A Ditetrylyne as a π-Electron Donor: Synthesis and Characterization of [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2)
Xinping Wang; Yang Peng; Marilyn M. Olmstead; Håkon Hope; Philip P. Power; Journal of the American Chemical Society 132 (2010) 13150–13151; doi:10.1021/ja1051236

data_4103097
_publ_section_title
;
 A Ditetrylyne as a \p-Electron Donor: Synthesis and Characterization of
 [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' =
 C6H3-2,6(C6H3-2,6-Pri2)2)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13150
_journal_page_last               13151
_journal_paper_doi               10.1021/ja1051236
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C60 H74 Ag2 Ge2 F, Sb F6, C6 H5 Cl'
_chemical_formula_sum            'C66 H79 Ag2 Cl F7 Ge2 Sb'
_chemical_formula_weight         1523.41
_chemical_name_common            '[D*GeAgGeFAgD*][SbF6].chlorobenzene'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 108.767(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.2232(6)
_cell_length_b                   12.9714(4)
_cell_length_c                   24.1179(9)
_cell_measurement_reflns_used    9993
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.9
_cell_volume                     6286.5(4)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'Apex2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART Apex II'
_diffrn_measurement_method       \w
_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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27107
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    2.084
_exptl_absorpt_correction_T_max  0.7881
_exptl_absorpt_correction_T_min  0.6571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3056
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.049
_refine_diff_density_min         -2.767
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         7203
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+53.1009P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                6676
_reflns_number_total             7203
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja1051236_si_004_2.cif
_cod_data_source_block           xp262
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4103097