Crystallography Open Database

Information card for entry 4307903

Preview

Coordinates	4307903.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper-ammonia hexaniobate
Formula	Cu1.75 N3.5 Nb3 O15.5 Rb0.5
Calculated formula	Cu1.75 N3.5 Nb3 O15.495 Rb0.5
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	8.752 ± 0.0007 Å
b	13.0771 ± 0.001 Å
c	15.928 ± 0.0013 Å
α	86.619 ± 0.001°
β	83.649 ± 0.001°
γ	88.044 ± 0.001°
Cell volume	1807.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307903.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307903.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307903.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307903.cif