PLATON(V-190698)-Run for: S1564A - J.Org.Met.Chem 551(1998)67-79 TIME: Jun 19 13:21:06 1998 ==================================================================================================================================== (C) 1980-98 A.L.Spek ============ ====================================================== Crystal Data ================================================================ ============ Input Cell (Lattice Type: P) Reduced Cell (Acta Cryst. (1976),A32,297) --------------------------------------------------------------------------------- ------------------------------------------------ a = 12.0908 Angstrom alpha = 90 Degree a = 12.091 alpha = 90.00 V = 2816.1 b = 13.6731 beta = 90 b = 13.673 beta = 90.00 c = 17.0346 gamma = 90 c = 17.035 gamma = 90.00 V = 2816.14 Cubic-Angstrom Lambda(MoKa) = 0.71073 Angstrom Niggli Values 146.190 186.950 290.180 0.000 0.000 0.000 ========================== =============================================== Orthogonalization Matrices ========================================================= ========================== (See e.g. J.D.Dunitz, Xray Analysis and Structure determination of Organic Molecules, Cornell Univ. Press, 1979, P236) (XO) ( 12.09080 0 0 ) (X) , (X) ( 0.08271 0 0 ) (XO) Orthogonal Axes AO, BO and CO (YO) = ( 0 13.67310 0 )*(Y) , (Y) = ( 0 0.07314 0 )*(YO) are defined as: (ZO) ( 0 0 17.03460 ) (Z) , (Z) ( 0 0 0.05870 ) (ZO) AO // A, CO // C*, BO // CO X AO ==================== ================================================= Space Group Symmetry ============================================================= ==================== (See e.g. G. Burns & A.M. Glazer, Space Groups for Solid State Scientists, Academic Press, 1990 or Int. Tables A) Space Group Pmmm No: 47, Laue: mmm [Hall: -P 2 2 ] Lattice Type oP, Centric, Orthorhombic, Order 8( 4) [Shoenflies: D2h^1 ] Nr ***** Symmetry Operation(s) ***** 1 X , Y , Z 2 - X , - Y , Z 3 X , - Y , - Z 4 - X , Y , - Z 5 - X , - Y , - Z 6 X , Y , - Z 7 - X , Y , Z 8 X , - Y , Z MULABS - Empirical Correction for Absorption Anisotropy. [c.f. R.H. Blessing, Acta Cryst. (1995), A51, 33-38] ==================================================================================================================================== Read = 6817 Measurements Accept = 6817 Measurements Absorption Correction Variables: ------------------------------------------------------------------------------------------------------------------------------------ L0max = 8 Even Order Limit of Spherical Harmonic Expansion Y(l,m); l = 0, Lmax; m = -l, +l L1max = 0 Odd Order Limit mu = 1.500 mm**-1 Linear Absorption Coefficient Radius = 0.400 mm Estimated Radius of "Equivalent" Spherical Crystal Tmin = 0.000 mm Estimated Minimum Crystal Thickness Tmax = 0.000 mm Estimated Maximum Crystal Thickness Umin = 0.500E-12 Eigenvalue Filtering Factor FSQMIN = 1.00 Minimum FSQ/Sigma(FSQ) for Measurements Used for YLM Fit FSQMAX = 0.100E+11 Maximum FSQ for Measurements Used for YLM Fit STLMIN = 0.00 9.00 0.50 Ang**-1 Min Sin(Theta)/Lambda For Reflections Used for YLM Fit