Crystallography Open Database

Information card for entry 7004881

Preview

Coordinates	7004881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl Cu N5 O8
Calculated formula	C21 H19 Cl Cu N5 O8
SMILES	[Cu]12(OC(=O)[C@@H]([NH2]2)Cc2c[nH]c3c2cccc3)[n]2ccccc2Nc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].O.O
Title of publication	Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.
Authors of publication	Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	3
Pages of publication	299 - 307
a	6.7769 ± 0.001 Å
b	10.969 ± 0.0001 Å
c	31.09 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2311.1 ± 0.3 Å³
Cell temperature	273.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7004881.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004881.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004881.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004881.cif