{1,1'-Bis[bis(5-methyl-2-furyl)phosphino]ferrocene-κ^2^<i>P</i>,<i>P</i>'}dichloroplatinum(II) dichloromethane hemisolvate
Fihri, Aziz; Boudon, Julien; Hierso, Jean-Cyrille; Amardeil, Régine; Meunier, Philippe; Richard, Philippe; Acta Crystallographica Section E 61 (2005) m2267–m2269; doi:10.1107/S1600536805032034

data_2207218
_publ_section_title
;{1,1'-Bis[bis(5-methyl-2-furyl)phosphino]ferrocene-\k^2^<i>P</i>,<i>P</i>'}dichloroplatinum(II)
 dichloromethane hemisolvate
;
_journal_coeditor_code           FL6190
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2267
_journal_page_last               m2269
_journal_paper_doi               10.1107/S1600536805032034
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Fe Pt Cl2 (C15 H14 O2 P)2] , 0.5C H2 Cl2'
_chemical_formula_moiety         'C30 H28 Cl2 Fe O4 P2 Pt , 0.5C H2 Cl2'
_chemical_formula_sum            'C30.5 H29 Cl3 Fe O4 P2 Pt'
_chemical_formula_weight         878.77
_chemical_name_systematic
;
{1,1'-Bis[bis(5-methyl-2-furyl)phosphino]ferrocene-
\k^2^P,P'}dichloroplatinum(II) dichloromethane hemisolvate
;
_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                80.9260(10)
_cell_angle_beta                 78.3790(10)
_cell_angle_gamma                68.3020(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6903(2)
_cell_length_b                   10.7487(3)
_cell_length_c                   14.9344(4)
_cell_measurement_reflns_used    3814
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1555.24(7)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'ORTEPIII (Johnson & Burnett, 1996)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f scans (\k = 0) + additional \w scans'
_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  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8983
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.355
_exptl_absorpt_correction_T_max  0.335
_exptl_absorpt_correction_T_min  0.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             858
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.075
_refine_diff_density_max         1.211
_refine_diff_density_min         -2.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         6868
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0367P)^2^+4.3017P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0769
_reflns_number_gt                6137
_reflns_number_total             6868
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fl6190.cif
_cod_data_source_block           I
_cod_database_code               2207218
_cod_database_fobs_code          2207218