σ-BH activation of NHC → BH<sub>3</sub> fragments in dinuclear Cu complexes.
Camy, Aurèle; Martins-Bessa, David; Vendier, Laure; Fernández, Israel; Bontemps, Sébastien; Dalton transactions (Cambridge, England : 2003) 54 (2025) 7333–7339; doi:10.1039/d5dt00586h

data_7718464
_publ_section_title
;
 &#x3c3;-BH activation of NHC &#x2192; BH<sub>3</sub> fragments in
 dinuclear Cu complexes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7333
_journal_page_last               7339
_journal_paper_doi               10.1039/d5dt00586h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C50 H94 B2 Cl4 Cu4 N4 P4, C2 H3 N'
_chemical_formula_sum            'C52 H97 B2 Cl4 Cu4 N5 P4'
_chemical_formula_weight         1333.80
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2025-03-10 deposited with the CCDC.	2025-04-01 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker Kappa APEX II'
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_min         1.152
_exptl_absorpt_coefficient_mu    1.514
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_description       plate
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         12448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+4.0806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1189
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8805
_reflns_number_total             12448
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00586h3.cif
_cod_data_source_block           ACN160421
_cod_depositor_comments
'Adding full bibliography for 7718464--7718466.cif.'
_cod_database_code               7718464
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              80384
_shelx_hkl_checksum              92821
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