Crystallography Open Database

Information card for entry 7717073

Preview

Coordinates	7717073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Cl Cu N4 O6
Calculated formula	C15 H17 Cl Cu N4 O6
Title of publication	Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation.
Authors of publication	Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	43
Pages of publication	17547 - 17553
a	6.9279 ± 0.0006 Å
b	12.589 ± 0.0011 Å
c	20.273 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1768.1 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
296520 (current)	2024-12-06	cif/ Updating files of 7717073, 7717074 Original log message: Adding full bibliography for 7717073--7717074.cif.	7717073.cif
294858	2024-09-24	cif/ Adding structures of 7717073, 7717074 via cif-deposit CGI script.	7717073.cif