Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.
Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.; Chemical communications (Cambridge, England) 56 (2020) 9675–9678; doi:10.1039/d0cc03521a

data_7126891
_publ_section_title
;
 Unusual cyanide and methyl binding modes at a dicobalt macrocycle
 following acetonitrile C-C bond activation.
;
_journal_issue                   67
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9675
_journal_page_last               9678
_journal_paper_doi               10.1039/d0cc03521a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety
'2(C39 H64 Co2 N7 P2), 2(C F3 O3 S), 2(C6 H5 F), (C5 H12)'
_chemical_formula_sum            'C97 H150 Co4 F8 N14 O6 P4 S2'
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_space_group_name_Hall           'C -2y'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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2020-05-06 deposited with the CCDC.	2020-07-10 downloaded from the CCDC.
;
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;
 Flack x determined using 3854 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(3)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0585P)^2^+5.3801P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 7126890--7126893.cif.'
_cod_database_code               7126891
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.941
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