Crystallography Open Database

Information card for entry 7717073

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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 conduits 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
Year of publication	2024
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

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