Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands
Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.; Organometallics 30 (2011) 5170–; doi:10.1021/om2005113

data_4065021
_publ_section_title
;
 Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes
 with Iminophosphine and Phosphinocarbonyl Ligands
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5170
_journal_paper_doi               10.1021/om2005113
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C31 H34 N P Pt'
_chemical_formula_weight         646.65
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.134(2)
_cell_angle_beta                 104.928(2)
_cell_angle_gamma                107.442(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4923(4)
_cell_length_b                   11.1549(4)
_cell_length_c                   14.5403(8)
_cell_measurement_reflns_used    9711
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      34.293
_cell_measurement_theta_min      2.353
_cell_volume                     1339.61(11)
_computing_data_reduction        'SAINT v7.53A (Bruker, 2008)'
_computing_molecular_graphics
;
Olex2, Durham University (compiled Jan 16 2009 19:16:02)
;
_computing_publication_material
;
Olex2, Durham University (compiled Jan 16 2009 19:16:02)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0583
_diffrn_reflns_av_sigmaI/netI    0.0484
_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       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38965
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         34.98
_diffrn_reflns_theta_min         2.92
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    5.316
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.4137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS-2008/1 (Bruker,2008) was used for absorption correction.
 R(int) was 0.1173 before and 0.0829 after correction.
 The Ratio of minimum to maximum transmission is 0.55388940956.
 The \l/2 correction factor is Not present
;
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.48
_refine_diff_density_max         2.376
_refine_diff_density_min         -1.515
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         9904
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.1917P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0565
_reflns_number_gt                9359
_reflns_number_total             9904
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2005113_si_002.cif
_cod_data_source_block           TFVB
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1339.61(10)
_cod_database_code               4065021