{Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of Oxidation State Zero
Claudio Schrenk; Florian Winter; Rainer Pöttgen; Andreas Schnepf; Inorganic Chemistry 51 (2012) 8583–8588; doi:10.1021/ic3011647

data_4329958
_publ_section_title
;
 {Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of
 Oxidation State Zero
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8583
_journal_page_last               8588
_journal_paper_doi               10.1021/ic3011647
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C62 H142 Li2 N0 O11 Si8 Sn9'
_chemical_formula_weight         2370.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 104.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.949(3)
_cell_length_b                   15.745(3)
_cell_length_c                   21.602(4)
_cell_measurement_reflns_used    74627
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      1.50
_cell_volume                     4912.9(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      149(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42542
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    2.387
_exptl_absorpt_correction_T_max  0.6369
_exptl_absorpt_correction_T_min  0.4119
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2340
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.007(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     805
_refine_ls_number_reflns         22650
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0394
_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^)+(0.0573P)^2^+2.6684P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                21053
_reflns_number_total             22650
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3011647_si_002.cif
_cod_data_source_block           jh04mon
_cod_original_cell_volume        4912.6(17)
_cod_database_code               4329958