Crystallography Open Database

Information card for entry 1572237

Preview

Coordinates	1572237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H36 Co F10 N4 O2 P
Calculated formula	C65 H36 Co F10 N4 O2 P
SMILES	[Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)n4c5c6n3c(C(=c3[n]2c(C(c2c7Oc8c(cccc8C(c7ccc2)(C)C)C=O)=c2n1c(=C(c4cc5)c1c(F)c(F)c(F)c(F)c1F)cc2)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6
Title of publication	Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction
Authors of publication	Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	19
Pages of publication	5608 - 5615
a	8.8638 ± 0.0003 Å
b	27.6166 ± 0.001 Å
c	22.2046 ± 0.0008 Å
α	90°
β	93.367 ± 0.001°
γ	90°
Cell volume	5426 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295084 (current)	2024-10-06	cif/ Updating files of 1572236, 1572237 Original log message: Adding full bibliography for 1572236--1572237.cif.	1572237.cif
293641	2024-08-03	cif/ Adding structures of 1572236, 1572237 via cif-deposit CGI script.	1572237.cif