Crystallography Open Database

Information card for entry 7246013

Preview

Coordinates	7246013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cu N2 O8
Calculated formula	C17 H16 Cu N2 O8
SMILES	[Cu]12(OC(=O)C(=O)O2)OC(=O)C(=O)O1.[nH+]1ccc(cc1)CCCc1cc[nH+]cc1
Title of publication	Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions
Authors of publication	Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	10
Pages of publication	1479 - 1485
a	10.5484 ± 0.0002 Å
b	22.2344 ± 0.0006 Å
c	7.2264 ± 0.00018 Å
α	90°
β	102.125 ± 0.002°
γ	90°
Cell volume	1657.05 ± 0.07 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0287
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
282314 (current)	2023-04-04	cif/ Updating files of 7246009, 7246010, 7246011, 7246012, 7246013 Original log message: Adding full bibliography for 7246009--7246013.cif.	7246013.cif
279924	2022-12-17	cif/ Adding structures of 7246009, 7246010, 7246011, 7246012, 7246013 via cif-deposit CGI script.	7246013.cif