[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate
Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.; Acta Crystallographica Section C 57 (2001) 237–239; doi:10.1107/S0108270100017273

data_2011785
_publ_section_title
;[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II)
 and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine
 oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              237
_journal_page_last               239
_journal_paper_doi               10.1107/S0108270100017273
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pt (C25 H22 O P)2] , 2N O3 , 2H2 O'
_chemical_formula_moiety         'C50 H44 O2 P2 Pt 2+ , 2N O3 - , 2H2 O'
_chemical_formula_sum            'C50 H48 N2 O10 P4 Pt'
_chemical_formula_weight         1155.87
_chemical_name_systematic
;
cis-[Bis(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II)
dinitrate dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 92.810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9843(2)
_cell_length_b                   16.3998(2)
_cell_length_c                   22.6979(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.2
_cell_volume                     4827.48(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1999)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full .995
_diffrn_measured_fraction_theta_max .995
_diffrn_measurement_device_type  'Bruker? CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'long-fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .06
_diffrn_reflns_av_sigmaI/netI    .028
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            80352
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        <2
_exptl_absorpt_coefficient_mu    3.10
_exptl_absorpt_correction_T_max  .51
_exptl_absorpt_correction_T_min  .37
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Blessing, 1995)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2320
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .22
_refine_diff_density_max         .75
_refine_diff_density_min         -.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         9898
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          .049
_refine_ls_R_factor_gt           .031
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0237P)^2^+8.7121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .069
_reflns_number_gt                7985
_reflns_number_total             9898
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bk1556.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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:

'_exptl_crystal_density_meas' value 'no' 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_cell_volume        4827.47(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2011785
_cod_database_fobs_code          2011785