Crystallography Open Database

Information card for entry 7063716

Preview

Coordinates	7063716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cl2 Cu2 N8 O18
Calculated formula	C34 H50 Cl2 Cu2 N8 O18
Title of publication	Electrocatalytic water oxidation activity of phenolate-bridged dinuclear copper(ii) complexes in alkaline phosphate buffer
Authors of publication	Basak, Swati; Das, Pranjal; Kuilya, Hemrupa; Choudhury, Diganta; Kalita, Apurba
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	17
Pages of publication	7134 - 7139
a	9.71 ± 0.005 Å
b	10.172 ± 0.005 Å
c	11.173 ± 0.005 Å
α	89.007 ± 0.012°
β	82.504 ± 0.013°
γ	76.151 ± 0.014°
Cell volume	1062.2 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.1318
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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