Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes
Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro; Organometallics 27 (2008) 5152–; doi:10.1021/om8004349

data_4071865
_publ_section_title
;
 Mono- and Dinuclear Germapalladacycles Obtained via the Ge&#x2212;Ge Bond
 Forming Reactions Promoted by Palladium Complexes
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5152
_journal_paper_doi               10.1021/om8004349
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C54 H56 Ge4 P2 Pd'
_chemical_formula_sum            'C54 H56 Ge4 P2 Pd'
_chemical_formula_weight         1163.74
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.893(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            12
_cell_length_a                   22.863(4)
_cell_length_b                   21.865(3)
_cell_length_c                   30.131(5)
_cell_measurement_reflns_used    31920
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     14739(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            110880
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.878
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7008.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.11
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1816
_refine_ls_number_reflns         15678
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0013Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                15282
_reflns_number_total             33623
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om8004349_si_001.cif
_cod_data_source_block           '__complex4'
_cod_original_formula_sum        'C162 H168 Ge12 P6 Pd3 '
_cod_database_code               4071865