Crystallography Open Database

Information card for entry 7063717

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Coordinates	7063717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 Cl4 Cu4 N8 O22
Calculated formula	C56 H64 Cl4 Cu4 N8 O22
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	10.1663 ± 0.0005 Å
b	11.4731 ± 0.0005 Å
c	14.2943 ± 0.0006 Å
α	88.941 ± 0.002°
β	80.613 ± 0.002°
γ	72.078 ± 0.002°
Cell volume	1564.23 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0513
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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