Crystallography Open Database

Information card for entry 4341434

Preview

Coordinates	4341434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H18 N2 O21 Se6 V3
Calculated formula	C5 H18 N2 O21 Se6 V3
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	8.0532 ± 0.0017 Å
b	8.9284 ± 0.0019 Å
c	9.111 ± 0.002 Å
α	93.563 ± 0.003°
β	108.91 ± 0.002°
γ	103.594 ± 0.003°
Cell volume	595.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341434.cif
126206	2014-11-04	cif/ Adding structures of 4341433, 4341434, 4341435, 4341436, 4341437 via cif-deposit CGI script.	4341434.cif