Crystallography Open Database

Information card for entry 7707979

Preview

Coordinates	7707979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Cl4 Ru4 S2
Calculated formula	C40 H56 Cl4 Ru4 S2
SMILES	[Ru]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)[Ru]12345(Cl)([c]7([cH]5[cH]4[c]3([cH]2[cH]17)C(C)C)C)[S]6[S]1[Ru]23456(Cl)([Ru]789%10%111([c]1([cH]%11[cH]%10[c]9([cH]8[cH]71)C(C)C)C)Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
Title of publication	Stabilization of dichalcogenide ligands in the coordination sphere of a ruthenium system.
Authors of publication	Saha, Koushik; Gayen, Sourav; Kaur, Urminder; Roisnel, Thierry; Ghosh, Sundargopal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	12990 - 13001
a	14.8508 ± 0.0015 Å
b	17.518 ± 0.0018 Å
c	18.851 ± 0.002 Å
α	90°
β	106.413 ± 0.004°
γ	90°
Cell volume	4704.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0292
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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

Version history

Revision	Date	Message	Files
269709 (current)	2021-10-06	cif/ Updating files of 7707977, 7707978, 7707979 Original log message: Adding full bibliography for 7707977--7707979.cif.	7707979.cif
267982	2021-08-07	cif/ Adding structures of 7707977, 7707978, 7707979 via cif-deposit CGI script.	7707979.cif