Crystallography Open Database

Information card for entry 1568590

Preview

Coordinates	1568590.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nickel(II) chloride hexahydrate
Formula	Cl2 H12 Ni O6
Calculated formula	Cl2 H12 Ni O6
Title of publication	Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Authors of publication	Boeré, René T.
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	2
Pages of publication	293
a	6.5579 ± 0.0002 Å
b	7.0244 ± 0.0003 Å
c	8.7291 ± 0.0003 Å
α	90°
β	96.702 ± 0.004°
γ	90°
Cell volume	399.36 ± 0.03 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.0438
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281627 (current)	2023-03-05	cif/ Adding structures of 1568587, 1568588, 1568589, 1568590 via cif-deposit CGI script.	1568590.cif