Crystallography Open Database

Information card for entry 1567142

Preview

Coordinates	1567142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 N2 Ni O4 S
Calculated formula	C6 H8 N2 Ni O4 S
Title of publication	Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates
Authors of publication	González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	31
Pages of publication	14786 - 14792
a	6.476 ± 0.0006 Å
b	7.2221 ± 0.0007 Å
c	16.615 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	777.09 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0359
Goodness-of-fit parameter for all reflections	3.18
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277676 (current)	2022-09-06	cif/ Updating files of 1567140, 1567141, 1567142 Original log message: Adding full bibliography for 1567140--1567142.cif.	1567142.cif
276064	2022-06-16	cif/ Adding structures of 1567140, 1567141, 1567142 via cif-deposit CGI script.	1567142.cif