Crystallography Open Database

Information card for entry 7001515

Preview

Coordinates	7001515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cu N4 O10
Calculated formula	C17 H16 Cu N4 O10
SMILES	c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14(OC(=O)[C@H](CCC(=O)O)[NH2]1)[OH2].O.O.N(=O)(=O)[O-]
Title of publication	Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures
Authors of publication	Biswas, Chaitali; Drew, Michael G. B.; Estrader, Marta; Ghosh, Ashutosh
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	5015 - 5022
a	7.065 ± 0.0015 Å
b	11.775 ± 0.003 Å
c	12.662 ± 0.004 Å
α	75.809 ± 0.002°
β	87.723 ± 0.002°
γ	75.301 ± 0.002°
Cell volume	987.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2157
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179713 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/15.	7001515.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001515.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001515.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001515.cif