Crystallography Open Database

Information card for entry 7063711

Preview

Coordinates	7063711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H52.12 Cl2 Co N6 O9.56
Calculated formula	C46 H43.122 Cl2 Co N6 O6.561
Title of publication	Electrocatalytic water oxidation by molecular cobalt-terpyridine complexes in alkaline medium: experimental and theoretical study
Authors of publication	Khan, Md. Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	17
Pages of publication	6963 - 6974
a	10.5223 ± 0.0008 Å
b	10.927 ± 0.001 Å
c	19.7925 ± 0.0012 Å
α	84.75 ± 0.006°
β	89.913 ± 0.006°
γ	83.45 ± 0.007°
Cell volume	2251.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0844
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063711.html