Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents
Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus; Organometallics 34 (2015) 5602–; doi:10.1021/acs.organomet.5b00829

data_4088063
_publ_section_title
;
 Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5602
_journal_paper_doi               10.1021/acs.organomet.5b00829
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C33 H85 O2 Si8 Sn2, C32 H12 B F24'
_chemical_formula_sum            'C65 H97 B F24 O2 Si8 Sn2'
_chemical_formula_weight         1839.33
_chemical_melting_point          453
_chemical_name_systematic
;
'[1,1,3,3-bistrimethylsilylmethyl,2,2-dimethyl]-acetato-1,3-
distanninanium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate'
;
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                62.979(4)
_cell_angle_beta                 80.751(3)
_cell_angle_gamma                85.767(3)
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_cell_length_b                   21.3202(8)
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_cell_measurement_temperature    173(2)
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'CrysAlisPro, Agilent Technologies, Version 1.171.36.28'
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'CrysAlisPro, Agilent Technologies, Version 1.171.36.28'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XcaliburS, Sapphire3'
_diffrn_measurement_method       '\w und \y scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_av_unetI/netI     0.0863
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            101867
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.169
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_description       column
_exptl_crystal_F_000             3744
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.956
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1904
_refine_ls_number_reflns         32571
_refine_ls_number_restraints     295
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0982P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1497
_refine_ls_wR_factor_ref         0.1699
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21793
_reflns_number_total             32571
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00829_si_002.cif
_cod_data_source_block           compound3_3188
_cod_database_code               4088063
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              84953
_shelx_hkl_checksum              57237