Crystallography Open Database

Information card for entry 7048677

Preview

Coordinates	7048677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H51 B10 Cl2 N2 O Ru S2
Calculated formula	C34 H51 B10 Cl2 N2 O Ru S2
Title of publication	Synthesis, catalysis, and DFT study of a ruthenium carbene complex bearing a 1,2-dicarbadodecaborane (12)-1,2-dithiolate ligand.
Authors of publication	Wang, Tao; Wu, Botao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Dang, Yanfeng; Wang, Jianhui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	8
Pages of publication	2646 - 2656
a	11.21465 ± 0.00012 Å
b	21.5494 ± 0.0002 Å
c	17.6658 ± 0.0002 Å
α	90°
β	104.998 ± 0.0012°
γ	90°
Cell volume	4123.85 ± 0.08 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	8
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	0.0408
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223960 (current)	2019-11-07	cif/ Updating files of 7048677 Original log message: Adding full bibliography for 7048677.cif.	7048677.cif
213244	2019-01-22	cif/ Adding structures of 7048677 via cif-deposit CGI script.	7048677.cif