Crystallography Open Database

Information card for entry 7716204

Preview

Coordinates	7716204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N2 O2 Ru S4
Calculated formula	C18 H22 N2 O2 Ru S4
SMILES	[Ru]123([S]=C(S1)OC(C)C)([S]=C(S2)OC(C)C)[n]1ccccc1c1[n]3cccc1
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	12.6625 ± 0.0004 Å
b	11.482 ± 0.0004 Å
c	16.5225 ± 0.0006 Å
α	90°
β	105.703 ± 0.001°
γ	90°
Cell volume	2312.56 ± 0.14 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7716204.cif
292105	2024-05-30	cif/ Adding structures of 7716201, 7716202, 7716203, 7716204, 7716205, 7716206 via cif-deposit CGI script.	7716204.cif