Crystallography Open Database

Information card for entry 7044567

Preview

Coordinates	7044567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Cu N2 O7
Calculated formula	C15 H18 Cu N2 O7
SMILES	[Cu]12(OC(=O)O1)[n]1c3c(ccc1c1[n]2cccc1)cccc3.O.O.O.O
Title of publication	Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands
Authors of publication	Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.0993 ± 0.0006 Å
b	10.3092 ± 0.0006 Å
c	11.0759 ± 0.0008 Å
α	96.292 ± 0.005°
β	107.07 ± 0.007°
γ	108.306 ± 0.006°
Cell volume	818.32 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7044567.html