Crystallography Open Database

Information card for entry 7026057

Preview

Coordinates	7026057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13.5 Au Cl N5 O7.25
Calculated formula	C8 H13.5 Au Cl N5 O7.25
SMILES	[Au]12(Cl)[NH2]CC(=O)N1[C@@H](Cc1[n]2c[nH]c1)C(=O)O.N(=O)(=O)[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	24.5647 ± 0.0009 Å
b	6.7463 ± 0.0002 Å
c	17.7095 ± 0.0005 Å
α	90°
β	91.215 ± 0.003°
γ	90°
Cell volume	2934.17 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	0.773
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
188927 (current)	2016-12-06	cod/ (antanas@kurmis) Marking attached hydrogen atoms.	7026057.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026057.cif
93394	2014-01-13	cif/ Adding structures of 7026057, 7026058, 7026059 via cif-deposit CGI script.	7026057.cif