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Observed Final Structure Factor Disagreeable restraintsRIGUDELUFLATNCSYISORSIMUSADISAME.Rx$9!@azVl~N               $Scr |%DH [D DZr%%%%% %  %  %  %  %  %  % ! % !%!%!%"%"%"%!%#%#%"%"%$%#%#%#%%%$,%$%$%%%%%!Y@%BW!@hK\+Es+?<[,BgBJ<a|B1aBgB1aBgB15 x$    B           (   a  ]^BJ"uo         E f       + E _       #   B 5                     , F ` }         !  J  ?        B    + E m    < #  BG    !            !5B;(                       .Nt8Q                !.Nt8Q                !c-d #                      6          &Sp.1M               L'_    I                       ; 7'x)****))**'&*)))*(((((()(((()))++*+(+++,,,,,,--+*'(( -SErTTSSKKKKK1KLJLNK I NK L NK U |K U U U T T T TSOOONOSTTTTUUU+KQQQQQKQQPPPPPOVVVUKOOOOOVVVUUUU!K!K!K!K"J"K"K"K"K%K(Q(Q)Q)R*R*R+R+R,V,V-R-Q-Q-Q-kK/W/W/V/W/W0K1O1T2T2T2T3T3T4I4T4T4T4T4T4T4O5O5I6I6I6T7I7I7I7O7K8T8K8K9L9L9L9L:L:K;K;S;K;R<L<M<M<K<Q<Q=P=P=P=P=P=O>V>V>V>T>T?S?S?K?K?K@K@O@O@N@K@SASASASARBKBWBWBWBTCKCLCLCKCLDLDKEHEAKFWFWFWFKFKGVGKGRGRGRGRHVIS ?  &      &            %    M  ]    )BQGE\[ {       7           T$tÍVS\$ CL$CH„t/CD„tZC8„t=C,„t[^fCH$čvC,D$ [^&C8$붍vCD$뙉ƍSD$S8$,$4$ڍSHƉ$VS\$ „„„$„„]„1C|„Cx„Ct„Cp„Cl„Ch„kCd„JC`„)C\„CX„CT„CP„CL„CH„cCD„BC@„!C<„C8„C4„C0„C,„|C(„[C$„:C „C„C„C„C„C „txC„t[C„t>„t"[^Ít&$bt&D$ [^C$뵍vC$똍vC $xC$[C$:C$C$C $C$$C($C,$tC0$SC4$2C8$C<$C@$CD$CH$CL$lCP$KCT$*CX$ C\$C`$Cd$Ch$Cl$dCp$CCt$"Cx$C|$$t&$t&$dt&$*t&$Ɖ$$$$$$S|$Sx$St$Sp$Sl$Sh$Sd$S`$S\$SX$ST$SP$SL$SH$SD$S@$S<$S8$S4$S0$S,$S($S$$S $S$S$S$S$S $S$S$$4$݉Ήƍt&뻉묉띉ƍt&늉xƐt&aOf;)fffff}kfWEf1f ffff\GfZT$t tfUWVSt$0l$8\$4>W G)xU9}(D(l|v\$,$u9u[^_]Ít&P[^_D)ʼn]͉l$ Il$ UWVS|$0t$8Pt$<$DD$ D$4D$\$4ŋAT49t7\$ &t 9u\$4QTq \$8D$ L9tt Ã9uMuPDT$4[^_]S(D$0t/D$D$$t\$4([ËL$4T$$T$([É$D$$$WVSt$ P4$\D$$D$NjB tBT9t&t 9ut[^_Í&[^_D$  tR$T$UWVSD$0t$8C;D$4~ V9r&D$$aC L$0CC sJ  1ɈC 1c ,L$4<*9JNJ9ȉL$ }UvC;D$ C}?ptWBuЋR$T$C;D$ C|;D$4T$4}%tEC9ЉC|ۋD$4CD$09t„t(D$0[^_]fCvD$0ˍ|l$0\$ |$4$UBH9J\$ uf$$D$$T$ @ uHL$@$D$VS$\$0T$4D$‹D$t$@D$ D$@$D$D$@$D$PTD$@tV4$@$[^fH;HfL‹@uЋ@ $D$@$[^Ív@$D$뙍&@t$4$D$ É4$$VS$t$0D$\$9t„t3CtD$$$[^ÐC4$D$܍&ÉÍD$$$UWVS,D$D\$Lt$@|$HP +P 9uP +P9D$T$l$;Z~l$\$,$T$D$DZ \HD BD9t t&t ƒ9uT$@t$,$,[^_])9&@4$D$ˍ&D$‹@t4l$몍‹@u@4$D$닍&@l$4$D$뷍vvÉ,$$Running\s+\d\s+threads\s+on\s+\d\s+processors %2 No (disagreeable) restraints found in .lst file.
List of most disagreeable restraints:  
%1%2
Observed Target Error Sigma Restraint
%3All restraint deviations are within their standard deviation.wR2 = %2% (all data) R1 [I > 4σI] = %1% (%9% all data)Highest peak = %3 eÅ-3 at %4 Å from %7      Deepest hole = %5 eÅ-3 at %6 Å from %8 wR2 = %7% Cycle %1 of %2 Final Cycle of %1

Running SHELXL %1

%2
%3 threads on %4 processors
Using %5 data and %6 of %7 parameters (ratio %8; %11 with restraints)
Rint = %9%, Rσ = %10%
Max. shift = %2 @ %3 Max. xyz shift = %2 Å @ %3 Max. ΔU = %5 @ %6 %1%2%3%6%7
GooF = %4 Restr. GooF = %5
%8
%2
Waiting for output from SHELXL... Flack X = %1 (Parsons' method) %2 (classical fit) Flack X = %1 (classical fit) Flack X = %1 (Parsons' method)
SHELXL failed to run! Please inspect the instructions. 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