Crystallography Open Database

Information card for entry 1572236

Preview

Coordinates	1572236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Fe N
Calculated formula	C22 H25 Fe N
SMILES	[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@@H](N[C@@H](C)c1ccccc1)[c]15[cH]6[cH]7[cH]8[cH]91
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	10.888 ± 0.001 Å
b	7.319 ± 0.001 Å
c	11.07 ± 0.001 Å
α	90°
β	91.77 ± 0.01°
γ	90°
Cell volume	881.74 ± 0.17 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	1572236.cif
293641	2024-08-03	cif/ Adding structures of 1572236, 1572237 via cif-deposit CGI script.	1572236.cif