Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.
Janes, Trevor; Zatsepin, Pavel; Song, Datong; Chemical communications (Cambridge, England) 53 (2017) 3090–3093; doi:10.1039/c7cc00837f

data_7119711
_publ_section_title
;
 Reactivity of heavy carbene analogues towards oxidants: a redox active
 ligand-enabled isolation of a paramagnetic stannylene.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3090
_journal_page_last               3093
_journal_paper_doi               10.1039/c7cc00837f
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C39 H49 N3 Sn'
_chemical_formula_weight         678.50
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-31 deposited with the CCDC.
2017-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measurement_device_type  'Bruker Kappa Apex II'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
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_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_description       needle
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.4
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_refine_ls_abs_structure_details
;
 Flack x determined using 2672 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.002(15)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0207P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0719
_reflns_Friedel_coverage         0.975
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.978
_reflns_number_gt                6498
_reflns_number_total             7845
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc00837f2.cif
_cod_data_source_block           2b
_cod_depositor_comments
'Adding full bibliography for 7119711--7119715.cif.'
_cod_original_cell_volume        3465.8(9)
_cod_database_code               7119711
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              79133