Cooperativity between metal centers in homobimetallic Pd<sup>II</sup>-NHC complexes: catalytic potential towards hydrodefluorination.
Kumar, Shashi; Singh, Dushyant; Rit, Arnab; Chemical communications (Cambridge, England) 60 (2024) 7761–7764; doi:10.1039/d4cc02185a

data_7133289
_publ_section_title
;
 Cooperativity between metal centers in homobimetallic Pd<sup>II</sup>-NHC
 complexes: catalytic potential towards hydrodefluorination.
;
_journal_issue                   60
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7761
_journal_page_last               7764
_journal_paper_doi               10.1039/d4cc02185a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C28 H33 Br4 Cl2 N6 O0.5 Pd2'
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_audit_update_record
;
2023-10-14 deposited with the CCDC.	2024-06-06 downloaded from the CCDC.
;
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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'Bruker axs kappa apex3 PHOTON II Diffractometer'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+26.3868P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0972
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6737
_reflns_number_total             7890
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02185a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
         Adding full bibliography for 7133289.cif.

2025-03-31
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C56 H66 Br8 Cl4 N12 O Pd4'
_cod_original_formula_weight         2129.88
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7133289
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.559
_shelx_estimated_absorpt_t_max   0.625
_shelx_res_checksum              9597
_shelx_hkl_checksum              89275