; Chemistry of Materials  (2002) –; doi:

data_4000139
_journal_name_full               'Chemistry of Materials'
_journal_year                    2002
_chemical_formula_moiety         ' C2 H6 Sb6 Cu1 S10 N1 '
_chemical_formula_sum            'C2 H6 Cu N S10 Sb6'
_chemical_formula_weight         1158.72
_chemical_name_systematic
;
copper antimony sulfide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.4453(34)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2578(4)
_cell_length_b                   12.5259(5)
_cell_length_c                   13.9390(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      25.46
_cell_measurement_theta_min      21.01
_cell_volume                     1919.41
_diffrn_ambient_temperature      298
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.02
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6529
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    10.51
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' black'
_exptl_crystal_density_diffrn    4.01
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             2065.76
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.16
_refine_diff_density_min         -1.98
_refine_ls_goodness_of_fit_obs   0.9152
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3048
_refine_ls_R_factor_obs          0.0240
_refine_ls_shift/esd_max         0.012889
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.0310
_reflns_limit_h_max              12
_reflns_limit_h_min              -13
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_observed          3048
_reflns_number_total             3515
_reflns_observed_criterion       >3.00\s(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'NONE' changed to
'none' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '298K' was changed to '298' -
the value should be numeric and without a unit
designator.

'_diffrn_ambient_temperature' value '298K' was changed
to '298' - the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        ' C2 H6 Sb6 Cu1 S10 N1 '
_cod_database_code               4000139