Bis(phosphine)bis(tellurocarboxylato)-palladium(II) and -platinum(II) complexes: synthesis and crystal structure
Kato, Shinzi; Niyomura, Osamu; Kawahara, Yasuyuki; Kanda, Takahiro; Journal of the Chemical Society, Dalton Transactions  (1999) 1677–; doi:10.1039/a810015b

data_7027242
_publ_section_title
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 Bis(phosphine)bis(tellurocarboxylato)-palladium(II) and -platinum(II)
 complexes: synthesis and crystal structure
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1677
_journal_paper_doi               10.1039/a810015b
_journal_year                    1999
_chemical_formula_moiety         'C28 H44 O2 P2 Pt S2 '
_chemical_formula_sum            'C28 H44 O2 P2 Pt S2'
_chemical_formula_weight         733.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Oct 23 18:50:01 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 102.347(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.523(1)
_cell_length_b                   11.902(1)
_cell_length_c                   14.5038(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1605.9(2)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.00388
_diffrn_orient_matrix_UB_12      0.05056
_diffrn_orient_matrix_UB_13      -0.05556
_diffrn_orient_matrix_UB_21      0.06238
_diffrn_orient_matrix_UB_22      0.05567
_diffrn_orient_matrix_UB_23      0.04140
_diffrn_orient_matrix_UB_31      0.08746
_diffrn_orient_matrix_UB_32      -0.03747
_diffrn_orient_matrix_UB_33      -0.01345
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_av_sigmaI/netI    0.052
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4101
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        49.32
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.603
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.92
_refine_ls_extinction_coef       0.043(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.329
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00040|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0408
_refine_ls_wR_factor_ref         0.0408
_reflns_number_gt                2235
_reflns_number_total             3877
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            810015bsup1.cif
_cod_data_source_block           (4-CH3C6H4COS)2Pt(PEt3)2
_cod_depositor_comments
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The following automatic conversions were performed:
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'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

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Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
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_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_original_formula_sum        'C28 H44 O2 P2 Pt S2 '
_cod_database_code               7027242