Crystallography Open Database

Information card for entry 7708563

Preview

Coordinates	7708563.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	POB-076 - 17OBA005
Formula	C52.77 H54.41 Cl1.53 Co4 N4 O18.44
Calculated formula	C52.767 H54.4086 Cl1.534 Co4 N4 O18.4373
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	13.1722 ± 0.0003 Å
b	22.6021 ± 0.0005 Å
c	19.3273 ± 0.0004 Å
α	90°
β	105.554 ± 0.001°
γ	90°
Cell volume	5543.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7708563.cif