Crystallography Open Database

Information card for entry 4341435

Preview

Coordinates	4341435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 N2 O7 Se2 V
Calculated formula	C5 H14 N2 O7 Se2 V
Title of publication	Formation Principles for Vanadium Selenites: The Role of pH on Product Composition
Authors of publication	Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141103102403006
a	7.9731 ± 0.0015 Å
b	8.6063 ± 0.0016 Å
c	8.781 ± 0.0016 Å
α	90°
β	90.023 ± 0.002°
γ	90°
Cell volume	602.54 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for all reflections	0.0827
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.9997
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.	4341435.cif
126206	2014-11-04	cif/ Adding structures of 4341433, 4341434, 4341435, 4341436, 4341437 via cif-deposit CGI script.	4341435.cif