Crystallography Open Database

Information card for entry 4507748

Preview

Coordinates	4507748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 N2 O10 Te2 V2
Calculated formula	C6 H18 N2 O10 Te2 V2
Title of publication	Steric-Induced Layer Flection in Templated Vanadium Tellurites
Authors of publication	Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	2190
a	10.6381 ± 0.0017 Å
b	6.3982 ± 0.0011 Å
c	11.6427 ± 0.0019 Å
α	90°
β	105.109 ± 0.002°
γ	90°
Cell volume	765.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for all reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179613 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/77.	4507748.cif
85659	2013-05-07	cif/ Adding structures of 4507746, 4507747, 4507748 via cif-deposit CGI script.	4507748.cif