Crystallography Open Database

Information card for entry 7711821

Preview

Coordinates	7711821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl2 N5 O9 Zn
Calculated formula	C17 H27 Cl2 N5 O9 Zn
SMILES	[Zn]1234([OH2])[n]5ccccc5C[NH]3CC[N]2(C)CC[NH]1Cc1[n]4cccc1.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	8.739 ± 0.007 Å
b	17.836 ± 0.014 Å
c	15.852 ± 0.014 Å
α	90°
β	100.78 ± 0.03°
γ	90°
Cell volume	2427 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7711821.cif