Crystallography Open Database

Information card for entry 7011095

Preview

Coordinates	7011095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.22 H19.93 Au I0.07 P
Calculated formula	C25.2202 H19.93 Au I0.06995 P
Title of publication	Some molecular rods: gold(I) complexes of 1,3-diynes. Crystal structures of Au(CCCCH)(PPh3) and {Cu3(μ-dppm)3}(μ3-I)(μ3-CCCCAuCCCCH)
Authors of publication	Michael I. Bruce; Ben C. Hall; Brian W. Skelton; Mark E. Smith; Allan H. White
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	6
Pages of publication	995 - 1001
a	9.9695 ± 0.0005 Å
b	27.819 ± 0.001 Å
c	15.486 ± 0.0007 Å
α	90°
β	90.242 ± 0.001°
γ	90°
Cell volume	4294.9 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections	1.184
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7011095.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011095.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011095.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011095.cif