Crystallography Open Database

Information card for entry 7061695

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Coordinates	7061695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Cl N O Ru
Calculated formula	C15 H12 Cl N O Ru
Title of publication	Formic acid dehydrogenation by [Ru(η6-benzene)(L)Cl] catalysts: L = 2-methylquinolin-8-olate and quinolin-8-olate
Authors of publication	Vatsa, Aditi; Padhi, Sumanta Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	32
Pages of publication	15723 - 15731
a	7.3837 ± 0.0009 Å
b	15.434 ± 0.002 Å
c	12.6134 ± 0.0018 Å
α	90°
β	117.249 ± 0.01°
γ	90°
Cell volume	1277.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
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	0.0544
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.0164
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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