Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.
Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.; Journal of the American Chemical Society 141 (2019) 17092–17097; doi:10.1021/jacs.9b09445

data_4127898
_publ_section_title
;
 Strong \p-Backbonding Enables Record Magnetic Exchange Coupling Through
 Cyanide.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17092
_journal_page_last               17097
_journal_paper_doi               10.1021/jacs.9b09445
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety
'C64 H92 B Fe Mo N10, 0.225(C4 H10 O), 0.775(C5 H12)'
_chemical_formula_sum            'C68.78 H103.55 B Fe Mo N10 O0.23'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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'0.50 degree frames measured for 1 seconds each'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0207P)^2^+8.5006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                12280
_reflns_number_total             15536
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.948
_shelx_estimated_absorpt_t_max   0.969
_shelx_res_checksum              61801
_shelx_hkl_checksum              33526