Crystallography Open Database

Information card for entry 7225900

Preview

Coordinates	7225900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl2 N2 O3 Ru S2
Calculated formula	C26 H30 Cl2 N2 O3 Ru S2
SMILES	[Ru]12345(Cl)(Cl)([S]=C(N[C@H](Cc6ccccc6)C(=O)OC)/NC(=O)c6sccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
Title of publication	Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones
Authors of publication	Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.
Journal of publication	RSC Adv.
Year of publication	2016
a	11.408 ± 0.003 Å
b	13.27 ± 0.005 Å
c	18.477 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2797.1 ± 1.4 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0263
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
184388 (current)	2016-07-12	cif/ Adding structures of 7225900, 7225901, 7225902 via cif-deposit CGI script.	7225900.cif