Crystallography Open Database

Information card for entry 4508309

Preview

Coordinates	4508309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 N2 O14 Se2 V2
Calculated formula	C7 H18 N2 O14 Se2 V2
Title of publication	Formation Principles for Templated Vanadium Selenite Oxalates
Authors of publication	Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4504
a	9.2248 ± 0.0002 Å
b	11.2499 ± 0.0003 Å
c	9.3512 ± 0.0002 Å
α	90°
β	116.378 ± 0.0015°
γ	90°
Cell volume	869.41 ± 0.04 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	0.0387
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for all reflections	0.058
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	0.9636
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
179619 (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 4/50/83.	4508309.cif
88995	2013-10-09	cif/ Adding structures of 4508303, 4508304, 4508305, 4508306, 4508307, 4508308, 4508309, 4508310, 4508311 via cif-deposit CGI script.	4508309.cif