Crystallography Open Database

Information card for entry 7002943

Preview

Coordinates	7002943.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-Ethoxy-benzimidazolium oxonium dichloride tetrachloroaurate(iii) pentahydrate
Chemical name	5-Ethoxy-benzimidazolium oxonium dichloride tetrachloroaurate(III) pentahydrate
Formula	C36 H53 Au Cl8 N8 O10
Calculated formula	C36 H44 Au Cl8 N8 O10
Title of publication	Synthesis, structural characterization and in vitro cytotoxicity of new Au(III) and Au(I) complexes with thioamides
Authors of publication	Kouroulis, K. N.; Hadjikakou, S. K.; Kourkoumelis, N.; Kubicki, M.; Male, L.; Hursthouse, M.; Skoulika, S.; Metsios, A. K.; Tyurin, V. Y.; Dolganov, A. V.; Milaeva, E. R.; Hadjiliadis, N.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	47
Pages of publication	10446 - 10456
a	22.0808 ± 0.0005 Å
b	25.1431 ± 0.0007 Å
c	4.8774 ± 0.0001 Å
α	90°
β	92.5 ± 0.002°
γ	90°
Cell volume	2705.26 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209624 (current)	2018-08-12	cif/7/ Updating bibliography in entries 7002942-7002948, 7030658-7030664. Marking entries 7030658-7030664 as duplicates of entries 7002942-7002948.	7002943.cif
179733	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 7/00/29.	7002943.cif
120435	2014-07-15	cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra.	7002943.cif
120433	2014-07-15	cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names.	7002943.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002943.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7002943.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002943.cif