Crystallography Open Database

Information card for entry 1571255

Preview

Coordinates	1571255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br N3 O2
Calculated formula	C20 H18 Br N3 O2
Title of publication	Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy
Authors of publication	Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	9
Pages of publication	2489 - 2502
a	13.4985 ± 0.0008 Å
b	16.3402 ± 0.0011 Å
c	8.5914 ± 0.0004 Å
α	90°
β	99.883 ± 0.005°
γ	90°
Cell volume	1866.87 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
292758 (current)	2024-07-05	cif/ Updating files of 1571255, 1571256 Original log message: Adding full bibliography for 1571255--1571256.cif.	1571255.cif
290514	2024-03-19	cif/ Adding structures of 1571255, 1571256 via cif-deposit CGI script.	1571255.cif