[1,2-Bis(diphenylphosphino)ethane]diiodidoplatinum(II) dichloromethane disolvate
Akella Sivaramakrishna; Hong Su; John R. Moss; Acta Crystallographica Section E 63 (2007) m2648–m2648; doi:10.1107/S1600536807046636

data_2216121
_publ_section_title
;
 [1,2-Bis(diphenylphosphino)ethane]diiodidoplatinum(II) dichloromethane
 disolvate
;
_journal_coeditor_code           SJ2365
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2648
_journal_page_last               m2648
_journal_paper_doi               10.1107/S1600536807046636
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt I2 (C26 H24 P2)], 2C H2 Cl2'
_chemical_formula_moiety         'C26 H24 I2 P2 Pt, 2(C H2 Cl2)'
_chemical_formula_sum            'C28 H28 Cl4 I2 P2 Pt'
_chemical_formula_weight         1017.13
_chemical_name_systematic
;
[1,2-Bis(diphenylphosphino)ethane]diiodidoplatinum(II) dichloromethane
disolvate
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7385(2)
_cell_length_b                   15.6542(3)
_cell_length_c                   16.7194(3)
_cell_measurement_reflns_used    67782
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.70
_cell_measurement_theta_min      2.76
_cell_volume                     3334.03(10)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '1.2\% \f scans, 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  0.0823
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            67782
_diffrn_reflns_theta_full        25.70
_diffrn_reflns_theta_max         25.70
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    6.494
_exptl_absorpt_correction_T_max  0.7372
_exptl_absorpt_correction_T_min  0.6163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.026
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.045
_refine_diff_density_min         -0.895
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         3156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0290
_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^)+(0.0323P)^2^+6.3267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                2527
_reflns_number_total             3156
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2365.cif
_cod_data_source_block           I
_cod_database_code               2216121
_cod_database_fobs_code          2216121