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_8000132
_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            'C49 H54 Ge P2 Pt'
_chemical_formula_weight         972.54
_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                80.411(2)
_cell_angle_beta                 79.010(2)
_cell_angle_gamma                87.075(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4030(2)
_cell_length_b                   12.7170(4)
_cell_length_c                   16.8210(6)
_cell_measurement_reflns_used    9539
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      2.15
_cell_volume                     2153.57(11)
_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-92
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.920
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'MacScience DIP2030 imaging plate'
_diffrn_measurement_method       \w
_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    0.0359
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9539
_diffrn_reflns_theta_full        27.97
_diffrn_reflns_theta_max         27.97
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    4.049
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.024
_refine_diff_density_min         -1.779
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0105(9)
_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   1.369
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         9539
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.369
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1562
_reflns_number_gt                9057
_reflns_number_total             9539
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            35-810sup3.cif
_cod_data_source_block           5
_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_sg_symbol_H-M      P-1
_cod_database_code               8000132