Crystallography Open Database

Information card for entry 7712824

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Coordinates	7712824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.42 H70.84 Cl4.84 Ir2 N8
Calculated formula	C109.42 H70.84 Cl4.84 Ir2 N8
Title of publication	Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes
Authors of publication	Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav
Journal of publication	Dalton Transactions
Year of publication	2023
a	16.251 ± 0.003 Å
b	35.942 ± 0.006 Å
c	37.688 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	22013 ± 7 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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