Crystallography Open Database

Information card for entry 1553989

Preview

Structure parameters

Formula	C20 H20 B2 Co F8 N6 O2
Calculated formula	C20 H20 B2 Co F8 N6 O2
SMILES	[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1cccc2[n]1[Co]13([n]4c(cccc4c4[n]1c(Nc1[n]3cccc1)ccc4)N2)([OH2])[OH2]
Title of publication	A noble metal-free photocatalytic system based on a novel cobalt tetrapyridyl catalyst for hydrogen production in fully aqueous medium
Authors of publication	Queyriaux, N.; Giannoudis, E.; Windle, C. D.; Roy, S.; Pécaut, J.; Coutsolelos, A. G.; Artero, V.; Chavarot-Kerlidou, M.
Journal of publication	Sustainable Energy & Fuels
Year of publication	2018
Journal volume	2
Journal issue	3
Pages of publication	553
a	11.3282 ± 0.0002 Å
b	14.2177 ± 0.0003 Å
c	14.6725 ± 0.0003 Å
α	90°
β	98.096 ± 0.002°
γ	90°
Cell volume	2339.61 ± 0.08 Å³
Cell temperature	149.95 ± 0.1 K
Ambient diffraction temperature	149.95 ± 0.1 K
Number of distinct elements	7
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	0.0547
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553989.cif
236268	2019-11-24	cif/ Adding structures of 1553989 via cif-deposit CGI script.	1553989.cif