Crystallography Open Database

Information card for entry 1568504

Preview

Coordinates	1568504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 Co2 N16 O21 V6
Calculated formula	C60 H64 Co2 N16 O21 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	9.8603 ± 0.0003 Å
b	12.1228 ± 0.0004 Å
c	17.2505 ± 0.0004 Å
α	79.422 ± 0.002°
β	80.163 ± 0.002°
γ	76.369 ± 0.003°
Cell volume	1952.25 ± 0.1 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2514
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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.	1568504.cif
281097	2023-02-23	cif/ Adding structures of 1568503, 1568504, 1568505, 1568506 via cif-deposit CGI script.	1568504.cif