Crystallography Open Database

Information card for entry 4326886

Preview

Coordinates	4326886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 Cl N O4 Ru S4
Calculated formula	C21 H28 Cl N O4 Ru S4
SMILES	c12ccccc1c1cccc[n]1[Ru]1342[S]2CC[S]1CCC[S]3CC[S]4CCC2.Cl(=O)(=O)(=O)[O-]
Title of publication	Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies
Authors of publication	Siu-Chung Chan; Ho-Yuen Cheung; Chun-Yuen Wong
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11636 - 11643
a	12.6108 ± 0.0003 Å
b	12.7982 ± 0.0003 Å
c	14.974 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2416.74 ± 0.09 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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