Crystallography Open Database

Information card for entry 7714144

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Coordinates	7714144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H52 Cl14 F4 Ir2 N8
Calculated formula	C80 H52 Cl14 F4 Ir2 N8
Title of publication	Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands
Authors of publication	Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav
Journal of publication	Dalton Transactions
Year of publication	2023
a	20.4091 ± 0.0008 Å
b	15.0372 ± 0.0005 Å
c	25.0183 ± 0.0011 Å
α	90°
β	99.107 ± 0.002°
γ	90°
Cell volume	7581.2 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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