Synthesis and Kaleidoscopic Reactivities of Bis(tritolylgermyl)bis(dimethylphenylphosphine)platinum(II)
Usui, Yoko; Fukushima, Takashi; Nanjo, Masato; Mochida, Kunio; Akasaka, Kuniyoshi; Kudo, Takako; Komiya, Sanshiro; Chemistry Letters 35 (2006) 810–; doi:10.1246/cl.2006.810

data_8000131
_publ_section_title
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 Synthesis and Kaleidoscopic Reactivities of
 Bis(tritolylgermyl)bis(dimethylphenylphosphine)platinum(II)
;
_journal_issue                   7
_journal_name_full               'Chemistry Letters'
_journal_page_first              810
_journal_paper_doi               10.1246/cl.2006.810
_journal_volume                  35
_journal_year                    2006
_chemical_formula_sum            'C58 H64 Ge2 P2 Pt'
_chemical_formula_weight         1163.30
_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                104.025(5)
_cell_angle_beta                 102.670(5)
_cell_angle_gamma                112.854(4)
_cell_formula_units_Z            2
_cell_length_a                   12.5600(8)
_cell_length_b                   13.8290(10)
_cell_length_c                   17.4500(17)
_cell_measurement_reflns_used    10724
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.24
_cell_volume                     2537.7(4)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       XPRESS
_computing_data_reduction        DENZO
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'MacScience DIP2030 imaging plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0690
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10724
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    4.026
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.757
_refine_diff_density_min         -2.870
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1349
_refine_ls_wR_factor_ref         0.1526
_reflns_number_gt                7955
_reflns_number_total             10724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            35-810sup2.cif
_cod_data_source_block           3-trans
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_original_cell_volume        2537.7(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8000131