Crystallography Open Database

Information card for entry 4515851

Preview

Coordinates	4515851.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Alon091216
Formula	C26 H28 B2 Co F8 N8 O
Calculated formula	C26 H28 B2 Co F8 N8 O
Title of publication	Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.
Authors of publication	Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.
Journal of publication	ACS central science
Year of publication	2018
Journal volume	4
Journal issue	3
Pages of publication	397 - 404
a	10.1224 ± 0.0007 Å
b	11.5342 ± 0.0008 Å
c	12.3686 ± 0.0008 Å
α	84.499 ± 0.005°
β	89.722 ± 0.005°
γ	77.529 ± 0.005°
Cell volume	1403.33 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225951 (current)	2019-11-10	cif/ Adding structures of 4515851 via cif-deposit CGI script.	4515851.cif