Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P–S π bonding
Gallacher, A. C.; Pinkerton, A. A.; Acta Crystallographica Section C 49 (1993) 1793–1796; doi:10.1107/S010827019300366X

data_2001352
_publ_section_title
;
 Structures of the bis(diarylthiophosphoryl) disulfides
 [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P--S
 \p bonding
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1793
_journal_page_last               1796
_journal_paper_doi               10.1107/S010827019300366X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H20 P2 S4'
_chemical_formula_weight         498.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 100.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4.00
_cell_length_a                   22.268(8)
_cell_length_b                   9.039(2)
_cell_length_c                   12.361(5)
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_cell_measurement_temperature    294
_cell_measurement_theta_max      15
_cell_measurement_theta_min      11
_cell_volume                     2448.2(14)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1977)
_computing_data_collection       CAD4_(Enraf-Nonius,_1977)
_computing_data_reduction        PROCESS_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEP_(Johnson,_1976)
_computing_publication_material  CIF_IN_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    Direct_methods_(MULTAN,_Main_et_al.,_1980)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       0
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_description       needle
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_refine_ls_abs_structure_details
;
?
;
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(F~o~^2^)+0.0016 F~o~^4^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            cr1049.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w =
4F~o~^2^/[\s^2^(F~o~^2^)+0.0016 F~o~^4^]' was changed to 'calc'. New
tag '_refine_ls_weighting_details' was created. The value of the new
tag was set to 'w = 4F~o~^2^/[\s^2^(F~o~^2^)+0.0016 F~o~^4^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2448(2)
_cod_original_sg_symbol_H-M      'C 1 2/c 1                       '
_cod_database_code               2001352