[(OtBu)2C6H3]3Ge+ a free germyl cation with aryl ligands
Schenk, Christian; Drost, Christian; Schnepf, Andreas; Dalton Transactions  (2009) 773–776; doi:10.1039/b818931e

data_7000380
_publ_section_title
;
 [(OtBu)2C6H3]3Ge+ a free germyl cation with aryl ligands
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              773
_journal_page_last               776
_journal_paper_doi               10.1039/b818931e
_journal_year                    2009
_chemical_formula_sum            'C59.88 H66.75 Al Cl3.75 F36 Ge O10'
_chemical_formula_weight         1862.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.088(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1010(9)
_cell_length_b                   24.3749(8)
_cell_length_c                   18.2722(8)
_cell_measurement_reflns_used    69390
_cell_measurement_temperature    99(2)
_cell_measurement_theta_max      25.795
_cell_measurement_theta_min      1.40
_cell_volume                     7746.2(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      99(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            54448
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.674
_exptl_absorpt_correction_T_max  0.8189
_exptl_absorpt_correction_T_min  0.7708
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             3755
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.786
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         15111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0438
_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^)+(0.0450P)^2^+6.5783P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                12332
_reflns_number_total             15111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818931e.txt
_cod_data_source_block           as112mon
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7000380