Crystallography Open Database

Information card for entry 4309851

Preview

Coordinates	4309851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N3 O7 Ru S
Calculated formula	C19 H17 N3 O7 Ru S
SMILES	[Ru]123([S](=O)(C)C)(OC(=O)C(=O)O1)[n]1c(c4cccc[n]34)cccc1c1[n]2cccc1.O.O
Title of publication	Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes
Authors of publication	Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8065 - 8075
a	11.589 ± 0.006 Å
b	8.894 ± 0.004 Å
c	20.509 ± 0.01 Å
α	90°
β	101.832 ± 0.01°
γ	90°
Cell volume	2069 ± 1.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.1026
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.895
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4309851.html