Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate
Ferguson, G.; Lough, A. J.; McAlees, A. J.; McCrindle, R.; Acta Crystallographica Section C 49 (1993) 573–576; doi:10.1107/S0108270192010217

data_2001901
_publ_section_title
;
 Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide
 bis(deuteriochloroform) solvate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              573
_journal_page_last               576
_journal_paper_doi               10.1107/S0108270192010217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C52 H48 P4 Pt, I2, 2(C D Cl3)'
_chemical_formula_sum            'C54 H48 Cl6 D2 I2 P4 Pt'
_chemical_formula_weight         1486.52
_chemical_name_systematic
;
Bis[1,2-bis(diphenylphosphino)ethane]platinum(II)  iodide
bis(deuteriochloroform) solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.190(10)
_cell_angle_beta                 96.470(10)
_cell_angle_gamma                75.090(10)
_cell_formula_units_Z            1
_cell_length_a                   10.2649(14)
_cell_length_b                   12.1774(18)
_cell_length_c                   12.952(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      5.50
_cell_volume                     1427.1(4)
_computing_cell_refinement       'Enraf-Nonius CAD-4 software'
_computing_data_collection       'Enraf-Nonius CAD-4 software'
_computing_data_reduction        SDP-PLUS
_computing_molecular_graphics    'SDP-PLUS, ORTEPII'
_computing_publication_material  'SDP-PLUS, WordPerfect 5.1'
_computing_structure_refinement  SDP-PLUS
_computing_structure_solution    'SDP-Plus via Patterson'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Enraf-Nonius CAD-4    '
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6406
_diffrn_reflns_theta_max         26.93
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.98
_exptl_absorpt_correction_T_max  0.6484
_exptl_absorpt_correction_T_min  0.4237
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.84
_refine_ls_goodness_of_fit_obs   1.31
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_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0012F^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            br1014.cif
_cod_data_source_block           8837FLMM
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for atom 'Pt' that was previously erroneously left out.

 Antanas Vaitkus,
 2017-02-10

 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0012F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0012F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1427.1(7)
_cod_database_code               2001901