data_neal054_0m
_symmetry_cell_setting           'Monoclinic''
_symmetry_space_group_name_H-M   'P2(1)'
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used      9203
_cell_measurement_theta_min        3.41
_cell_measurement_theta_max       63.78
_exptl_crystal_description       'plate'
_exptl_crystal_colour            'colourless'
_exptl_crystal_size_min          0.028
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_max          0.172
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_absorpt_correction_type   'none'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_source         ?
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_decay_%        ?
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
   -2.00   -1.00   -2.00    0.0120
    1.00    1.00    2.00    0.0420
   -1.00    3.00   -3.00    0.0660
    0.00    0.00    1.00    0.0130
    0.00    0.00   -1.00    0.0010
    3.00    1.00   -3.00    0.0420
    0.00    1.00    0.00    0.0790
   -1.00   -3.00    3.00    0.0190