Crystallography Open Database

Information card for entry 7714404

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Coordinates	7714404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 F3 Ir N2 O2
Calculated formula	C32 H22 F3 Ir N2 O2
Title of publication	Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones
Authors of publication	Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.4446 ± 0.0006 Å
b	11.7077 ± 0.0006 Å
c	13.0847 ± 0.0007 Å
α	71.158 ± 0.002°
β	75.027 ± 0.002°
γ	67.214 ± 0.002°
Cell volume	1511.82 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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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