[2-(1-Acetoxyethyl)-1,1'-bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) dichloromethane solvate
Spencer, Lara C.; Bjelosevic, Haris; Acta Crystallographica Section E 63 (2007) m1536–m1536; doi:10.1107/S1600536807020144

data_2213183
_publ_section_title
;[2-(1-Acetoxyethyl)-1,1'-bis(diphenylphosphino)ferrocene-\k^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II)
 dichloromethane solvate
;
_journal_coeditor_code           BT2342
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1536
_journal_page_last               m1536
_journal_paper_doi               10.1107/S1600536807020144
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Fe Pt Cl2 (C17 H14 P1) (C21 H20 O2 P1)], C H2 Cl2'
_chemical_formula_moiety         'C38 H34 Cl2 Fe O2 P2 Pt, C H2 Cl2'
_chemical_formula_sum            'C39 H36 Cl4 Fe O2 P2 Pt'
_chemical_formula_weight         991.36
_chemical_name_systematic
;
[2-(1-Acetoxyethyl)-1,1'-bis(diphenylphosphino)ferrocene-
\k^2^P,P']dichloridoplatinum(II) dichloromethane 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'
_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                 91.95(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.512(2)
_cell_length_b                   22.327(5)
_cell_length_c                   15.734(3)
_cell_measurement_reflns_used    5453
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.3667
_cell_measurement_theta_min      2.2369
_cell_volume                     3690.7(13)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
'SHELXTL, publCIF (Westrip, 2007) and modiCIFer (reference?)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker CCD-1000 area-detector'
_diffrn_measurement_method       '0.30\% \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            52878
_diffrn_reflns_theta_full        29.53
_diffrn_reflns_theta_max         29.53
_diffrn_reflns_theta_min         1.58
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.591
_exptl_absorpt_correction_T_max  0.4005
_exptl_absorpt_correction_T_min  0.2955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.644
_refine_diff_density_min         -0.922
_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     466
_refine_ls_number_reflns         10208
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+6.0554P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0586
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                8965
_reflns_number_total             10208
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2342.cif
_cod_data_source_block           I
_cod_original_cell_volume        3690.6(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213183
_cod_database_fobs_code          2213183