Crystallography Open Database

Information card for entry 7001917

7001916 << 7001917 >> 7001918

Preview

Coordinates	7001917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Au Cl3 F3 N2 O5 P S
Calculated formula	C33 H24 Au Cl3 F3 N2 O5 P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(N2C(=O)c3ccccc3C2=O)ccc1.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)(Cl)Cl
Title of publication	The coordination chemistry of fluorescent pyridinyl‒ and quinolinyl‒phthalimide ligands with the {AuI‒PPh3} cationic unit
Authors of publication	Mullice, Lucy A.; Thorp-Greenwood, Flora L.; Laye, Rebecca H.; Coogan, Michael P.; Kariuki, Benson M.; Pope, Simon J.A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	34
Pages of publication	6836 - 6842
a	17.6586 ± 0.001 Å
b	11.2141 ± 0.0006 Å
c	17.6983 ± 0.001 Å
α	90°
β	97.781 ± 0.003°
γ	90°
Cell volume	3472.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0328
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179717 (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 7/00/19.	7001917.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001917.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001917.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001917.cif