Crystallography Open Database

Information card for entry 7134190

Preview

Coordinates	7134190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cr F3 N2 O6 S
Calculated formula	C19 H24 Cr F9 N2 O13 S3
Title of publication	Identification of the Cr(V)O intermediate in electrocatalytic water oxidation by a chromium(III)-aqua complex.
Authors of publication	Shen, Zhi-Kai; Li, Zi-Jian; Zou, Zhigang; Yu, Zhen-Tao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	16
Pages of publication	3387 - 3390
a	9.0515 ± 0.0005 Å
b	11.5963 ± 0.0007 Å
c	15.9542 ± 0.0009 Å
α	70.366 ± 0.002°
β	89.852 ± 0.002°
γ	81.103 ± 0.002°
Cell volume	1556.08 ± 0.16 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
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
298032 (current)	2025-03-04	cif/ Updating files of 7134190 Original log message: Adding full bibliography for 7134190.cif.	7134190.cif
297421	2025-01-23	cif/ Adding structures of 7134190 via cif-deposit CGI script.	7134190.cif