Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
M'hamedi, Ahmed; Batsanov, Andrei S.; Acta Crystallographica Section E 76 (2020) 392–399; doi:10.1107/S2056989020001784

data_2243351
_publ_section_title
;
 Phosphorescent mono- and diiridium(III) complexes cyclometalated by
 fluorenyl- or phenyl-pyridino ligands with bulky substituents, as
 prospective OLED dopants
;
_journal_coeditor_code           HB7885
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              392
_journal_page_last               399
_journal_paper_doi               10.1107/S2056989020001784
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac
'[Ir2 (C20 H19 N)4 (C18 H6 F12 N2 O2)], 2.3C6 H5 Cl, 0.4C5 H12'
_chemical_formula_moiety
'C98 H78 F12 Ir2 N6 O2, 2.3(C6 H5 Cl), 0.4(C5 H12)'
_chemical_formula_sum            'C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2'
_chemical_formula_weight         2271.78
_chemical_name_systematic
'{\m-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-\k^2^<i>C</i>^1^,<i>N</i>'}iridium)--chlorobenzene--pentane (1/2.3/0.4)'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
Olex2 1.3-alpha
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
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SAINT (Bruker, 2017)
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2017)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL2018 (Sheldrick, 2015b)
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ShelXS2013 (Sheldrick, 2008)
;
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;
(SADABS; Krause <i>et al.</i>,  2015)
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0372P)^2^+2.3279P] where P=(Fo^2^+2Fc^2^)/3'
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