Crystallography Open Database

Information card for entry 7007728

Preview

Coordinates	7007728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 F6 N4 P Tl
Calculated formula	C60 H56 F6 N4 P Tl
SMILES	[P](F)(F)(F)(F)(F)[F-].[Tl]12([N](c3c(cc(cc3C)C)C)=C3C(=[N]2c2c(cc(cc2C)C)C)c2cccc4cccc3c24)[N](c2c(cc(cc2C)C)C)=C2C(=[N]1c1c(cc(cc1C)C)C)c1cccc3cccc2c13
Title of publication	Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.
Authors of publication	Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	40
Pages of publication	4838 - 4844
a	26.501 ± 0.005 Å
b	26.501 ± 0.005 Å
c	14.814 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	10404 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71069 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.	7007728.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007728.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007728.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007728.cif