Crystallography Open Database

Information card for entry 1567509

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Coordinates	1567509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 F4 Ir N3
Calculated formula	C34 H22 F4 Ir N3
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	33.9701 ± 0.0005 Å
b	8.77822 ± 0.00019 Å
c	18.031 ± 0.0003 Å
α	90°
β	98.898 ± 0.0014°
γ	90°
Cell volume	5312.08 ± 0.17 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
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	0.0503
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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