Crystallography Open Database

Information card for entry 7006092

Preview

Coordinates	7006092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Au N O5 P W
Calculated formula	C28 H21 Au N O5 P W
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C(C#C[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C)C
Title of publication	Reaction and subsequent transformation of anionic acetylide-carbene complexes using the Ph3PAu+ fragment.
Authors of publication	Stander, Elzet; Esterhuysen, Catharine; McKenzie, Jean M.; Cronje, Stephanie; Raubenheimer, Helgard G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	48
Pages of publication	5684 - 5691
a	9.2552 ± 0.0005 Å
b	24.2452 ± 0.0014 Å
c	12.4647 ± 0.0007 Å
α	90°
β	103.429 ± 0.001°
γ	90°
Cell volume	2720.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179764 (current)	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 7/00/60.	7006092.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006092.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006092.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.	7006092.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006092.cif