Crystallography Open Database

Information card for entry 4515853

Preview

Coordinates	4515853.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Alon082916
Formula	C25 H30 B2 Co F8 N8 O3
Calculated formula	C25 H30 B2 Co F8 N8 O3
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	11.1267 ± 0.0014 Å
b	11.9052 ± 0.0015 Å
c	12.2051 ± 0.0016 Å
α	106.688 ± 0.008°
β	101.505 ± 0.008°
γ	100.107 ± 0.008°
Cell volume	1470.1 ± 0.3 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	0.202
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2724
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
225953 (current)	2019-11-10	cif/ Adding structures of 4515853 via cif-deposit CGI script.	4515853.cif