STLMAX = 1.50 Ang**-1 Max Sin(Theta)/Lambda for Reflections Used for YLM FIT Amin = N3 = 0 " " " " Sin(TH)/L .LT. SMIN1 = 0.000 OR .GT. SMAX1 = 9.000 N6 = 0 " " " " Sigma(Ymeas) .LE. 0 N7 = 0 " " " " Ymeas .LT. -4*Sigma(Ymeas) Sin(Theta)/Lambda Limits of the Unique Data: Smin = 0.029, Smax = 0.649 A(-1) Reflection Data Selected for Empirical Absorption Fitting: ----------------------------------------------------------- Minimum Permitted sin(Theta/Lambda = 0.000 Ang**-1 Maximum Permitted sin(Theta)/Lambda) = 9.000 Ang**-1 Minimum Permitted FSQ/Sigma(FSQ) = 0.100E+01 Maximum Permitted FSQ = 0.100E+11 Minimum Permitted FSQ(I)/FSQ(Sample Median) = 0.500E+00 Maximum Permitted FSQ(I)/FSQ(Ssmple Median) = 0.150E+01 Nobs = 4708 Reflection Measurements Selected Nhkl = 2353 Unique Reflections Represented Fitted Absorption Anisotropy Expansion Coefficients A(l,m) ---------------------------------------------------------- FSQ(Corr) = FSQ(Meas)/A A = A(0)/(1 + SUM(L=1,Lmax) Sum(M=-L,L) A(L,M)*{0.5*[Y(L,M)(-U0) + Y(L,M)(U1)]}) A(0) = A(Sphere)(mu*R, Theta) Y(l,m)(U) = Y(l,m)(X, Y, Z) Where X, Y, and Z are Components of Unit Vectors Along theReverse Incident Beam, -U0, or the Diffracted Beam,U1, Referred to Crystal= Fixed Cartesian (i.e., Orthonormal) Axes. In Other Words, X, Y, and, Z are Direction Cosines of the Beam Direction Vectors. I L M A(l,m) Abs(A)/Sigma(A) - - - ------ --------------- 0 0 0 1.0 1 2 0 -0.103E-02 14.921 2 +1 0.138E-01 10.610 3 -1 0.290E-03 0.414 4 +2 -0.807E-03 3.309 5 -2 0.190E-02 21.467 6 4 0 -0.518E-03 15.810 7 +1 0.166E-01 13.697 8 -1 -0.105E-01 17.485 9 +2 -0.331E-02 2.804 10 -2 0.903E-02 24.500 11 +3 -0.383E-03 1.229 12 -3 0.364E-03 1.108 13 +4 0.768E-03 1.406 14 -4 -0.378E-03 1.138 15 6 0 -0.111E-03 16.952 16 +1 0.727E-02 16.576 17 -1 -0.175E-01 12.517 18 +2 0.411E-02 4.243 19 -2 0.142E-02 2.191 20 +3 -0.103E-03 0.832 21 -3 0.153E-03 1.069 22 +4 -0.135E-03 2.481 23 -4 -0.304E-03 5.590 24 +5 0.463E-05 1.065 25 -5 0.836E-05 1.602 26 +6 0.937E-05 1.095 27 -6 -0.844E-06 0.199 28 8 0 0.313E-04 15.918 29 +1 -0.172E-02 9.230 30 -1 -0.276E-03 2.625 31 +2 -0.124E-02 2.217 32 -2 0.117E-02 2.757 33 +3 0.592E-04 3.089 34 -3 -0.576E-04 2.365 35 +4 0.241E-04 2.632 36 -4 0.439E-04 4.501 37 +5 -0.669E-06 2.770 38 -5 0.112E-06 0.383 39 +6 0.506E-06 1.666 40 -6 -0.104E-05 3.727 41 +7 0.346E-08 0.247 42 -7 0.422E-07 3.191 43 +8 0.250E-07 1.298 44 -8 0.936E-08 0.585 N1 = 38 A(l,m) with abs(A)/Sigma(A) .GE. 1 N2 = 28 " " " .GE. 2 N3 = 19 " " " .GE. 3 = 0.58E+01 N0 = 14 Zeroed PseudoParameters From EigenValueFiltering UMIN = 0.500E-12 Minimum Permitted EigenValue MagnitudeExpressed as Fraction of the Maximum EigenValue Magnitude Statistics-of-Fit for the A(l,m) Expansion Coefficients: -------------------------------------------------------- Total Residual CHISQ = CHISQ(Y) + CHISQ(A) Fit Residual CHISQ(Y) = Sum(H) Sum(I=1,N) WHI*(YHI*AHI - )**2 = Sum(H) Sum(I=1,N) WHI*(YHI*AHI - Sum(J=1,N) WHJ*YHJ*AHJ/Sum(J=1,N) WHJ)**2 Restraint Residual CHISQ(A) = Sum(H) Sum(I=1,N) W*(AHI - 1)**2 Where here the AHI are Absorption Anisotropy