Crystallography Open Database

Information card for entry 7157985

Preview

Coordinates	7157985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Cl F N P Ru
Calculated formula	C4.25806 H4.51613 Cl0.129032 F0.387097 N0.258065 P0.193548 Ru0.129032
Title of publication	Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.
Authors of publication	Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	15
Pages of publication	3451 - 3461
a	12.9079 ± 0.0002 Å
b	14.7545 ± 0.0002 Å
c	35.0697 ± 0.0004 Å
α	90°
β	95.042 ± 0.001°
γ	90°
Cell volume	6653.17 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0442
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
264960 (current)	2021-05-05	cif/ Updating files of 7157983, 7157984, 7157985 Original log message: Adding full bibliography for 7157983--7157985.cif.	7157985.cif
263212	2021-03-21	cif/ Adding structures of 7157983, 7157984, 7157985 via cif-deposit CGI script.	7157985.cif