Crystallography Open Database

Information card for entry 7708975

Preview

Coordinates	7708975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cl3 N4 O
Calculated formula	C12 H19 Cl3 N4 O
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	11.2416 ± 0.0011 Å
b	6.6518 ± 0.0007 Å
c	21.523 ± 0.002 Å
α	90°
β	104.61 ± 0.003°
γ	90°
Cell volume	1557.4 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0969
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7708975.cif
270950	2021-12-01	cif/ Adding structures of 7708973, 7708974, 7708975, 7708976 via cif-deposit CGI script.	7708975.cif