Crystallography Open Database

Information card for entry 7134637

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Coordinates	7134637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H51 Cl6 Cu2 N6 O22
Calculated formula	C52 H51 Cl6 Cu2 N6 O22
Title of publication	Comparing electrocatalytic and chemical oxygen reduction reaction by a molecular copper complex
Authors of publication	Dutta, Lesa; Das, Avijit; Hasan, Babar; Paria, Sayantan; Mondal, Dhrubajyoti
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	55
Pages of publication	10158 - 10161
a	12.8921 ± 0.0013 Å
b	16.3316 ± 0.0017 Å
c	29.441 ± 0.003 Å
α	90°
β	96.406 ± 0.002°
γ	90°
Cell volume	6160.1 ± 1.1 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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