Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.
Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12985–12989; doi:10.1039/d0dt02205e

data_7705217
_publ_section_title
;
 Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives:
 synthesis, electrochemistry and optical properties.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12985
_journal_page_last               12989
_journal_paper_doi               10.1039/d0dt02205e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C26 H20 B10 F8 S2'
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_space_group_name_Hall           'P 2c -2n'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-06-19 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;
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_cell_volume                     5774.8(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
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_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_method       'oscillation method'
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_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_description       needle
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;
 Flack x determined using 3875 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.34(4)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1312
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3492
_refine_ls_wR_factor_ref         0.3603
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_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                10537
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02205e3.cif
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_cod_depositor_comments
'Adding full bibliography for 7705216--7705217.cif.'
_cod_database_code               7705217
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.962
_shelx_estimated_absorpt_t_max   0.975
_shelx_res_checksum              64993