Crystallography Open Database

Information card for entry 4509912

Preview

Coordinates	4509912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N4 Ni2 O19 V6
Calculated formula	C24 H24 N4 Ni2 O19 V6
Title of publication	Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change
Authors of publication	Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	658
a	19.6177 ± 0.001 Å
b	9.3725 ± 0.0003 Å
c	26.6897 ± 0.0017 Å
α	90°
β	132.445 ± 0.008°
γ	90°
Cell volume	3621.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.2315
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179635 (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 4/50/99.	4509912.cif
104125	2014-03-10	cif/ Adding structures of 4509912 via cif-deposit CGI script.	4509912.cif