Crystallography Open Database

Information card for entry 7708562

Preview

Coordinates	7708562.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	POB-024 - 17OBA004
Formula	C40.74 H49.49 Cl1.49 Co4 N4 O20
Calculated formula	C40.743 H49.486 Cl1.486 Co4 N4 O20
Title of publication	Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation.
Authors of publication	Gutiérrez-Tarriño, Silvia; Gaona-Miguélez, José; Oña-Burgos, Pascual
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	11.7374 ± 0.0004 Å
b	13.1866 ± 0.0004 Å
c	18.5347 ± 0.0006 Å
α	103.879 ± 0.002°
β	103.877 ± 0.002°
γ	100.988 ± 0.002°
Cell volume	2608.31 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0725
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269959 (current)	2021-10-15	cif/ Adding structures of 7708562, 7708563, 7708564 via cif-deposit CGI script.	7708562.cif