Crystallography Open Database

Information card for entry 1567141

Preview

Coordinates	1567141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 N4 Ni O4 S
Calculated formula	C12 H16 N4 Ni O4 S
SMILES	[Ni]12(OS(=O)(=O)O[Ni]34([NH2]c5ccccc5[NH2]3)(OS([O-])(=O)=O)[NH2]c3ccccc3[NH2]4)([NH2]c3ccccc3[NH2]1)[NH2]c1ccccc1[NH2]2
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	23.012 ± 0.003 Å
b	6.0848 ± 0.0009 Å
c	10.6386 ± 0.0013 Å
α	90°
β	91.194 ± 0.009°
γ	90°
Cell volume	1489.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for all reflections	0.0656
Weighted residual factors for significantly intense reflections	0.0656
Goodness-of-fit parameter for all reflections	3.7
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.	1567141.cif
276064	2022-06-16	cif/ Adding structures of 1567140, 1567141, 1567142 via cif-deposit CGI script.	1567141.cif