Crystallography Open Database

Information card for entry 7005099

Preview

Coordinates	7005099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 In2 N4
Calculated formula	C42 H50 In2 N4
SMILES	C1(=[N](c2c(cccc2C)C)[In](N(C(=C1)C)c1c(cccc1C)C)[In]1N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)C
Title of publication	Solid- and solution-state structures of indium 'alkene analogues'.
Authors of publication	Hill, Michael S.; Hitchcock, Peter B.; Pongtavornpinyo, Ruti
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	7
Pages of publication	731 - 733
a	8.6989 ± 0.0005 Å
b	10.0246 ± 0.0006 Å
c	12.3181 ± 0.0007 Å
α	67.338 ± 0.003°
β	82.783 ± 0.003°
γ	83.862 ± 0.003°
Cell volume	981.38 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
179754 (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 7/00/50.	7005099.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005099.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005099.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005099.cif