Crystallography Open Database

Information card for entry 7717074

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Coordinates	7717074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl Cu N4 O6
Calculated formula	C12 H10 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	8.5947 ± 0.0007 Å
b	8.5947 ± 0.0007 Å
c	17.7141 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1133.21 ± 0.16 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0464
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

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