Crystallography Open Database

Information card for entry 4307904

Preview

Coordinates	4307904.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper-ammonia hexaniobate
Formula	Cu2.67 N2.67 Nb4 O22.67
Calculated formula	Cu2.66667 N2.66667 Nb4 O22.6667
Title of publication	Copper-Linked Hexaniobate Lindqvist Clusters Variations on a Theme
Authors of publication	Ranko P. Bontchev; Eugene L. Venturini; May Nyman
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4483 - 4491
a	13.6592 ± 0.0011 Å
b	8.8725 ± 0.0007 Å
c	13.8676 ± 0.001 Å
α	90°
β	96.446 ± 0.003°
γ	90°
Cell volume	1670 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179117 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/79.	4307904.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307904.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307904.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307904.cif