(Di-<i>tert</i>-butylmethylphosphane)(η^2^-di-<i>tert</i>-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)
Konitz, Antoni; Krautscheid, Harald; Pikies, Jerzy; Acta Crystallographica Section C 65 (2009) m21–m23; doi:10.1107/S0108270108037979

data_2016927
_publ_section_title
(Di-<i>tert</i>-butylmethylphosphane)(\h^2^-di-<i>tert</i>-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)
_journal_coeditor_code           GG3157
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m21
_journal_page_last               m23
_journal_paper_doi               10.1107/S0108270108037979
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pt (C8 H18 P2) (C9 H21 P1) (C18 H15 P1)]'
_chemical_formula_moiety         'C35 H54 P4 Pt'
_chemical_formula_sum            'C35 H54 P4 Pt'
_chemical_formula_weight         793.74
_chemical_name_systematic
;
(Di-<i>tert</i>-butylmethylphosphane)(\h^2^-di-<i>tert</i>-
butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 101.646(9)
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   29.924(2)
_cell_length_b                   29.928(2)
_cell_length_c                   33.233(3)
_cell_measurement_reflns_used    90443
_cell_measurement_temperature    120
_cell_measurement_theta_max      32.38
_cell_measurement_theta_min      2.06
_cell_volume                     29150(4)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2005)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8.1883
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Kuma KM4 four-axis diffractometer with Sapphire2 CCD detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            74063
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.31
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.048
_exptl_absorpt_correction_T_max  0.672
_exptl_absorpt_correction_T_min  0.414
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2006)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by Clark & Reid (1995)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             12864
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.051
_refine_diff_density_max         2.083
_refine_diff_density_min         -0.713
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1493
_refine_ls_number_reflns         25787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0381P)^2^+39.9739P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0682
_reflns_number_gt                20921
_reflns_number_total             25787
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg3157.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2016927