Crystallography Open Database

Information card for entry 1561579

Preview

Coordinates	1561579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NH4NiCl2(HCOO)
Chemical name	NH4NiCl2(HCOO)
Formula	C H5 Cl2 N Ni O2
Calculated formula	C H5 Cl2 N Ni O2
SMILES	[Ni]12(OC=O)([Cl][Ni]([Cl]2)OC=[O]1)(Cl)Cl.[NH4+].[NH4+]
Title of publication	Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)
Authors of publication	Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	236
Pages of publication	222 - 229
a	7.598 ± 0.0015 Å
b	11.336 ± 0.002 Å
c	6.753 ± 0.0014 Å
α	90°
β	107.68 ± 0.03°
γ	90°
Cell volume	554.2 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0394
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
263984 (current)	2021-04-08	cif/ Adding structures of 1561578, 1561579 via cif-deposit CGI script.	1561579.cif