Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]
Sindlinger, Christian P.; Wesemann, Lars; Chemical Science 5 (2014) 2739–; doi:10.1039/c4sc00365a

data_1515884
_publ_section_title
;
 Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic
 carbenes: a new method for the preparation of NHC adducts to tin(ii)
 species and observation of an isomer of a hexastannabenzene derivative
 [R6Sn6]
;
_journal_issue                   7
_journal_name_full               'Chemical Science'
_journal_page_first              2739
_journal_paper_doi               10.1039/c4sc00365a
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C104 H154 Sn6'
_chemical_formula_weight         2116.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 97.259(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8297(6)
_cell_length_b                   14.7507(6)
_cell_length_c                   43.5163(17)
_cell_measurement_temperature    100.(2)
_cell_volume                     10079.6(7)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_collection       'Bruker APEX2duo'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-IIduo CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            135340
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.30
_diffrn_source_type              microsource
_exptl_absorpt_coefficient_mu    1.506
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4312
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.495
_refine_diff_density_min         -1.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1053
_refine_ls_number_reflns         23195
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0388
_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^)+(0.0274P)^2^+18.2652P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0801
_reflns_number_gt                18111
_reflns_number_total             23195
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4sc00365a2.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 1515882--1515884.cif.'
_cod_database_code               1515884