Crystallography Open Database

Information card for entry 7203196

7203195 << 7203196 >> 7203197

Preview

Coordinates	7203196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.6 H31.4 Au2 Cl2 N O3.6 P2
Calculated formula	C33 H29 Au2 Cl2 N O3 P2
SMILES	[Au](Cl)[P](CN(C[P]([Au]Cl)(c1ccccc1)c1ccccc1)c1c(O)ccc(c1)C(=O)O)(c1ccccc1)c1ccccc1
Title of publication	Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains
Authors of publication	Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	140
a	10.9153 ± 0.0004 Å
b	12.1624 ± 0.0004 Å
c	15.8034 ± 0.0006 Å
α	74.933 ± 0.002°
β	82.592 ± 0.002°
γ	73.966 ± 0.002°
Cell volume	1943.37 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203196.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203196.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203196.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203196.cif