Crystallography Open Database

Information card for entry 4511805

Preview

Coordinates	4511805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Ba3 O24.13 V2
Calculated formula	C10 H4 Ba3 O24.135 V2
Title of publication	Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method
Authors of publication	Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4749
a	10.2382 ± 0.001 Å
b	14.5463 ± 0.0014 Å
c	15.2328 ± 0.0014 Å
α	90°
β	90.807 ± 0.002°
γ	90°
Cell volume	2268.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0415
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511805.cif
122871	2014-09-06	cif/ Updating files of 4511803, 4511804, 4511805 Original log message: Adding full bibliography for 4511803--4511805.cif.	4511805.cif
122353	2014-08-22	cif/ Adding structures of 4511803, 4511804, 4511805 via cif-deposit CGI script.	4511805.cif