<i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)
Baumeister, Ute; Hartung, Helmut; Schulz, Torsten; Weichmann, Horst; Acta Crystallographica Section C 54 (1998) 333–335; doi:10.1107/S0108270197014029

data_2007094
_publ_section_title
;
 <i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              333
_journal_page_last               335
_journal_paper_doi               10.1107/S0108270197014029
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Pt Sn2 (CH3)4 (C14 H14 P)2]'
_chemical_formula_moiety         'C32 H40 P2 Pt Sn2'
_chemical_formula_structural     'Pt ((C6 H5)2 P (C2 H4) SN (C H3)2)2'
_chemical_formula_sum            'C32 H40 P2 Pt Sn2'
_chemical_formula_weight         919.05
_chemical_melting_point          456.1(10)
_chemical_name_systematic
;
  cis-Bis[(2-Diphenylphosphinoethyl)dimethylstannyl]platinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_beta                 103.144(15)
_cell_angle_gamma                90.00
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_cell_length_b                   13.206(3)
_cell_length_c                   21.697(4)
_cell_measurement_reflns_used    76
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.1
_cell_measurement_theta_min      10.1
_cell_volume                     3292.8(11)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe, 19??)'
_computing_data_reduction        'REDU4 (Stoe, 19??)'
_computing_molecular_graphics    'XP/PC (Siemens, 1990)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Stoe Stadi-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        5.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.859
_exptl_absorpt_correction_T_max  0.136
_exptl_absorpt_correction_T_min  0.102
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1760
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_exptl_crystal_size_min          0.34
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_refine_diff_density_min         -1.022
_refine_ls_extinction_coef       0.00023(5)
_refine_ls_extinction_method     SHELXL93_(Sheldrick,_1993)
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_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_obs          .0285
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0369P)^2^+2.0278P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0712
_refine_ls_wR_factor_obs         .0673
_reflns_number_observed          6514
_reflns_number_total             7945
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz1255.cif
_cod_data_source_block           s261
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (4 times).

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

The following automatic conversions were performed:

'_chemical_melting_point' value '182 - 184_C' was changed to
'456.1(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '182 - 184_C' was changed to
'456.1(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was
estimated.

'_geom_bond_publ_flag' value 'YES' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (4
times).

'_geom_angle_publ_flag' value 'YES' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (4
times).

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

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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0369P)^2^+2.0278P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0369P)^2^+2.0278P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2007094
_cod_database_fobs_code          2007094