Crystallography Open Database

Information card for entry 7009668

Preview

Coordinates	7009668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H30 Fe I2 N6
Calculated formula	C13 H30 Fe I2 N6
SMILES	I[Fe]1(I)[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	9.466 ± 0.002 Å
b	10.473 ± 0.003 Å
c	12.86 ± 0.003 Å
α	69.3 ± 0.02°
β	87.65 ± 0.02°
γ	63.96 ± 0.02°
Cell volume	1061.6 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0283
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.233
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.	7009668.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009668.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009668.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009668.cif