Crystallography Open Database

Information card for entry 7124823

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Coordinates	7124823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H36 Cu N6 O8
Calculated formula	C14 H36 Cu N6 O8
Title of publication	Electrocatalytic water oxidation by a macrocyclic Cu(ii) complex in neutral phosphate buffer.
Authors of publication	Yu, Fengshou; Li, Fei; Hu, Jixiang; Bai, Lichen; Zhu, Yong; Sun, Licheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	68
Pages of publication	10377 - 10380
a	9.4885 ± 0.0003 Å
b	10.1789 ± 0.0003 Å
c	11.6397 ± 0.0004 Å
α	85.237 ± 0.002°
β	74.922 ± 0.001°
γ	77.744 ± 0.001°
Cell volume	1060.29 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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