Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.
Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.; Inorganic chemistry 55 (2016) 2299–2308; doi:10.1021/acs.inorgchem.5b02691

data_4347071
_publ_section_title
;
 Steric and Electronic Influence of Aryl Isocyanides on the Properties of
 Iridium(III) Cyclometalates.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2299
_journal_page_last               2308
_journal_paper_doi               10.1021/acs.inorgchem.5b02691
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C42 H36 Cl2 F3 Ir N4 O3 S'
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_atom_sites_solution_hydrogens   geom
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_cell_length_c                   20.565(5)
_cell_measurement_reflns_used    9896
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_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_process_details   sadabs
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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^)+(0.0420P)^2^+5.6072P] where P=(Fo^2^+2Fc^2^)/3'
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