Crystallography Open Database

Information card for entry 7157983

Preview

Coordinates	7157983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H43 Cl2 N2 P Ru
Calculated formula	C41 H43 Cl2 N2 P Ru
SMILES	[Ru]123456(Cl)([P](c7ccccc7CN7C=1N(c1c(cc(cc1C)C)C)C=C7)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]4[c]3([cH]6[cH]51)C)C(C)C.[Cl-]
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	10.0105 ± 0.0003 Å
b	11.3092 ± 0.0004 Å
c	19.085 ± 0.0007 Å
α	85.671 ± 0.003°
β	78.534 ± 0.003°
γ	67.01 ± 0.003°
Cell volume	1949.31 ± 0.12 Å³
Cell temperature	282.72 ± 0.1 K
Ambient diffraction temperature	282.72 ± 0.1 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	0.0336
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7157983.cif
263212	2021-03-21	cif/ Adding structures of 7157983, 7157984, 7157985 via cif-deposit CGI script.	7157983.cif