Beyond the Butterfly: Sc2C2@C2v(9)-C86, an Endohedral Fullerene Containing a Planar, Twisted Sc2C2 Unit with Remarkable Crystalline Order in an Unprecedented Carbon Cage.
Chen, Chia-Hsiang; Ghiassi, Kamran B.; Cerón, Maira R; Guerrero-Ayala, Miguel A; Echegoyen, Luis; Olmstead, Marilyn M.; Balch, Alan L.; Journal of the American Chemical Society 137 (2015) 10116–10119; doi:10.1021/jacs.5b06425

data_4124263
_publ_section_title
;
 Beyond the Butterfly: Sc2C2@C2v(9)-C86, an Endohedral Fullerene
 Containing a Planar, Twisted Sc2C2 Unit with Remarkable Crystalline Order
 in an Unprecedented Carbon Cage.
;
_journal_issue                   32
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10116
_journal_page_last               10119
_journal_paper_doi               10.1021/jacs.5b06425
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C88 Sc2, C36 H44 N4 Ni, 2(C7 H8)'
_chemical_formula_sum            'C138 H60 N4 Ni Sc2'
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_chemical_name_common            'Sc2C2@C2v(9)-C86 . Ni(OEP) . 2 C7H8'
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_space_group_name_Hall           '-P 2ybc'
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_diffrn_measurement_device_type  'Bruker PHOTON100 CMOS diffractometer'
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'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+8.0751P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            ja5b06425_si_001.cif
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_cod_depositor_comments          'Adding full bibliography for 4124263.cif.'
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