A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.
Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9735–9742; doi:10.1039/d0dt02237c

data_7705015
_publ_section_title
;
 A four-parameter system for rationalising the electronic properties of
 transition metal-radical ligand complexes.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9735
_journal_page_last               9742
_journal_paper_doi               10.1039/d0dt02237c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C94 H93 B F24 P Pd S2'
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_audit_update_record
;
2019-10-22 deposited with the CCDC.	2020-07-02 downloaded from the CCDC.
;
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_diffrn_reflns_limit_l_min       -24
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_exptl_absorpt_coefficient_mu    0.335
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            brown
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_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.067
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0735
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_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^)+(0.0591P)^2^+5.9232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1243
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15072
_reflns_number_total             20034
_reflns_threshold_expression     'I > 2\s(I)'
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