Crystallography Open Database

Information card for entry 7054539

Preview

Coordinates	7054539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Br2 N2
Calculated formula	C28 H16 Br2 N2
SMILES	Brc1cccc(C2=C/C(=C\3C=C(c4cccc(n4)Br)c4ccccc34)c3ccccc23)n1
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	23.277 ± 0.016 Å
b	6.251 ± 0.004 Å
c	14.611 ± 0.011 Å
α	90°
β	92.423 ± 0.012°
γ	90°
Cell volume	2124 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054539.html