New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.
Tamm, Nadezhda B.; Troyanov, Sergey I.; Inorganic chemistry 54 (2015) 10527–10529; doi:10.1021/acs.inorgchem.5b01740

data_4346591
_publ_section_title
;
 New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and
 Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10527
_journal_page_last               10529
_journal_paper_doi               10.1021/acs.inorgchem.5b01740
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C124 H20 F48'
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_diffrn_measured_fraction_theta_max 0.892
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_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
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_exptl_crystal_description       plate
_exptl_crystal_F_000             9568
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+65.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             20561
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01740_si_007.cif
_cod_data_source_block           F8P27
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4346591
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.995
_shelx_estimated_absorpt_t_max   0.998
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