Correction Factors, i.e., Reciprocal Transmission Factors, FSQ(Corr) = FSQ(Meas)*A A = 0.5*(A(-U0) + A(U1)) A(U) = 1 + Sum(L=1,Lmax) Sum(M=-L,L) A(L,M)*Y(L,M)(U) The Terms in THE Fit Residual are Weighted by WHI = 1/Sigma(YHI)**2, And the Restraint Residual has a Constant Weighting Factor W = 1.0/()**2>/), Which Serves to Adjust the Restraint Residual to a Scale Comparable to the Fit Residual. Standardized Root-MeanSquare Error-of-Fit Z = Sqrt(CHISQ(Y)/(NOBS - NHKL - NPAR)) Normalized Root-Mean-Square Error-of-Fit RW = Sqrt(CHISQ(Y)/Sum(WHI*(YHI*AHI)**2)) Standardized Root-Mean-Square Restraint Residual ZA = Sqrt(CHISQ(A)/(NOBS - NHKL)) Normalized Root-Mean-Square Restraint Residual RA = Sqrt(Sum((AHI - 1)**2)/Sum(AHI**2)) Numerical Statistics-of-Fit: N(obs) = 4708 Measurements N(hkl) = 2353 Unique Reflections N(par) = 44 Coefficients A(l,m) Z = 2.501 RW = 0.0463 For All AHI = 1 (N(par) = 0) Z = 1.589 RW = 0.0293 For the AHI From the Fitted A(L,M) ZA = 0.782 RA = 0.0257 Statistics of Fitted Anisotropy Correction Factors, AHI: Amin = 0.9108 Amax = 1.0730 Amean = 0.996 Rmsda = <(A - Amean)**2>**1/2 = 0.0252 H K L I(Obs) I(obs)/A Sig[I(obs)/A] A Sig(A) K0 and K1 Direction Cosines (Cartesian) ------------------------------------------------------------------------------------------------------------------------------------ 0 0 -1 55.00 135.09 4.97 0.4071 0.0023 0.5755 -0.8174 -0.0209 -0.5755 0.8173 -0.0209 0 0 -1 56.00 137.55 4.97 0.4071 0.0023 0.5746 -0.8178 -0.0209 -0.5747 0.8178 -0.0209 0 0 -2 1432.00 3514.80 33.46 0.4074 0.0023 0.5742 -0.8173 -0.0417 -0.5743 0.8172 -0.0417 0 0 -2 1447.00 3551.62 33.61 0.4074 0.0023 0.5750 -0.8168 -0.0417 -0.5751 0.8168 -0.0417 0 0 -3 14.00 34.32 7.36 0.4079 0.0023 0.5736 -0.8165 -0.0626 -0.5737 0.8163 -0.0626 0 0 -3 18.00 44.13 7.36 0.4079 0.0023 0.5744 -0.8160 -0.0626 -0.5745 0.8158 -0.0626 0 0 -4 7000.00 17132.30 128.10 0.4086 0.0022 0.5735 -0.8148 -0.0835 -0.5737 0.8146 -0.0835 0 0 -4 7346.00 17979.14 131.24 0.4086 0.0022 0.5725 -0.8154 -0.0835 -0.5725 0.8153 -0.0835 0 0 -5 13.00 31.75 12.21 0.4094 0.0022 0.5722 -0.8132 -0.1043 -0.5724 0.8130 -0.1043 0 0 -5 19.00 46.40 12.21 0.4094 0.0022 0.5713 -0.8138 -0.1044 -0.5714 0.8136 -0.1043 0 0 -6 13964.00 34018.64 579.60 0.4105 0.0021 0.5699 -0.8119 -0.1252 -0.5701 0.8117 -0.1252 0 0 -6 14347.00 34951.80 235.67 0.4105 0.0021 0.5708 -0.8113 -0.1252 -0.5711 0.8110 -0.1252 0 0 -7 -6.00 -14.57 12.15 0.4117 0.0020 0.5692 -0.8090 -0.1460 -0.5695 0.8086 -0.1460 0 0 -7 2.00 4.86 12.15 0.4117 0.0020 0.5683 -0.8095 -0.1461 -0.5684 0.8093 -0.1461 0 0 -8 9.00 21.79 12.11 0.4130 0.0020 0.5673 -0.8063 -0.1669 -0.5676 0.8059 -0.1669 0 0 -8 9.00 21.79 12.11 0.4130 0.0020 0.5664 -0.8068 -0.1670 -0.5665 0.8066 -0.1670 0 0 -9 -5.00 -12.06 14.47 0.4145 0.0019 0.5642 -0.8038 -0.1878 -0.5644 0.8035 -0.1878 0 0 -9 8.00 19.30 12.06 0.4145 0.0019 0.5651 -0.8032 -0.1878 -0.5654 0.8028 -0.1878 0 0-10 9508.00 22846.88 194.13 0.4162 0.0018 0.5626 -0.7998 -0.2086 -0.5630 0.7993 -0.2086 0 0-10 9651.00 23190.09 192.69 0.4162 0.0018 0.5618 -0.8003 -0.2087 -0.5620 