1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a versatile reagent for the synthesis of Lewis adducts and ionic compounds.
Ding, Yi; Tang, Yongheng; Nazish, Mohd; Ruth, Paul Niklas; Wachendorf, Sophia Luisa; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Chemical communications (Cambridge, England) 61 (2025) 13441–13444; doi:10.1039/d5cc03933a

data_7134887
_publ_section_title
;
 1,2,4-Tri(<sup><i>t</i></sup>Bu)cyclopentadienyl gallium (Cp'''Ga) as a
 versatile reagent for the synthesis of Lewis adducts and ionic compounds.
;
_journal_issue                   71
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13441
_journal_page_last               13444
_journal_paper_doi               10.1039/d5cc03933a
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C17 H29 B Ga I3'
_chemical_formula_sum            'C17 H29 B Ga I3'
_chemical_formula_weight         694.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2024-07-23 deposited with the CCDC.	2025-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.02(2)
_cell_angle_gamma                90
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_cell_length_b                   8.886(2)
_cell_length_c                   15.894(2)
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_computing_cell_refinement       'SAINT V8.38A'
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'SHELXT(G.M.Sheldrick,Acta Cryst.(2015)A71,3-8)'
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_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS 2012/1: Sevvana, M., Ruf, M., Uson, I., Sheldrick G.M. 
 & Herbst-Irmer, R., Acta Cryst. D75 (2019) 1040-1050
;
_exptl_crystal_colour            red
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0366
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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^)+(0.0634P)^2^+21.2828P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5600
_reflns_number_total             6137
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           neu5
_cod_depositor_comments
'Adding full bibliography for 7134886--7134888.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134887
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.305
_shelx_estimated_absorpt_t_max   0.428
_shelx_res_checksum              21308
_shelx_hkl_checksum              4447