Crystallography Open Database

Information card for entry 1518684

Preview

Coordinates	1518684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H12 N2 Ni O12
Calculated formula	H12 N2 Ni O12
SMILES	[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
Authors of publication	Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.
Journal of publication	Journal of Crystal Growth
Year of publication	2015
Journal volume	412
Pages of publication	1
a	5.8056 ± 0.0002 Å
b	7.7023 ± 0.0003 Å
c	11.6864 ± 0.0004 Å
α	105.841 ± 0.002°
β	98.451 ± 0.002°
γ	102.203 ± 0.002°
Cell volume	479.59 ± 0.03 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518684.cif
131253	2015-02-06	cif/ Adding structures of 1518683, 1518684 via cif-deposit CGI script.	1518684.cif