0.8000 -0.2087 0 0-11 6.00 14.36 16.75 0.4179 0.0018 0.5600 -0.7959 -0.2295 -0.5604 0.7954 -0.2295 0 0-11 8.00 19.14 16.75 0.4179 0.0018 0.5591 -0.7965 -0.2295 -0.5595 0.7962 -0.2295 0 0-12 952.00 2268.00 62.65 0.4198 0.0017 0.5570 -0.7917 -0.2504 -0.5575 0.7912 -0.2504 0 0-12 986.00 2349.01 62.70 0.4198 0.0017 0.5562 -0.7922 -0.2504 -0.5568 0.7917 -0.2504 0 0-13 7.00 16.60 21.34 0.4217 0.0017 0.5535 -0.7873 -0.2712 -0.5540 0.7868 -0.2712 0 0-13 13.00 30.83 21.34 0.4217 0.0017 0.5526 -0.7879 -0.2711 -0.5532 0.7874 -0.2711 0 0-14 2531.00 5973.96 111.12 0.4237 0.0017 0.5491 -0.7830 -0.2920 -0.5497 0.7824 -0.2920 0 0-14 2563.00 6049.40 108.89 0.4237 0.0017 0.5499 -0.7823 -0.2921 -0.5505 0.7818 -0.2921 0 0-15 -11.00 -25.84 21.14 0.4257 0.0017 0.5465 -0.7768 -0.3129 -0.5471 0.7759 -0.3129 0 0-15 3.00 7.05 25.84 0.4257 0.0017 0.5455 -0.7773 -0.3130 -0.5460 0.7769 -0.3130 0 0-16 2318.00 5418.01 109.55 0.4278 0.0017 0.5424 -0.7710 -0.3338 -0.5430 0.7701 -0.3338 0 0-16 2334.00 5455.37 111.86 0.4278 0.0017 0.5414 -0.7715 -0.3338 -0.5419 0.7710 -0.3338 0 0-17 12.00 27.91 23.26 0.4300 0.0016 0.5370 -0.7653 -0.3547 -0.5376 0.7647 -0.3547 0 0-17 20.00 46.52 23.26 0.4300 0.0017 0.5380 -0.7647 -0.3546 -0.5387 0.7638 -0.3546 0 0-18 413.00 955.80 53.35 0.4321 0.0017 0.5333 -0.7581 -0.3755 -0.5340 0.7571 -0.3755 0 0-18 502.00 1161.77 58.03 0.4321 0.0016 0.5322 -0.7586 -0.3756 -0.5329 0.7580 -0.3756 0 0-19 -26.00 -59.87 29.94 0.4342 0.0016 0.5275 -0.7512 -0.3964 -0.5284 0.7506 -0.3964 0 0-19 2.00 4.61 27.63 0.4342 0.0016 0.5282 -0.7510 -0.3963 -0.5290 0.7499 -0.3963 0 0-20 1671.00 3829.13 108.67 0.4364 0.0017 0.5229 -0.7434 -0.4172 -0.5236 0.7423 -0.4172 0 0-20 1772.00 4060.56 115.60 0.4364 0.0016 0.5224 -0.7435 -0.4173 -0.5231 0.7425 -0.4173 0 0-21 16.00 36.48 29.64 0.4386 0.0017 0.5167 -0.7348 -0.4386 -0.5168 0.7349 -0.4386 0 0-21 23.00 52.45 29.64 0.4385 0.0017 0.5168 -0.7355 -0.4381 -0.5176 0.7347 -0.4381 0 0-22 989.00 2244.35 93.43 0.4407 0.0017 0.5106 -0.7270 -0.4590 -0.5115 0.7261 -0.4590 0 -1 0 12.00 29.62 4.94 0.4051 0.0019 0.5937 -0.0260 0.8047 -0.5937 -0.0260 -0.8048 0 1 0 13.00 30.02 4.62 0.4331 0.0024 0.3987 0.0260 -0.9162 -0.3987 0.0260 0.9163 0 1 -1 5.00 11.09 4.44 0.4509 0.0023 0.4707 -0.5252 -0.7087 -0.4707 0.5773 0.6670 0 -1 -1 20.00 47.60 4.77 0.4201 0.0019 0.6181 -0.5170 0.5919 -0.6181 0.4649 -0.6337 0 -1 -2 4.00 9.77 7.33 0.4094 0.0018 0.6113 -0.6959 0.3762 -0.6114 0.6437 -0.4597 0 1 -2 9.00 20.22 6.74 0.4451 0.0023 0.5125 -0.7012 -0.4954 -0.5126 0.7532 0.4120 0 -1 -3 8.00 19.70 7.39 0.4062 0.0020 0.6031 -0.7595 0.2425 -0.6033 0.7073 -0.3677 0 1 -3 9.00 20.72 6.91 0.4344 0.0023 0.5316 -0.7533 -0.3867 -0.5317 0.8053 0.2616 0 1 -4 -1.00 -2.34 9.36 0.4271 0.0021 0.5410 -0.7724 -0.3325 -0.5411 0.8243 0.1656 0 -1 -4 7.00 17.27 9.87 0.4054 0.0021 0.5968 -0.7872 0.1540 -0.5970 0.7349 -0.3210 0 1 -5 12.00 28.36 11.82 0.4231 0.0020 0.5464 -0.7797 -0.3054 -0.5465 0.8317 0.0967 0 -1 -5 14.00 34.51 12.33 0.4056 0.0021 0.5917 -0.8009 0.0891 -0.5919 0.7486 -0.2978 0 1 -6 1.00 2.38 11.88 0.4210 0.0020 0.5493 -0.7823 -0.2933 -0.5494 