Crystallography Open Database

Information card for entry 7009666

Preview

Coordinates	7009666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H30 Cu I N6
Calculated formula	C13 H30 Cu I N6
SMILES	I[Cu]1[N](CCC[N]1=C(N(C)C)N(C)C)=C(N(C)C)N(C)C
Title of publication	1,3-Bis(N,N,N',N'-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand †
Authors of publication	Pohl, Siegfried; Harmjanz, Michael; Schneider, Jörg; Saak, Wolfgang; Henkel, Gerald
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	19
Pages of publication	3473
a	7.839 ± 0.002 Å
b	9.864 ± 0.004 Å
c	25.026 ± 0.008 Å
α	90°
β	96.72 ± 0.02°
γ	90°
Cell volume	1921.8 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179800 (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 7/00/96.	7009666.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009666.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009666.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009666.cif