Crystallography Open Database

Information card for entry 7707977

Preview

Coordinates	7707977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 B3 Ru Se7
Calculated formula	C10 H17 B3 Ru Se7
SMILES	[Ru]1234567([Se]8[Se][BH]9[Se]%10[BH]8[Se][Se]1[BH]%10[Se][Se]29)[cH]1[c]3([cH]4[cH]5[c]6([cH]71)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	8.264 ± 0.003 Å
b	17.571 ± 0.007 Å
c	14.898 ± 0.005 Å
α	90°
β	101.254 ± 0.016°
γ	90°
Cell volume	2121.7 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0423
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	0.812
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.	7707977.cif
267982	2021-08-07	cif/ Adding structures of 7707977, 7707978, 7707979 via cif-deposit CGI script.	7707977.cif