Coordination of Tri-Substituted Nona-Germanium Clusters to Cu(I) and Pd(0).
Li, Feng; Sevov, Slavi C.; Inorganic chemistry 54 (2015) 8121–8125; doi:10.1021/acs.inorgchem.5b01371

data_4344047
_publ_section_title
;
 Coordination of Tri-Substituted Nona-Germanium Clusters to Cu(I) and
 Pd(0).
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8121
_journal_page_last               8125
_journal_paper_doi               10.1021/acs.inorgchem.5b01371
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '(Ge18 Si24 Cu2 P C72 H162), 2.5(C6 H14)'
_chemical_formula_sum            'C29 H70.67 Cu0.67 Ge6 P0.33 Si8'
_chemical_formula_weight         1132.75
_chemical_name_common
'(Ge9Si(SiMe3)3)Cu(Ge9Si(SiMe3)3)CuPPh3 2.5hex'
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.359(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   38.399(3)
_cell_length_b                   27.380(3)
_cell_length_c                   30.128(2)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      2.39
_cell_volume                     31667(5)
_computing_cell_refinement       'Bruker SAINT v7.60A'
_computing_data_collection       'Bruker APEX-II v2008-6'
_computing_data_reduction        'Bruker SAINT v7.60A'
_computing_molecular_graphics    SHELXL-XP
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of \w/2\q-scans and \f-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  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            274549
_diffrn_reflns_theta_full        26.14
_diffrn_reflns_theta_max         26.14
_diffrn_reflns_theta_min         0.91
_exptl_absorpt_coefficient_mu    3.845
_exptl_absorpt_correction_T_max  0.3917
_exptl_absorpt_correction_T_min  0.2494
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sheldrick, 2008'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13752
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
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_refine_diff_density_min         -1.508
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1355
_refine_ls_number_reflns         31522
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+226.5503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                24834
_reflns_number_total             31522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01371_si_001.cif
_cod_data_source_block           lf056
_cod_depositor_comments
'Adding full bibliography for 4344046--4344047.cif.'
_cod_original_cell_volume        31666(5)
_cod_database_code               4344047