Crystallography Open Database

Information card for entry 1560623

Preview

Coordinates	1560623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N2 Ni O6
Calculated formula	C14 H16 N2 Ni O6
SMILES	[Ni]12(Oc3c(cc(cc3)C(=O)[O-])C=[N]1Cc1[n]2cccc1)([OH2])([OH2])[OH2]
Title of publication	Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures
Authors of publication	Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	246
Pages of publication	23 - 28
a	9.1197 ± 0.0005 Å
b	13.2536 ± 0.0006 Å
c	13.2132 ± 0.0006 Å
α	90°
β	99.554 ± 0.005°
γ	90°
Cell volume	1574.91 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0809
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
262214 (current)	2021-02-25	cif/ Adding structures of 1560623, 1560624 via cif-deposit CGI script.	1560623.cif