# processed by $Id: maxuscif.py,v 1.26 2004/08/26 09:39:52 hooft Exp $

data_collect

_diffrn_measurement_device_type  'KappaCCD'
_diffrn_measurement_device  '95mm CCD camera on κ-goniostat'
_diffrn_detector_area_resol_mean    9
_diffrn_radiation_monochromator        'horizonally mounted graphite crystal'
_computing_data_collection 'Collect (Bruker AXS BV, 1997-2004)'
_diffrn_measurement_method       'CCD'

# Orientation matrix from 'scale_all.out'
_diffrn_orient_matrix_type 'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11    0.0724231
_diffrn_orient_matrix_UB_21    -0.0095245
_diffrn_orient_matrix_UB_31    -0.0009643
_diffrn_orient_matrix_UB_12    -0.0006906
_diffrn_orient_matrix_UB_22    0.0036891
_diffrn_orient_matrix_UB_32    -0.0883040
_diffrn_orient_matrix_UB_13    0.0390718
_diffrn_orient_matrix_UB_23    0.0914338
_diffrn_orient_matrix_UB_33    0.0035142


loop_
    _reflns_scale_group_code
    _reflns_scale_meas_F
          1 1.0


loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_id
   0.71073 all
_diffrn_radiation_type 'Mo K-alpha'
_symmetry_space_group_name_H-M    'C2'
_chemical_formula_sum         'C8 H12 N6 O6 S2 Co'
_chemical_name_common 'Co(MIMT)2(NO3)2 - Chem242 - xtal "a"'
_symmetry_cell_setting            'monoclinic'


_cell_length_a  14.21270(50)
_cell_length_b  11.31430(50)
_cell_length_c  10.43560(50)
_cell_angle_alpha    90.0000
_cell_angle_beta    105.6069(24)
_cell_angle_gamma    90.0000

_cell_volume    1616.243(121)
_cell_measurement_reflns_used     5305
_cell_measurement_theta_min        0.998
_cell_measurement_theta_max        27.485


_computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction 'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'


