Crystallography Open Database

Information card for entry 7006446

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Coordinates	7006446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Cl Cu N3
Calculated formula	C33 H33 Cl Cu N3
SMILES	[Cu]12(Cl)[N](C3CC([N]1=CC=Cc1ccccc1)CC([N]2=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1
Title of publication	Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.
Authors of publication	Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	14
Pages of publication	1790 - 1795
a	21.873 ± 0.007 Å
b	22.84 ± 0.004 Å
c	12.268 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6129 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.3245
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
179768 (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 7/00/64.	7006446.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006446.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006446.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006446.cif