Trapping of transient, heavy pnictogen-centred biradicals.
Bresien, J.; Hinz, A.; Schulz, A.; Villinger, A.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 4433–4436; doi:10.1039/c8dt00487k

data_7045676
_publ_section_title
;
 Trapping of transient, heavy pnictogen-centred biradicals.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4433
_journal_page_last               4436
_journal_paper_doi               10.1039/c8dt00487k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C62 H60 Bi2 N2, C6 H6'
_chemical_formula_sum            'C68 H66 Bi2 N2'
_chemical_formula_weight         1329.18
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-12-21 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                98.920(2)
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_cell_angle_gamma                90.533(2)
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_cell_length_b                   12.4083(8)
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_cell_measurement_theta_max      32.10
_cell_measurement_theta_min      2.22
_cell_volume                     2820.8(3)
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_computing_data_collection       'Bruker Apex V7.51A'
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_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
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_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            91771
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.498
_diffrn_reflns_theta_min         2.220
_exptl_absorpt_coefficient_mu    6.272
_exptl_absorpt_correction_T_max  0.7464
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.220
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_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.941
_refine_diff_density_min         -1.448
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     656
_refine_ls_number_reflns         20308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0162P)^2^+1.0426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0531
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15876
_reflns_number_total             20308
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00487k2.cif
_cod_data_source_block           ah048b
_cod_depositor_comments
'Adding full bibliography for 7045674--7045676.cif.'
_cod_database_code               7045676
_shelx_estimated_absorpt_t_min   0.339
_shelx_estimated_absorpt_t_max   0.668
_shelxl_version_number           2013-4
_shelx_res_checksum              63925