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_4346590
_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            'C92 Cl20.84'
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_diffrn_measured_fraction_theta_max 0.944
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_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_type   none
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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^)+(0.0500P)^2^+35.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             29200
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           FR91VSB1
_cod_original_cell_volume        12960.1(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4346590
_shelx_shelxl_version_number     2014/7
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