Crystallography Open Database

Information card for entry 4509911

Preview

Coordinates	4509911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N4 Ni2 O17 V6
Calculated formula	C24 H24 N4 Ni2 O17 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	19.056 ± 0.009 Å
b	9.7904 ± 0.0015 Å
c	26.613 ± 0.007 Å
α	90°
β	134.35 ± 0.02°
γ	90°
Cell volume	3550 ± 2 Å³
Cell temperature	453 K
Ambient diffraction temperature	453 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	13.92
Goodness-of-fit parameter for all reflections	0.51
Method of determination	powder diffraction
Diffraction radiation wavelength	0.82548 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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