Crystallography Open Database

Information card for entry 1567508

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Coordinates	1567508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N
Calculated formula	C23 H17 N
Title of publication	Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes
Authors of publication	Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay
Journal of publication	Chemical Science
Year of publication	2022
a	17.7468 ± 0.0011 Å
b	5.5397 ± 0.0004 Å
c	7.8676 ± 0.0005 Å
α	90°
β	95.986 ± 0.006°
γ	90°
Cell volume	769.26 ± 0.09 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.2065
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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