Crystallography Open Database

Information card for entry 1568505

Preview

Coordinates	1568505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H47 Co N12 O25 V6 Zn
Calculated formula	C42 H39 Co N12 O23 V6 Zn
Title of publication	Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.
Authors of publication	Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	11
Pages of publication	3048 - 3055
a	13.0369 ± 0.0018 Å
b	27.261 ± 0.003 Å
c	18.467 ± 0.003 Å
α	90°
β	105.569 ± 0.015°
γ	90°
Cell volume	6322.3 ± 1.6 Å³
Cell temperature	119 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.195
Residual factor for significantly intense reflections	0.1281
Weighted residual factors for significantly intense reflections	0.3164
Weighted residual factors for all reflections included in the refinement	0.3634
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
283189 (current)	2023-05-05	cif/ Updating files of 1568503, 1568504, 1568505, 1568506 Original log message: Adding full bibliography for 1568503--1568506.cif.	1568505.cif
281097	2023-02-23	cif/ Adding structures of 1568503, 1568504, 1568505, 1568506 via cif-deposit CGI script.	1568505.cif