Crystallography Open Database

Information card for entry 7007729

Preview

Coordinates	7007729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Cl3 In N2 O
Calculated formula	C34 H36 Cl3 In N2 O
SMILES	C12C(c3cccc4cccc1c34)=[N](c1c(cc(cc1C)C)C)[In]([N]=2c1c(cc(cc1C)C)C)(Cl)(Cl)(Cl)[O]1CCCC1
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	14.631 ± 0.005 Å
b	15.589 ± 0.005 Å
c	20.413 ± 0.005 Å
α	90°
β	93.09 ± 0.005°
γ	90°
Cell volume	4649 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0718
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7007729.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007729.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007729.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007729.cif