Crystallography Open Database

Information card for entry 1568506

Preview

Coordinates	1568506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H120 N16 O23 V6
Calculated formula	C72 H120 N16 O23 V6
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	17.1948 ± 0.0003 Å
b	15.4967 ± 0.0002 Å
c	18.288 ± 0.0004 Å
α	90°
β	116.713 ± 0.003°
γ	90°
Cell volume	4352.96 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 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	0.0722
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	1568506.cif
281097	2023-02-23	cif/ Adding structures of 1568503, 1568504, 1568505, 1568506 via cif-deposit CGI script.	1568506.cif