Crystallography Open Database

Information card for entry 1564842

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Coordinates	1564842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 Cl F3 N7 O3 Ru S
Calculated formula	C33 H25 Cl F3 N7 O3 Ru S
SMILES	[Ru]123([n]4ccccc4N/C3=N/c3ccc(Cl)cc3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity
Authors of publication	Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu
Journal of publication	Chemical Science
Year of publication	2021
a	20.2684 ± 0.0004 Å
b	9.7474 ± 0.0002 Å
c	32.7825 ± 0.0007 Å
α	90°
β	91.016 ± 0.001°
γ	90°
Cell volume	6475.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0471
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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