Crystallography Open Database

Information card for entry 7708974

Preview

Coordinates	7708974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Br2 N2
Calculated formula	C12 H10 Br2 N2
Title of publication	Novel ruthenium complexes bearing bipyridine-based and N-heterocyclic carbene-supported pyridine (NCN) ligands: the influence of ligands on catalytic transfer hydrogenation of ketones.
Authors of publication	Piyasaengthong, Akkharadet; Williams, Luke J.; Yufit, Dmitry S.; Walton, James W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	340 - 351
a	12.01 ± 0.0004 Å
b	4.4177 ± 0.0002 Å
c	10.9527 ± 0.0004 Å
α	90°
β	94.1004 ± 0.0014°
γ	90°
Cell volume	579.63 ± 0.04 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.0241
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
272644 (current)	2022-02-04	cif/ Updating files of 7708973, 7708974, 7708975, 7708976 Original log message: Adding full bibliography for 7708973--7708976.cif.	7708974.cif
270950	2021-12-01	cif/ Adding structures of 7708973, 7708974, 7708975, 7708976 via cif-deposit CGI script.	7708974.cif