Kinetic and Mechanistic Aspects of Sulfur Recovery from Pd~2~I~2~(μ-S)(μ-dpm)~2~ Using I2 and Structures of Pd(II) Complexes with the Chelated Monosulfide of dpm
Terrance Y. H. Wong; Steven J. Rettig; Brian R. James; Inorganic Chemistry 38 (1999) 2143–2149; doi:10.1021/ic981039w

data_4321950
_publ_contact_author_address
;
University of British Columbia
Department of Chemistry
2036 Main Mall
Vancouver, BC Canada
V6T 1Z1
;
_publ_contact_author_email       xtal@xray5.chem.ubc.ca
_publ_contact_author_fax         604-822-2847
_publ_contact_author_name        'Steve Rettig (for crystallography)'
_publ_contact_author_phone       604-822-4865
_publ_section_title
;
 Kinetic and Mechanistic Aspects of Sulfur Recovery from
 Pd~2~I~2~(\m-S)(\m-dpm)~2~ Using I2 and Structures of Pd(II) Complexes
 with the Chelated Monosulfide of dpm
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2143
_journal_page_last               2149
_journal_paper_doi               10.1021/ic981039w
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C25.5 H23 Cl I2 P2 Pd S'
_chemical_formula_weight         819.13
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             1998-09-14
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_audit_update_record
;
Passed IUCR construction tests: 1998-09-14
;
_cell_angle_alpha                90
_cell_angle_beta                 91.603(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.378(2)
_cell_length_b                   14.231(3)
_cell_length_c                   21.049(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      7.1
_cell_volume                     2808.1(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      294.2
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_diffrn_orient_matrix_UB_33      -0.00037
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.05514
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_diffrn_reflns_theta_min         1.73
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_diffrn_standards_interval_count 200
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_exptl_absorpt_coefficient_mu    3.157
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_exptl_absorpt_process_details
;
(North,Phillips & Matthews, 1968)
;
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_refine_ls_shift/su_max          0.0050
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                2465
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic981039w_1.cif
_cod_data_source_block           compound_5c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C25.50 H23 Cl I2 P2 Pd S '
_cod_database_code               4321950