Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.
Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5519–5529; doi:10.1039/d1dt00704a

data_7706888
_publ_section_title
;
 Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and
 Lappert's stannylenes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5519
_journal_page_last               5529
_journal_paper_doi               10.1039/d1dt00704a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C60.11 H75 Br2.89 N9.11 Sn3'
_chemical_formula_weight         1512.16
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-07-07 deposited with the CCDC.	2021-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.087(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_measurement_temperature    150(2)
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_cell_volume                     12163.1(5)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0517
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_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.882
_exptl_absorpt_coefficient_mu    3.167
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_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.652
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0696
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0143P)^2^+55.4257P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                10170
_reflns_number_total             13403
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00704a2.cif
_cod_data_source_block           ps160126Sn1
_cod_depositor_comments
'Adding full bibliography for 7706886--7706890.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7706888
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.354
_shelx_estimated_absorpt_t_max   0.708
_shelx_res_checksum              80143