Crystallography Open Database

Information card for entry 7703081

Preview

Coordinates	7703081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Co2.36 Fe0.19 N6 Ni0.45 O6
Calculated formula	C14 H6 Co2.3601 Fe0.1899 N6 Ni0.45 O6
Title of publication	Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.
Authors of publication	Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	750 - 756
a	17.7685 ± 0.0009 Å
b	12.7627 ± 0.0009 Å
c	11.209 ± 0.0005 Å
α	90°
β	95.114 ± 0.004°
γ	90°
Cell volume	2531.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.085
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247755 (current)	2020-02-04	cif/ Updating files of 7703080, 7703081, 7703082 Original log message: Adding full bibliography for 7703080--7703082.cif.	7703081.cif
246372	2020-01-01	cif/ Adding structures of 7703080, 7703081, 7703082 via cif-deposit CGI script.	7703081.cif