0.8342 0.0429 0 -1 -6 3.00 7.38 9.84 0.4065 0.0021 0.5874 -0.8081 0.0375 -0.5877 0.7557 -0.2879 0 1 -7 1.00 2.38 11.90 0.4201 0.0019 0.5507 -0.7825 -0.2902 -0.5508 0.8343 -0.0020 0 -1 -7 8.00 19.63 9.81 0.4076 0.0020 0.5836 -0.8118 -0.0060 -0.5839 0.7593 -0.2862 0 -1 -8 5.00 12.22 12.22 0.4090 0.0020 0.5800 -0.8132 -0.0441 -0.5803 0.7607 -0.2897 0 1 -8 36.00 85.72 21.43 0.4200 0.0019 0.5511 -0.7812 -0.2928 -0.5513 0.8330 -0.0411 0 -1 -9 -5.00 -12.18 14.61 0.4107 0.0019 0.5764 -0.8131 -0.0787 -0.5768 0.7606 -0.2969 0 1 -9 -4.00 -9.52 14.27 0.4204 0.0018 0.5508 -0.7790 -0.2994 -0.5509 0.8308 -0.0762 0 -1-10 1.00 2.42 16.97 0.4124 0.0018 0.5729 -0.8119 -0.1106 -0.5733 0.7594 -0.3067 0 1-10 6.00 14.25 14.25 0.4212 0.0018 0.5497 -0.7760 -0.3087 -0.5499 0.8278 -0.1086 0 -1-11 0.00 0.00 16.89 0.4144 0.0018 0.5693 -0.8098 -0.1407 -0.5697 0.7572 -0.3185 0 1-11 1.00 2.37 18.95 0.4222 0.0017 0.5483 -0.7725 -0.3201 -0.5486 0.8242 -0.1389 0 1-12 -10.00 -23.61 21.25 0.4235 0.0017 0.5463 -0.7683 -0.3330 -0.5469 0.8199 -0.1678 0 -1-12 8.00 19.21 19.21 0.4164 0.0017 0.5656 -0.8070 -0.1692 -0.5660 0.7544 -0.3316 0 -1-13 4.00 9.56 19.11 0.4185 0.0017 0.5613 -0.8038 -0.1966 -0.5619 0.7511 -0.3459 0 1-13 12.00 28.24 18.83 0.4250 0.0017 0.5435 -0.7642 -0.3470 -0.5440 0.8158 -0.1953 0 -1-14 -5.00 -11.88 23.77 0.4208 0.0016 0.5572 -0.7997 -0.2232 -0.5578 0.7470 -0.3611 0 1-14 12.00 28.13 21.10 0.4266 0.0017 0.5407 -0.7592 -0.3620 -0.5412 0.8108 -0.2220 0 -1-15 -11.00 -26.00 21.27 0.4231 0.0016 0.5533 -0.7949 -0.2490 -0.5539 0.7419 -0.3769 0 1-15 -10.00 -23.35 23.35 0.4283 0.0017 0.5378 -0.7536 -0.3778 -0.5383 0.8052 -0.2481 0 1-16 -20.00 -46.51 27.90 0.4300 0.0016 0.5342 -0.7477 -0.3941 -0.5347 0.7993 -0.2735 0 -1-16 18.00 42.31 25.86 0.4254 0.0016 0.5487 -0.7897 -0.2742 -0.5493 0.7368 -0.3934 0 -1-17 -10.00 -23.38 25.72 0.4278 0.0016 0.5438 -0.7841 -0.2990 -0.5445 0.7311 -0.4103 0 1-17 -6.00 -13.89 25.47 0.4319 0.0016 0.5302 -0.7414 -0.4110 -0.5308 0.7930 -0.2984 0 -1-18 -24.00 -55.79 25.57 0.4302 0.0016 0.5387 -0.7779 -0.3234 -0.5394 0.7248 -0.4276 0 1-18 15.00 34.58 25.36 0.4337 0.0016 0.5259 -0.7347 -0.4283 -0.5266 0.7862 -0.3228 0 -1-19 -1.00 -2.31 30.05 0.4326 0.0016 0.5333 -0.7713 -0.3474 -0.5341 0.7181 -0.4453 0 1-19 6.00 13.77 29.84 0.4356 0.0016 0.5216 -0.7273 -0.4458 -0.5225 0.7787 -0.3469 0 1-20 -10.00 -22.86 36.57 0.4375 0.0016 0.5167 -0.7194 -0.4638 -0.5177 0.7707 -0.3708 0 -1-20 -3.00 -6.90 32.19 0.4349 0.0016 0.5276 -0.7641 -0.3712 -0.5285 0.7109 -0.4633 0 -1-21 -32.00 -73.17 34.30 0.4374 0.0017 0.5211 -0.7560 -0.3952 -0.5214 0.7039 -0.4819 0 1-21 5.00 11.38 34.13 0.4395 0.0016 0.5116 -0.7114 -0.4819 -0.5124 0.7626 -0.3943 0 1-22 6.00 13.59 36.25 0.4414 0.0017 0.5057 -0.7028 -0.5003 -0.5066 0.7540 -0.4176 0 -2 0 8403.00 20725.02 289.75 0.4055 0.0019 0.5931 -0.0521 0.8039 -0.5931 -0.0521 -0.8040 0 2 0 9283.00 21425.36 291.49 0.4333 0.0023 0.3983 0.0521 -0.9153 -0.3983 0.0521 0.9154 0 -2 -1 1834.00 4347.19 39.95 0.4219 0.0018 0.6127 -0.3453 0.7109 -0.6128 0.2411 -0.7527 0 2 -1 1994.00 4382.56 40.82 0.4550 0.0022 0.4353 -0.2820 -0.8547 -0.4353 0.3862 0.8130 0 -2 -2 5542.00 13194.34 87.55 0.4200 0.0018 0.6170 -0.5423 0.5700 -0.6171 0.4380 -0.6535 0 2 -2 5921.00 13131.08 93.17 0.4509 0.0022 0.4699 -0.4983 -0.7284 -0.4700 0.6024 0.6450 0 2 -3 15.00 33.42 11.14 0.4488 0.0022 0.4945 -0.6131 -0.6159 -0.4946 0.7171 0.4908 0 -2 -3 41.00 99.11 12.09 0.4137 0.0017 0.6140 -0.6554 0.4392 -0.6142 0.5511 -0.5646 0 -2 -4 5511.00 13442.07 100.18 0.4100 0.0017 0.6090 -0.7195 0.3329 -0.6092 0.6152 -0.5000 0 2 -4 5883.00 13248.91 102.17 0.4440 0.0022 0.5102 -0.6728 -0.5357 -0.5102 0.7769 0.3688 0 -2 -5 320.00 783.96 24.74 0.4082 0.0018 0.6038 -0.7573 0.2477 -0.6040 0.6529 -0.4564 0 2 -5 331.00 755.01 23.09 0.4384 0.0021 0.5207 -0.7046 -0.4819 -0.5207 0.8086 0.2733 0 -2 -6 9440.00 23165.57 167.98 0.4075 0.0018 0.5988 -0.7805 0.1778 -0.5991 0.6761 -0.4283 0 2 -6 10099.00 23285.32 165.05 0.4337 0.0020 0.5276 -0.7222 -0.4472 -0.5276 0.8262 0.1968 0 -2 -7 592.00 1452.54 37.37 0.4076 0.0018 0.5942 -0.7952 0.1189 -0.5945 0.6907 -0.4111 0 2 -7 659.00 1531.29 37.76 0.4304 0.0019 0.5320 -0.7320 -0.4255 -0.5321 0.8359 0.1334 0 2 -8 30.00 70.06 14.01 0.4282 0.0018 0.5347 -0.7371 -0.4130 -0.5348 0.8410 0.0792 0 -2 -8 40.00 98.00 17.16 0.4082 0.0018 0.5897 -0.8045 0.0678 -0.5901 0.6999 -0.4017 0 -2 -9 3089.00 7548.87 96.06 0.4092 0.0018 0.5854 -0.8102 0.0224 -0.5858 0.7056 -0.3981 0 2 -9 3393.00 7946.01 96.79 0.4270 0.0017 0.5362 -0.7393 -0.4072 -0.5363 0.8432 0.0316 0 -2-10 7800.00 18997.99 170.49 0.4106 0.0017 0.5812 -0.8133 -0.0188 -0.5816 0.7087 -0.3987 0 2-10 8241.00 19320.92 170.36 0.4265 0.0017 0.5368 -0.7394 -0.4061 -0.5371 0.8433 -0.0111 0 -2-11 405.00 982.49 39.02 0.4122 0.0017 0.5769 -0.8146 -0.0566 -0.5773 0.7100 -0.4026 0 2-11 469.00 1099.36 42.41 0.4266 0.0017 0.5365 -0.7382 -0.4087 -0.5368 0.8420 -0.0502 0 -2-12 1828.00 4414.51 86.28 0.4141 0.0016 0.5726 -0.8145 -0.0919 -0.5730 0.7098 -0.4090 0 2-12 1963.00 4595.92 86.09 0.4271 0.0016 0.5356 -0.7357 -0.4142 -0.5361 0.8394 -0.0866 0 -2-13 517.00 1242.36 53.08 0.4161 0.0016 0.5678 -0.8134 -0.1252 -0.5684 0.7087 -0.4174 0 2-13 582.00 1359.98 51.66 0.4279 0.0016 0.5336 -0.7330 -0.4218 -0.5340 0.8366 -0.1204 0 -2-14 406.00 970.46 47.95 0.4184 0.0016 0.5632 -0.8111 -0.1569 -0.5639 0.7064 -0.4274 0 2-14 438.00 1020.91 46.77 0.4290 0.0016 0.5315 -0.7290 -0.4312 -0.5320 0.8326 -0.1527 0 -2-15 198.00 470.64 38.07 0.4207 0.0016 0.5589 -0.8077 -0.1873 -0.5595 0.7027 -0.4387 0 2-15 254.00 590.27 41.89 0.4303 0.0016 0.5293 -0.7241 -0.4420 -0.5298 0.8278 -0.1838 0 -2-16 2047.00 4837.66 105.54 0.4231 0.0016 0.5539 -0.8038 -0.2166 -0.5546 0.6988 -0.4511 0 2-16 2222.00 5146.63 106.00 0.4317 0.0016 0.5263 -0.7188 -0.4540 -0.5268 0.8225 -0.2136 0 -2-17 24.00 56.38 28.19 0.4257 0.0016 0.5487 -0.7992 -0.2450 -0.5494 0.6941 -0.4644 0 2-17 64.00 147.71 27.70 0.4333 0.0016 0.5228 -0.7130 -0.4669 -0.5234 0.8167 -0.2424 0 -2-18 42.00 98.08 25.69 0.4282 0.0016 0.5433 -0.7940 -0.2727 -0.5440 0.6888 -0.4784 0 2-18 68.00 156.36 27.60 0.4349 0.0016 0.5190 -0.7067 -0.4807 -0.5196 0.8103 -0.2704 0 -2-19 784.00 1819.83 76.91 0.4308 0.0016 0.5376 -0.7881 -0.2998 -0.5384 0.6829 -0.4931 0 2-19 801.00 1834.74 75.90 0.4366 0.0016 0.5151 -0.6996 -0.4951 -0.5159 0.8030 -0.2977 0 -2-20 754.00 1739.66 76.42 0.4334 0.0016 0.5317 -0.7816 -0.3263 -0.5325 0.6763 -0.5083 0 2-20 824.00 1879.99 82.44 0.4383 0.0016 0.5105 -0.6920 -0.5100 -0.5115 0.7953 -0.3244 0 2-21 282.00 640.76 59.13 0.4401 0.0016 0.5057 -0.6842 -0.5256 -0.5065 0.7875 -0.3506 0 -2-21 295.00 676.51 52.81 0.4361 0.0017 0.5249 -0.7742 -0.3528 -0.5251 0.6700 -0.5243 0 3 0 2.00 4.61 9.22 0.4336 0.0022 0.3977 0.0781 -0.9137 -0.3976 0.0781 0.9138 0 -3 0 3.00 7.39 9.85 0.4060 0.0018 0.5920 -0.0781 0.8025 -0.5921 -0.0781 -0.8027 0 -3 -1 1.00 2.40 9.58 0.4175 0.0017 0.6071 -0.2822 0.7430 -0.6072 0.1259 -0.7849 0 3 -1 2.00 4.42 8.83 0.4528 0.0021 0.4216 -0.1549 -0.8931 -0.4216 0.3111 0.8515 0 -3 -2 -12.00 -28.40 9.47 0.4225 0.0017 0.6141 -0.4476 0.6498 -0.6143 0.2913 -0.7335 0 3 -2 -9.00 -19.85 11.03 0.4535 0.0020 0.4468 -0.3413 -0.8267 -0.4468 0.4975 0.7434 0 3 -3 -1.00 -2.22 11.08 0.4511 0.0021 0.4682 -0.4710 -0.7477 -0.4681 0.6272 0.6226 0 -3 -3 2.00 4.76 9.53 0.4198 0.0017 0.6153 -0.5670 0.5473 -0.6154 0.4106 -0.6727 0 -3 -4 4.00 9.62 12.02 0.4158 0.0016 0.6131 -0.6486 0.4504 -0.6133 0.4922 -0.6175 0 3 -4 5.00 11.13 11.13 0.4493 0.0021 0.4852 -0.5549 -0.6758 -0.4852 0.7110 0.5089 0 3 -5 -9.00 -20.16 11.20 0.4464 0.0020 0.4979 -0.6083 -0.6181 -0.4979 0.7644 0.4095 0 -3 -5 2.00 4.84 12.11 0.4129 0.0016 0.6095 -0.7038 0.3641 -0.6098 0.5473 -0.5729 0 -3 -6 -1.00 -2.43 12.17 0.4110 0.0016 0.6052 -0.7415 0.2887 -0.6055 0.5849 -0.5392 0 3 -6 3.00 6.78 11.30 0.4425 0.0020 0.5071 -0.6424 -0.5746 -0.5071 0.7984 0.3243 0 3 -7 -6.00 -13.68 13.68 0.4387 0.0018 0.5137 -0.6643 -0.5430 -0.5137 0.8203 0.2509 0 -3 -7 6.00 14.63 12.20 0.4100 0.0016 0.6008 -0.7675 0.2226 -0.6011 0.6109 -0.5148 0 -3 -8 -7.00 -17.09 14.65 0.4097 0.0016 0.5962 -0.7855 0.1641 -0.5966 0.6289 -0.4980 0 3 -8 7.00 16.08 13.78 0.4355 0.0017 0.5183 -0.6783 -0.5208 -0.5183 0.8343 0.1870 0 -3 -9 -6.00 -14.64 14.64 0.4099 0.0016 0.5917 -0.7981 0.1116 -0.5921 0.6414 -0.4873 0 3 -9 12.00 27.71 16.16 0.4331 0.0017 0.5213 -0.6871 -0.5060 -0.5214 0.8431 0.1304 0 -3-10 3.00 7.31 17.05 0.4106 0.0016 0.5872 -0.8066 0.0639 -0.5876 0.6499 -0.4814 0 3-10 9.00 20.86 18.54 0.4314 0.0016 0.5233 -0.6921 -0.4969 -0.5236 0.8481 0.0797 0 -3-11 -7.00 -17.00 17.00 0.4117 0.0016 0.5826 -0.8123 0.0202 -0.5831 0.6555 -0.4794 0 3-11 6.00 13.94 18.58 0.4305 0.0016 0.5242 -0.6947 -0.4924 -0.5245 0.8506 0.0335 0 3-12 10.00 23.24 20.92 0.4302 0.0016 0.5242 -0.6952 -0.4915 -0.5247 0.8509 -0.0092 0 -3-12 14.00 33.89 19.37 0.4131 0.0015 0.5779 -0.8156 -0.0205 -0.5784 0.6588 -0.4805 0 3-13 10.00 23.23 20.91 0.4304 0.0015 0.5230 -0.6947 -0.4936 -0.5235 0.8504 -0.0485 0 -3-13 15.00 36.16 21.70 0.4148 0.0015 0.5729 -0.8173 -0.0585 -0.5735 0.6606 -0.4841 0 -3-14 -6.00 -14.39 21.59 0.4168 0.0015 0.5680 -0.8174 -0.0945 -0.5686 0.6606 -0.4898 0 3-14 32.00 74.26 20.89 0.4309 0.0016 0.5217 -0.6926 -0.4980 -0.5222 0.8483 -0.0858 0 -3-15 -4.00 -9.55 23.86 0.4190 0.0015 0.5633 -0.8160 -0.1289 -0.5640 0.6589 -0.4971 0 3-15 3.00 6.95 20.84 0.4318 0.0016 0.5202 -0.6891 -0.5043 -0.5207 0.8449 -0.1215 0 -3-16 2.00 4.75 23.73 0.4214 0.0015 0.5581 -0.8137 -0.1618 -0.5588 0.6566 -0.5060 0 3-16 20.00 46.20 23.10 0.4329 0.0016 0.5177 -0.6851 -0.5123 -0.5182 0.8408 -0.1553 0 3-17 -8.00 -18.43 23.03 0.4341 0.0016 0.5148 -0.6802 -0.5216 -0.5154 0.8359 -0.1877 0 -3-17 3.00 7.08 23.59 0.4239 0.0016 0.5526 -0.8106 -0.1935 -0.5533 0.6534 -0.5160 0 -3-18 -4.00 -9.38 25.79 0.4266 0.0016 0.5469 -0.8065 -0.2241 -0.5477 0.6493 -0.5270 0 3-18 10.00 22.96 25.26 0.4355 0.0016 0.5114 -0.6747 -0.5320 -0.5120 0.8304 -0.2190 0 3-19 1.00 2.29 27.46 0.4371 0.0016 0.5079 -0.6682 -0.5433 -0.5088 0.8238 -0.2493 0 -3-19 6.00 13.98 27.96 0.4293 0.0016 0.5410 -0.8017 -0.2539 -0.5418 0.6444 -0.5390 0 -3-20 -3.00 -6.94 32.41 0.4320 0.0016 0.5348 -0.7961 -0.2829 -0.5357 0.6388 -0.5517 0 3-20 -3.00 -6.84 34.19 0.4387 0.0016 0.5038 -0.6612 -0.5556 -0.5047 0.8166 -0.2789 0 -3-21 -6.00 -13.80 32.20 0.4348 0.0017 0.5278 -0.7896 -0.3118 -0.5281 0.6333 -0.5653 0 3-21 17.00 38.60 31.79 0.4404 0.0017 0.4993 -0.6539 -0.5685 -0.5001 0.8092 -0.3076 0 -4 0 166.00 408.13 17.29 0.4067 0.0017 0.5906 -0.1042 0.8005 -0.5907 -0.1042 -0.8008 0 4 0 184.00 423.87 18.54 0.4341 0.0021 0.3967 0.1042 -0.9115 -0.3966 0.1042 0.9117 0 -4 -1 3295.00 7945.53 73.73 0.4147 0.0015 0.6026 -0.2596 0.7548 -0.6027 0.0512 -0.7968 0 4 -1 3637.00 8094.94 73.66 0.4493 0.0020 0.4143 -0.0734 -0.9068 -0.4142 0.2817 0.8652 0 -4 -2 3170.00 7536.33 72.20 0.4206 0.0016 0.6098 -0.3960 0.6865 -0.6100 0.1876 -0.7702 0 4 -2 3421.00 7536.56 71.19 0.4539 0.0019 0.4332 -0.2284 -0.8715 -0.4332 0.4367 0.7883 0 -4 -3 3086.00 7320.23 74.10 0.4216 0.0016 0.6128 -0.5063 0.6064 -0.6130 0.2979 -0.7319 0 4 -3 3470.00 7663.37 75.68 0.4528 0.0019 0.4508 -0.3515 -0.8205 -0.4507 0.5597 0.6954 0 -4 -4 1520.00 3622.56 51.83 0.4196 0.0016 0.6128 -0.5911 0.5240 -0.6130 0.3826 -0.6912 0 4 -4 1645.00 3645.95 55.50 0.4512 0.0020 0.4663 -0.4428 -0.7658 -0.4663 0.6510 0.5990 0 -4 -5 776.00 1860.68 41.31 0.4171 0.0015 0.6109 -0.6544 0.4450 -0.6112 0.4459 -0.6538 0 4 -5 805.00 1790.88 38.61 0.4495 0.0019 0.4791 -0.5084 -0.7156 -0.4790 0.7165 0.5071 0 -4 -6 1663.00 4008.11 64.22 0.4149 0.0015 0.6078 -0.7014 0.3716 -0.6081 0.4928 -0.6222 0 4 -6 1870.00 4183.00 62.94 0.4470 0.0019 0.4891 -0.5547 -0.6731 -0.4891 0.7628 0.4228 0 -4 -7 4126.00 9981.52 105.10 0.4134 0.0014 0.6040 -0.7361 0.3045 -0.6044 0.5274 -0.5968 0 4 -7 4474.00 10077.45 105.28 0.4440 0.0018 0.4969 -0.5873 -0.6389 -0.4969 0.7954 0.3469 0 4 -8 12.00 27.23 18.15 0.4408 0.0017 0.5027 -0.6101 -0.6124 -0.5027 0.8182 0.2787 0 -4 -8 25.00 60.62 14.55 0.4124 0.0014 0.5999 -0.7618 0.2433 -0.6003 0.5531 -0.5774 0 -4 -9 2954.00 7170.61 97.99 0.4120 0.0015 0.5956 -0.7808 0.1873 -0.5960 0.5721 -0.5631 0 4 -9 3296.00 7526.97 97.77 0.4379 0.0016 0.5071 -0.6258 -0.5925 -0.5073 0.8338 0.2171 0 -4-10 415.00 1007.25 41.42 0.4120 0.0015 0.5911 -0.7948 0.1359 -0.5915 0.5860 -0.5534 0 4-10 458.00 1051.45 41.50 0.4356 0.0016 0.5100 -0.6367 -0.5783 -0.5102 0.8447 0.1611 T(min) = 0.3900, T(max) = 0.4595