Crystallography Open Database

Information card for entry 7711819

Preview

Coordinates	7711819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Cl2 N5 Ni O10
Calculated formula	C16 H27 Cl2 N5 Ni O10
SMILES	[Ni]1234([n]5ccccc5C[NH]4CC[NH]2CC[NH]3Cc2[n]1cccc2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=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	8.5418 ± 0.0009 Å
b	10.8038 ± 0.001 Å
c	26.763 ± 0.003 Å
α	90°
β	92.943 ± 0.004°
γ	90°
Cell volume	2466.5 ± 0.4 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
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	0.0551
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7711819.cif