A novel antimony sulfide templated by ethylenediammonium
Tan, K.; Ko, Y.; Parise, J.B.; Acta Crystallographica Section C 50 (1994) 1439–1442; doi:10.1107/S010827019400154X

data_2010015
_publ_section_title
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 A novel antimony sulfide templated by ethylenediammonium
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1439
_journal_page_last               1442
_journal_paper_doi               10.1107/S010827019400154X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C2 H10 N2 S13 Sb8'
_chemical_formula_weight         1452.90
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.874(4)
_cell_length_b                   10.058(3)
_cell_length_c                   11.338(4)
_cell_measurement_reflns_used    12
_cell_measurement_temperature    294
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12
_cell_volume                     2608.5(13)
_diffrn_measurement_device       Picker
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5529
_diffrn_reflns_theta_max         33.57
_diffrn_standards_decay_%        1.34
_diffrn_standards_interval_count 30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    9.19
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_exptl_absorpt_correction_T_min  0.2320
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            'Dark red'
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.167
_exptl_crystal_size_min          0.1568
_refine_diff_density_max         3.9
_refine_diff_density_min         -5.6
_refine_ls_extinction_coef       0.38E-4(2)
_refine_ls_extinction_method     'Isotropic secondary'
_refine_ls_goodness_of_fit_obs   1.75
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     121
_refine_ls_number_reflns         3634
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(I) + 0.0009I^2^]^-1/2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          3665
_reflns_number_total             3665
_reflns_observed_criterion       I>0.0
_cod_data_source_file            bk1004.cif
_cod_data_source_block           bk1004_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = [\s^2^(I) +
0.0009I^2^]^-1/2^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(I) + 0.0009I^2^]^-1/2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        2609(2)
_cod_database_code               2010015