# 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    -0.0429351
_diffrn_orient_matrix_UB_21    0.0548712
_diffrn_orient_matrix_UB_31    0.0988549
_diffrn_orient_matrix_UB_12    0.0534070
_diffrn_orient_matrix_UB_22    0.0843265
_diffrn_orient_matrix_UB_32    0.0248290
_diffrn_orient_matrix_UB_13    -0.0324670
_diffrn_orient_matrix_UB_23    0.0470303
_diffrn_orient_matrix_UB_33    -0.0322892


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    'P1'
_chemical_formula_sum         'C16 H24 N10 O6 S4 Co'
_chemical_name_common 'Co(MIMT)4(NO3)2 - Nana'
_symmetry_cell_setting            'triclinic'


_cell_length_a   8.96050(40)
_cell_length_b  10.72790(70)
_cell_length_c  15.59130(100)
_cell_angle_alpha   100.9135(29)
_cell_angle_beta     91.0827(42)
_cell_angle_gamma   111.9831(37)

_cell_volume    1357.999(144)
_cell_measurement_reflns_used     9967
_cell_measurement_theta_min        0.998
_cell_measurement_theta_max        25.350


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

