Crystallography Open Database

Information card for entry 7010070

Preview

Coordinates	7010070.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au(CH3OCNHCH3)2][C7Cl2NO3].CHCl3
Formula	C14 H15 Au Cl5 N3 O5
Calculated formula	C14 H15 Au Cl5 N3 O5
SMILES	C(NC)(OC)=[Au]=C(NC)OC.C1(=C(C(=O)C(=O)C(=C1[O-])C#N)Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Aurophilic attractions: one cation, [Au{C(OMe)NMeH}2]+, but three different structural arrangements in the solid state salts
Authors of publication	Jiang, Feilong; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	22
Pages of publication	4098
a	10.5702 ± 0.0008 Å
b	6.6361 ± 0.0005 Å
c	14.9708 ± 0.0011 Å
α	90°
β	91.221 ± 0.003°
γ	90°
Cell volume	1049.89 ± 0.14 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179804 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/00.	7010070.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010070.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010070.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010070.cif