Crystallography Open Database

Information card for entry 7026058

Preview

Coordinates	7026058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Au Cl N5 O6
Calculated formula	C8 H11 Au Cl N5 O6
SMILES	[Au]12(Cl)[NH2]CC(=O)N1[C@@H](Cc1c[nH]c[n]21)C(=O)O.N(=O)(=O)[O-]
Title of publication	Monocationic gold(III) Gly-L-His and L-Ala-L-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anions.
Authors of publication	Rychlewska, Urszula; Warzajtis, Beata; Glisić, Biljana D; Zivković, Marija D; Rajković, Snezana; Djuran, Milos I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	8906 - 8913
a	16.9519 ± 0.0019 Å
b	6.6137 ± 0.0007 Å
c	12.0312 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1348.9 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026058.cif
93394	2014-01-13	cif/ Adding structures of 7026057, 7026058, 7026059 via cif-deposit CGI script.	7026058.cif