Crystallography Open Database

Information card for entry 7711820

Preview

Coordinates	7711820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 Cl2 N6 Ni O8
Calculated formula	C19 H28 Cl2 N6 Ni O8
SMILES	[Ni]1234([n]5c(C[NH]2CC[N]3(C)CC[NH]4Cc2[n]1cccc2)cccc5)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Modulating the electrocatalytic activity of mononuclear nickel complexes toward water oxidation by tertiary amine group
Authors of publication	Chen, Xiaoli; Liao, Xuehong; Dai, Chang; Zhu, Lihong; Li, Hong; Yang, Xueli; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.414 ± 0.003 Å
b	11.334 ± 0.003 Å
c	13.582 ± 0.003 Å
α	86.743 ± 0.009°
β	73.749 ± 0.01°
γ	66.423 ± 0.009°
Cell volume	1272.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0791
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
279447 (current)	2022-11-22	cif/ Adding structures of 7711819, 7711820, 7711821 via cif-deposit CGI script.	7711820.cif