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_7027241
_publ_section_title
;
 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 Te2 '
_chemical_formula_sum            'C28 H44 O2 P2 Pt Te2'
_chemical_formula_weight         924.89
_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 18:36:51 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 96.57(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.216(6)
_cell_length_b                   12.072(4)
_cell_length_c                   14.533(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      13.6
_cell_measurement_theta_min      10.8
_cell_volume                     1606.3(12)
_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      193.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00640
_diffrn_orient_matrix_UB_12      0.03839
_diffrn_orient_matrix_UB_13      -0.06037
_diffrn_orient_matrix_UB_21      -0.00582
_diffrn_orient_matrix_UB_22      0.07339
_diffrn_orient_matrix_UB_23      0.03129
_diffrn_orient_matrix_UB_31      0.10888
_diffrn_orient_matrix_UB_32      0.00167
_diffrn_orient_matrix_UB_33      0.01317
_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  0.116
_diffrn_reflns_av_sigmaI/netI    0.244
_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            4114
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        1.31
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.252
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             880.00
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.06
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     160
_refine_ls_number_reflns         1428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.0006
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                1428
_reflns_number_total             3882
_reflns_threshold_expression     >3.0sigma(I)
_cod_data_source_file            810015bsup1.cif
_cod_data_source_block           (4-CH3C6H4COTe)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_cell_volume        1606.3(9)
_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_original_formula_sum        'C28 H44 O2 P2 Pt Te2 '
_cod_database_code               7027241