A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues
Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal; New Journal of Chemistry 44 (2020) 674–683; doi:10.1039/C9NJ05117A

data_7059147
_publ_section_title
;
 A combined experimental and theoretical study of bimetallic bis- and
 tris-homocubane analogues
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              674
_journal_page_last               683
_journal_paper_doi               10.1039/C9NJ05117A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C20 H34 B2 Ir2 S6'
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_audit_update_record
;
2019-11-19 deposited with the CCDC.	2019-11-27 downloaded from the CCDC.
;
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0687P)^2^+60.8975P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3057
_reflns_number_total             4752
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05117a2.cif
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_cod_depositor_comments
;Adding full bibliography for 7059145--7059151.cif.

 Adding full bibliography for 7059145--7059151.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_res_checksum              87944