[1,1'-Bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>,<i>P</i>']dichloroplatinum(II) chloroform solvate
Muller, Alfred; Acta Crystallographica Section E 63 (2007) m210–m212; doi:10.1107/S1600536806052834

data_2211910
_publ_section_title
;[1,1'-Bis(diphenylphosphino)ferrocene-\k^2^<i>P</i>,<i>P</i>']dichloroplatinum(II)
 chloroform solvate
;
_journal_coeditor_code           NG2176
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m210
_journal_page_last               m212
_journal_paper_doi               10.1107/S1600536806052834
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt1 Fe1 Cl2 (C17 H14 P1)2] , C H Cl3'
_chemical_formula_moiety         'C34 H28 Cl2 Fe P2 Pt , C H Cl3'
_chemical_formula_sum            'C35 H29 Cl5 Fe P2 Pt'
_chemical_formula_weight         939.71
_chemical_name_systematic
;
[1,1'-Bis(diphenylphosphine)ferrocene-\k^2^P,P']dichloroplatinum(II)
chloroform solvate
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.394(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1534(6)
_cell_length_b                   16.4121(8)
_cell_length_c                   16.7053(8)
_cell_measurement_reflns_used    6624
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.35
_cell_volume                     3322.3(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8 APEXII 4K KappaCCD area-detector'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38208
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.168
_exptl_absorpt_correction_T_max  0.6003
_exptl_absorpt_correction_T_min  0.3157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.987
_refine_diff_density_min         -0.771
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8237
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0212P)^2^+1.9034P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                7233
_reflns_number_total             8237
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2176.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211910
_cod_database_fobs_code          2211910