Crystallography Open Database

Information card for entry 1567140

Preview

Coordinates	1567140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N4 Ni O4 S
Calculated formula	C12 H12 N4 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	28.3729 ± 0.0011 Å
b	6.5464 ± 0.0002 Å
c	7.3531 ± 0.0003 Å
α	90°
β	97.1 ± 0.004°
γ	90°
Cell volume	1355.29 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections	0.0604
Weighted residual factors for significantly intense reflections	0.0604
Goodness-of-fit parameter for all reflections	5.06
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.	1567140.cif
276064	2022-06-16	cif/ Adding structures of 1567140, 1567141, 1567142 via cif-deposit CGI script.	1567140.cif