Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.
Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Journal of the American Chemical Society 138 (2016) 16592–16595; doi:10.1021/jacs.6b09890

data_4125330
_publ_section_title
;
 Spin Crossover in Anionic Cobalt-Bridged Fullerene
 (Bu4N(+)){Co(Ph3P)}2(\m2-Cl(-))(\m2-\h(2),\h(2)-C60)2 Dimers.
;
_journal_issue                   51
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16592
_journal_page_last               16595
_journal_paper_doi               10.1021/jacs.6b09890
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C156 H30 Cl Co P2, C16 H36 N, 2(C6 H14)'
_chemical_formula_sum            'C184 H94 Cl Co2 N P2'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_date
;
'Fri Nov 18 17:11:18 2016'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.453
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0698P)^2^+7.0251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9556
_reflns_number_total             15086
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b09890_si_002.cif
_cod_data_source_block           CoPh3PC602Cl_TBA_300K
_cod_depositor_comments
'Adding full bibliography for 4125329--4125330.cif.'
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_shelx_estimated_absorpt_t_min   0.848
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