Crystallography Open Database

Information card for entry 7007725

Preview

Coordinates	7007725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Bi2 Cl6 N4
Calculated formula	C60 H56 Bi2 Cl6 N4
SMILES	C1(C(=[N]2c3c(cc(cc3C)C)C)c3cccc4c3c1ccc4)=[N](c1c(cc(cc1C)C)C)[Bi]2(Cl)(Cl)Cl
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	12.035 ± 0.002 Å
b	12.512 ± 0.003 Å
c	12.98 ± 0.003 Å
α	111.6 ± 0.03°
β	93.99 ± 0.03°
γ	111.21 ± 0.03°
Cell volume	1647.2 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7007725.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007725.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007725.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007725.cif