{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_4329957
_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            'C42 H118 Li2 N8 O0 Si8 Sn9'
_chemical_formula_weight         2042.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.6917(12)
_cell_length_b                   13.3508(6)
_cell_length_c                   24.2803(11)
_cell_measurement_reflns_used    30825
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      28.115
_cell_measurement_theta_min      2.20
_cell_volume                     8328.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            115683
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    2.795
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5973
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            dark-brown
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       plate
_exptl_crystal_F_000             3976
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.972
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         10753
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0587
_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^)+(0.0124P)^2^+117.0800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                7124
_reflns_number_total             10753
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3011647_si_001.cif
_cod_data_source_block           cl9pnma
_cod_database_code               4329957