[Me2C{SnCH(SiMe3)2}2]2. A mu-Me2C-bridged tetrastanna tetrahedrane
Michael Wagner; Michael Lutter; Bernhard Zobel; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat; Chem.Commun. 51 (2015) 153–; doi:10.1039/C4cc07417C

data_7116154
_publ_section_title
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 [Me2C{SnCH(SiMe3)2}2]2. A mu-Me2C-bridged tetrastanna tetrahedrane
;
_journal_name_full               Chem.Commun.
_journal_page_first              153
_journal_paper_doi               10.1039/C4cc07417C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C34 H88 O3 Si8 Sn4'
_chemical_formula_sum            'C34 H88 O3 Si8 Sn4'
_chemical_formula_weight         1244.52
_chemical_melting_point          439
_chemical_name_systematic
'1,3,5,7-tetrakis[bis(trimethylsilyl)methyl]-9,9,10,10-tetramethyl-2,4,6,8-tetraoxa-1,3,5,7-tetrastannaadamantane + tetrakis[bis(trimethylsilyl)methyl]-bis-1,3-2,4-\m-(iso-propyliden)-bis-1,2-3,4-\m-oxo-tetrastannahedrane'
_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                 109.718(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.3250(11)
_cell_length_b                   13.2488(4)
_cell_length_c                   16.5435(5)
_cell_measurement_reflns_used    9654
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.3890
_cell_measurement_theta_min      2.5810
_cell_volume                     5638.0(4)
_computing_cell_refinement
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_collection
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_reduction
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'enCIFer Version 1.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'XcaliburS CCD Diffractometer'
_diffrn_measurement_method       '\w und \y scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27462
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.948
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         5244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0272
_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^)+(0.0202P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                4551
_reflns_number_total             5244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc07417c2.cif
_cod_data_source_block           compound4
_cod_original_cell_volume        5638.0(3)
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7116154