Crystallography Open Database

Information card for entry 7714573

Preview

Coordinates	7714573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 B2 Cu F8 N5 O0
Calculated formula	C21 H25 B2 Cu F8 N5
Title of publication	Impact of the hybridization form of the coordinated nitrogen atom on the electrocatalytic water oxidation performance of copper complexes with pentadentate amine-pyridine ligands.
Authors of publication	Yu, Kaishan; Wang, Tao; Sun, Yue; Kang, Mei; Wang, Xinxin; Zhu, Dingwei; Xue, Siyi; Shen, Junyu; Zhang, Qijian; Liu, Jinxuan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	612 - 618
a	14.002 ± 0.004 Å
b	11.085 ± 0.003 Å
c	15.701 ± 0.004 Å
α	90°
β	94.935 ± 0.005°
γ	90°
Cell volume	2428 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289527 (current)	2024-02-04	cif/ Updating files of 7714573, 7714574 Original log message: Adding full bibliography for 7714573--7714574.cif.	7714573.cif
287866	2023-11-30	cif/ Adding structures of 7714573, 7714574 via cif-deposit CGI script.	7714573.cif