Crystallography Open Database

Information card for entry 4030856

Preview

Coordinates	4030856.cif

Structure parameters

Formula	Cl17 H28 N10 Ta5
Calculated formula	Cl17 H28 N10 Ta5
Title of publication	Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)
Authors of publication	Simon, M.; Meyer, G.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1997
Journal volume	34
Pages of publication	73 - 84
a	13.4072 ± 0.0009 Å
b	13.4072 ± 0.0009 Å
c	10.1224 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1819.5 ± 0.3 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1459
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
189050 (current)	2016-12-11	cif/4/03/08/ (antanas@echidna.ibt.lt) Renaming atoms 'C11', 'C12', 'C131', 'C132' to 'Cl1', 'Cl2', 'Cl31', 'Cl32', changing their atom site symbol from 'C' to 'Cl' and marking attached hydrogen atoms after consulting the original publication.	4030856.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4030856.cif
134340	2015-03-24	cif/ Adding structures of 4030856 via cif-deposit CGI script.	4030856.cif