Crystallography Open Database

Information card for entry 7716205

Preview

Coordinates	7716205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 O4 Ru S6
Calculated formula	C10 H22 O4 Ru S6
SMILES	[Ru]12([S]=C(S1)OCC)([S](=O)(C)C)([S]=C(S2)OCC)[S](=O)(C)C
Title of publication	Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.
Authors of publication	Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10675 - 10685
a	11.6867 ± 0.0016 Å
b	11.6375 ± 0.0016 Å
c	29.571 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4021.8 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
293081 (current)	2024-07-05	cif/ Updating files of 7716201, 7716202, 7716203, 7716204, 7716205, 7716206 Original log message: Adding full bibliography for 7716201--7716206.cif.	7716205.cif
292105	2024-05-30	cif/ Adding structures of 7716201, 7716202, 7716203, 7716204, 7716205, 7716206 via cif-deposit CGI script.	7716205.cif