Crystallography Open Database

Information card for entry 1570056

Preview

Coordinates	1570056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 Cl2 N5 O4 Ru
Calculated formula	C26 H19 Cl2 N5 O4 Ru
Title of publication	Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.
Authors of publication	Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	11768 - 11774
a	10.8691 ± 0.0003 Å
b	11.2102 ± 0.0003 Å
c	11.8287 ± 0.0003 Å
α	71.074 ± 0.001°
β	84.694 ± 0.001°
γ	73.669 ± 0.001°
Cell volume	1308.34 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
287305 (current)	2023-11-06	cif/ Updating files of 1570056, 1570057 Original log message: Adding full bibliography for 1570056--1570057.cif.	1570056.cif
286828	2023-10-07	cif/ Adding structures of 1570056, 1570057 via cif-deposit CGI script.	1570056.cif