Crystallography Open Database

Information card for entry 7004392

Preview

Coordinates	7004392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Al2 N6
Calculated formula	C14 H28 Al2 N6
Title of publication	A structural, theoretical and coordinative evaluation of the bicyclic guanidinate derived from 1,4,6-triazabicyclo[3.3.0]oct-4-ene
Authors of publication	Khalaf, Majid S.; Coles, Martyn P.; Hitchcock, Peter B.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	32
Pages of publication	4288 - 4295
a	8.5214 ± 0.0002 Å
b	10.1796 ± 0.0003 Å
c	12.2236 ± 0.0002 Å
α	99.825 ± 0.002°
β	103.853 ± 0.002°
γ	114.523 ± 0.001°
Cell volume	891.79 ± 0.04 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	0.0387
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179747 (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 7/00/43.	7004392.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004392.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004392.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004392.cif