(1,3-Dimesityldihydroimidazol-2-ylidene)(2-peroxidopropan-2-olato-κ^2^<i>O,O</i>')(triphenylphosphine-κ<i>P</i>)platinum(II) benzene-<i>d</i>~6~ disolvate
Kooijman, Huub; Sprengers, Jeroen W.; Elsevier, Cornelis J.; Spek, Anthony L.; Acta Crystallographica Section E 60 (2004) m1456–m1458; doi:10.1107/S1600536804022937

data_2204283
_publ_section_title
;(1,3-Dimesityldihydroimidazol-2-ylidene)(2-peroxidopropan-2-olato-\k^2^<i>O,O</i>')(triphenylphosphine-\k<i>P</i>)platinum(II)
 benzene-<i>d</i>~6~ disolvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1456
_journal_page_last               m1458
_journal_paper_doi               10.1107/S1600536804022937
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
'[Pt (C3 H6 O3) (C21 H26 N2) (C18 H15 P)], 2C6 D6'
_chemical_formula_moiety         'C42 H47 N2 O3 P Pt, 2C6 D6'
_chemical_formula_sum            'C54 H47 D12 N2 O3 P Pt'
_chemical_formula_weight         1022.11
_chemical_name_systematic        ?
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                69.96(3)
_cell_angle_beta                 86.70(4)
_cell_angle_gamma                74.80(3)
_cell_formula_units_Z            2
_cell_length_a                   11.5582(10)
_cell_length_b                   12.6032(10)
_cell_length_c                   17.605(2)
_cell_measurement_reflns_used    574
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     2323.5(7)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            57354
_diffrn_reflns_reduction_process ' ?'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.099
_exptl_absorpt_correction_T_max  0.629
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'PLATON/MULABS (Spek, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.830
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         10600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(F~o~^2^)+(0.0131P)^2^+1.20P] where P = (F~o~^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0405
_refine_ls_wR_factor_ref         0.0413
_reflns_number_gt                9970
_reflns_number_total             10600
_reflns_threshold_expression     I2\s(I)
_cod_data_source_file            bv6000.cif
_cod_data_source_block           II
_cod_database_code               2204283
_cod_database_fobs_code          2204283