Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.
Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9059–9067; doi:10.1039/d1dt01216a

data_7707238
_publ_section_title
;
 Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O:
 diboration of carbon dioxide by a main group bis(boryl) complex.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9059
_journal_page_last               9067
_journal_paper_doi               10.1039/d1dt01216a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C52 H72 B2 N4 O Sn, C6 H6'
_chemical_formula_sum            'C58 H78 B2 N4 O Sn'
_chemical_formula_weight         987.55
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-13 deposited with the CCDC.	2021-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    150(2)
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_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_max       15
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_diffrn_reflns_number            63625
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         76.302
_diffrn_reflns_theta_min         3.528
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.902
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_description       block
_exptl_crystal_F_000             4176
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         5886
_refine_ls_number_restraints     196
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+27.3804P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1725
_refine_ls_wR_factor_ref         0.1745
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5467
_reflns_number_total             5886
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01216a2.cif
_cod_data_source_block           borylboryloxytin
_cod_depositor_comments
'Adding full bibliography for 7707232--7707239.cif.'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7707238
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.540
_shelx_estimated_absorpt_t_max   0.611
_shelx_res_checksum              39198