Crystallography Open Database

Information card for entry 4332242

Preview

Coordinates	4332242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Cu2 N4 O13 P2 V2
Calculated formula	C25 H20 Cu2 N4 O13 P2 V2
Title of publication	Two New Hybrid Organic/Inorganic Copper(II)−Oxovanadate(V) Diphosphonates: [Cu2(phen)2(O3PCH2PO3)(V2O5)(H2O)]·H2O and [Cu2(phen)2(O3P(CH2)3PO3)(V2O5)]·C3H8. Synthesis, Structure, and Magnetic Properties
Authors of publication	Ushak, Svetlana; Spodine, Evgenia; Le Fur, Eric; Venegas-Yazigi, Diego; Pivan, Jean-Yves; Schnelle, Walter; Cardoso-Gil, Raul; Kniep, Rüdiger
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	14
Pages of publication	5393 - 5398
a	11.788 ± 0.0017 Å
b	17.887 ± 0.003 Å
c	14.158 ± 0.002 Å
α	90°
β	93.988 ± 0.002°
γ	90°
Cell volume	2978 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332242.cif
98183	2014-01-29	cif/ Adding structures of 4332242, 4332243 via cif-deposit CGI script.	4332242.cif