Chlorido{[2-(dicyclohexylphosphanoyl)ethyl]bis[2-(dicyclohexylphosphanyl)ethyl]phosphane}platinum(II) chloride dichloromethane hemisolvate tetrahydrate
Rieckborn, Timo Paul; Karakoc, Emine; He, Jin; Prosenc, Marc Heinrich; Acta Crystallographica Section E 65 (2009) m57–m58; doi:10.1107/S1600536808041615

data_2220569
_publ_section_title
;Chlorido{[2-(dicyclohexylphosphanoyl)ethyl]bis[2-(dicyclohexylphosphanyl)ethyl]phosphane}platinum(II)
 chloride dichloromethane hemisolvate tetrahydrate
;
_journal_coeditor_code           LH2731
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m57
_journal_page_last               m58
_journal_paper_doi               10.1107/S1600536808041615
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Pt Cl (C42 H78 O P4)] Cl, 0.5C H2 Cl2, 4H2 O'
_chemical_formula_moiety
'C42 H78 Cl O1 P4 Pt +, Cl -, 0.5(CH2 Cl2), 4(H2 O)'
_chemical_formula_sum            'C42.5 H87 Cl3 O5 P4 Pt'
_chemical_formula_weight         1103.39
_chemical_name_systematic
;
Chlorido{[2-(dicyclohexylphosphanoyl)ethyl]bis[2-
(dicyclohexylphosphanyl)ethyl]phosphane}platinum(II) chloride dichloromethane
hemisolvate tetrahydrate
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.292(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.3023(18)
_cell_length_b                   28.077(3)
_cell_length_c                   17.9581(15)
_cell_measurement_reflns_used    4947
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.746
_cell_measurement_theta_min      2.313
_cell_volume                     10038.5(16)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       37
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_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    3.122
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_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
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_refine_ls_number_restraints     18
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_refine_ls_R_factor_gt           0.0364
_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^)+(0.0136P)^2^+2P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2731.cif
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_cod_original_sg_symbol_H-M      'C 2/c'
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