Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.
Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei; Chemical science 15 (2024) 7943–7948; doi:10.1039/d4sc02629b

data_1571619
_publ_section_title
;
 Metallaaromaticity involving a d<sup>0</sup> early transition metal
 centre: synthesis, structure, and aromaticity of tantallapyridinazirine
 complexes.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              7943
_journal_page_last               7948
_journal_paper_doi               10.1039/d4sc02629b
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C35 H51 B10 N2 Ta'
_chemical_formula_weight         788.83
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-14 deposited with the CCDC.	2024-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    284(2)
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_cell_measurement_theta_min      15
_cell_volume                     4008.9(5)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
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_diffrn_ambient_temperature      284(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    2.768
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_exptl_absorpt_correction_type   multi-scan
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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^)+(0.0241P)^2^+5.3052P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0542
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_reflns_number_total             7232
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc02629b2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 1571618--1571620.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1571619
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              42517
_shelx_fab_checksum              90419