Crystallography Open Database

Information card for entry 7704288

Preview

Coordinates	7704288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl2 Co N5 O4
Calculated formula	C23 H20 Cl2 Co N5 O
SMILES	[Co]1234(N(c5cccc6ccc[n]1c56)C(=O)C[N]4(Cc1[n]2cccc1)Cc1[n]3cccc1)Cl.[Cl-]
Title of publication	Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.
Authors of publication	Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7155 - 7165
a	8.7167 ± 0.0006 Å
b	13.2069 ± 0.0008 Å
c	13.7214 ± 0.0012 Å
α	112.93 ± 0.007°
β	92.528 ± 0.007°
γ	108.905 ± 0.006°
Cell volume	1349.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
252836 (current)	2020-06-05	cif/ Updating files of 7704287, 7704288 Original log message: Adding full bibliography for 7704287--7704288.cif.	7704288.cif
251518	2020-05-05	cif/ Adding structures of 7704287, 7704288 via cif-deposit CGI script.	7704288.cif