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_4103096
_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 Ag Ge2, F6 Sb, 2(C6 H5 Cl)'
_chemical_formula_sum            'C72 H84 Ag Cl2 F6 Ge2 Sb'
_chemical_formula_weight         1509.09
_chemical_name_common            '[Dipp*GeAgGeDipp*][SbF6].2chlorobenzene'
_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                 94.920(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.730(2)
_cell_length_b                   28.884(5)
_cell_length_c                   18.417(3)
_cell_measurement_reflns_used    8646
_cell_measurement_temperature    15(2)
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      2.6
_cell_volume                     6746.9(19)
_computing_cell_refinement       'Apex2 (Bruker, 2009)'
_computing_data_collection       'Apex2 (Bruker, 2009)'
_computing_data_reduction        'Apex2 (Bruker, 2009)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      15(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0698
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25427
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    1.701
_exptl_absorpt_correction_T_max  0.472
_exptl_absorpt_correction_T_min  0.283
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.97
_exptl_crystal_size_mid          0.64
_exptl_crystal_size_min          0.52
_refine_diff_density_max         1.152
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.146
_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     432
_refine_ls_number_reflns         4872
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.213
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+230.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1660
_refine_ls_wR_factor_ref         0.1767
_reflns_number_gt                4026
_reflns_number_total             4872
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja1051236_si_004_1.cif
_cod_data_source_block           xp290
_cod_original_cell_volume        6746.8(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4103096