Crystallography Open Database

Information card for entry 1518683

Preview

Coordinates	1518683.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	5.7531 ± 0.0003 Å
b	7.6604 ± 0.0004 Å
c	11.4876 ± 0.0006 Å
α	106.347 ± 0.002°
β	98.45 ± 0.002°
γ	101.538 ± 0.002°
Cell volume	464.73 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0425
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	1518683.cif
131253	2015-02-06	cif/ Adding structures of 1518683, 1518684 via cif-deposit CGI script.	1518683.cif