Crystallography Open Database

Information card for entry 7242624

Preview

Coordinates	7242624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H26 N4 O9 Ru S3
Calculated formula	C14 H26 N4 O9 Ru S3
SMILES	[Ru]([S](=O)=O)([OH2])([NH3])([NH3])([NH3])[NH3].S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C
Title of publication	Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex
Authors of publication	Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	13183 - 13192
a	6.6947 ± 0.0003 Å
b	13.0994 ± 0.0005 Å
c	13.5996 ± 0.0005 Å
α	94.514 ± 0.001°
β	92.68 ± 0.001°
γ	103.521 ± 0.001°
Cell volume	1153.37 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263999 (current)	2021-04-09	cif/ Adding structures of 7242624, 7242625 via cif-deposit CGI script.	7242624.cif