Crystallography Open Database

Information card for entry 7054537

Preview

Coordinates	7054537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H8 Br N O9 Ru3
Calculated formula	C23 H8 Br N O9 Ru3
SMILES	Brc1cccc2[c]34[c]56cccc[c]75[cH]5[c]83[Ru](C#[O])(C#[O])(C#[O])([n]12)[Ru](C#[O])(C#[O])(C#[O])(C#[O])[Ru]46758(C#[O])C#[O]
Title of publication	Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene
Authors of publication	Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	2
Pages of publication	1075
a	10.13 ± 0.003 Å
b	10.886 ± 0.003 Å
c	11.806 ± 0.003 Å
α	95.962 ± 0.004°
β	105.519 ± 0.003°
γ	93.803 ± 0.003°
Cell volume	1241.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054537.cif
131107	2015-02-04	cif/ Updating files of 7054537, 7054538, 7054539, 7054540, 7054541, 7054542 Original log message: Adding full bibliography for 7054537--7054542.cif.	7054537.cif
127294	2014-11-13	cif/ Adding structures of 7054537, 7054538, 7054539, 7054540, 7054541, 7054542 via cif-deposit CGI script.	7054537.cif