Synthesis and Crystal Structures of the First Stable Mononuclear Dihydrogermyl(hydrido) Platinum(II) Complexes
Nakata, Norio; Fukazawa, Shun; Ishii, Akihiko; Organometallics 28 (2009) 534–; doi:10.1021/om800809n

data_4068398
_publ_section_title
;
 Synthesis and Crystal Structures of the First Stable Mononuclear
 Dihydrogermyl(hydrido) Platinum(II) Complexes
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              534
_journal_paper_doi               10.1021/om800809n
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C56 H46 Ge P2 Pt, C3 H6 Cl6'
_chemical_formula_sum            'C59 H52 Cl6 Ge P2 Pt'
_chemical_formula_weight         1303.33
_chemical_name_common            ' (Ph3P)2Pt(H)(GeH2Trip)_3 CH2Cl2'
_chemical_name_systematic
; 
 (Ph3P)2Pt(H)(GeH2Trip)_3 CH2Cl2 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                102.190(2)
_cell_angle_beta                 93.663(2)
_cell_angle_gamma                114.777(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8284(9)
_cell_length_b                   12.1690(9)
_cell_length_c                   21.1183(16)
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      0.533
_cell_measurement_theta_min      0.412
_cell_volume                     2657.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16566
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    3.596
_exptl_absorpt_correction_T_max  0.5333
_exptl_absorpt_correction_T_min  0.4118
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.096
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         10351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0480
_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^)+(0.0785P)^2^+4.1147P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                8729
_reflns_number_total             10351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800809n_si_001.cif
_cod_data_source_block           complex2
_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 
;
_cod_original_cell_volume        2657.6(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4068398