Bis[bis(dicyclohexylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(perchlorate) 1,2-dichloroethane tetrasolvate
Yong, Chen; Xi-Juan, Zhao; Wen-Fu, Fu; Acta Crystallographica Section E 62 (2006) m2773–m2774; doi:10.1107/S1600536806039535

data_2210531
_publ_section_title
;
 Bis[bis(dicyclohexylphosphino)methane-\k^2^<i>P</i>,<i>P</i>']platinum(II)
 bis(perchlorate) 1,2-dichloroethane tetrasolvate
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_journal_coeditor_code           BX2024
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2773
_journal_page_last               m2774
_journal_paper_doi               10.1107/S1600536806039535
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt (C25 H46 P2)2] (Cl O4)2, 4C2 H4 Cl2'
_chemical_formula_moiety         'C50 H92 P4 Pt 2+ , 2(Cl O4 -) , 4(C2 H4 Cl2)'
_chemical_formula_sum            'C58 H108 Cl10 O8 P4 Pt'
_chemical_formula_weight         1606.91
_chemical_name_systematic
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Bis[bis(dicyclohexylphosphino)methane-\k^2^<i>P</i>,<i>P</i>']platinum(II)
bis(perchlorate) 1,2-dichloroethane tetrasolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                109.137(2)
_cell_angle_beta                 112.534(2)
_cell_angle_gamma                103.398(2)
_cell_formula_units_Z            1
_cell_length_a                   11.9213(15)
_cell_length_b                   13.7673(16)
_cell_length_c                   13.9489(16)
_cell_measurement_reflns_used    6509
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.57
_cell_volume                     1822.5(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9358
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.426
_exptl_absorpt_correction_T_max  0.623452
_exptl_absorpt_correction_T_min  0.601648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.250
_refine_diff_density_min         -1.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         6377
_refine_ls_number_restraints     104
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0452P)^2^+2.2251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                6254
_reflns_number_total             6377
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bx2024.cif
_cod_data_source_block           I
_cod_depositor_comments
;
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 
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_cod_database_code               2210531
_cod_database_fobs_code          2210531