Crystallography Open Database

Information card for entry 2108988

Preview

Coordinates	2108988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Cu N4 O9
Calculated formula	C22 H32 Cu N4 O9
SMILES	[Cu]12(OC(=O)[C@@H]([NH]1Cc1ccc3OCOc3c1)C)(OC(=O)[C@@H]([NH]2Cc1cc2OCOc2cc1)C)([NH3])[NH3].O
Title of publication	Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes
Authors of publication	Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia
Journal of publication	Acta Crystallographica Section B
Year of publication	2022
Journal volume	78
Journal issue	3 Part 2
a	13.9687 ± 0.0007 Å
b	6.8845 ± 0.0003 Å
c	14.3443 ± 0.0007 Å
α	90°
β	109.401 ± 0.005°
γ	90°
Cell volume	1301.13 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2122
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
275739 (current)	2022-06-02	cif/ hkl/ Adding structures of 2108984, 2108985, 2108986, 2108987, 2108988 via cif-deposit CGI script.	2108988.cif