Crystallography Open Database

Information card for entry 7063604

Preview

Coordinates	7063604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Cl2 Cu N5 O8
Calculated formula	C8 H20 Cl2 Cu N5 O8
Title of publication	Impact of coordinated nitrogen atoms on the electrocatalytic water oxidation properties of copper complexes with pentadentate ligands
Authors of publication	Qi, Zhichao; Hu, Jinlin; Ruan, Zhijun; Chen, Yanmei; Qu, Yanbo; Liang, Xiangming; Lin, Junqi
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	4
Pages of publication	1451 - 1458
a	8.3439 ± 0.0014 Å
b	15.187 ± 0.003 Å
c	14.026 ± 0.003 Å
α	90°
β	98.286 ± 0.004°
γ	90°
Cell volume	1758.8 ± 0.6 Å³
Cell temperature	276 ± 2 K
Ambient diffraction temperature	276 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	0.1179
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299009 (current)	2025-04-05	cif/ Updating files of 7063604, 7063605 Original log message: Adding full bibliography for 7063604--7063605.cif.	7063604.cif
297056	2025-01-04	cif/ Adding structures of 7063604, 7063605 via cif-deposit CGI script.	7063604.cif