Crystallography Open Database

Information card for entry 1548133

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Structure parameters

Common name	[Co(trenpy3)](ClO4)2
Formula	C24 H27 Cl2 Co N7 O8
Calculated formula	C24 H27 Cl2 Co N7 O8
SMILES	[Co]12345[n]6ccccc6C=[N]1CCN(CC[N]3=Cc1[n]2cccc1)CC[N]5=Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex
Authors of publication	Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	1
Pages of publication	307
a	27.9963 ± 0.0007 Å
b	10.5409 ± 0.0003 Å
c	19.1609 ± 0.0005 Å
α	90°
β	100.453 ± 0.002°
γ	90°
Cell volume	5560.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1548133.cif
227958	2019-11-17	cif/ Updating files of 1548133 Original log message: Adding full bibliography for 1548133.cif.	1548133.cif
203398	2017-11-21	cif/ Adding structures of 1548133 via cif-deposit CGI script.	1548133.cif