Crystallography Open Database

Information card for entry 7004393

Preview

Coordinates	7004393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 N12 Zn3
Calculated formula	C36 H54 N12 Zn3
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	20.5807 ± 0.0008 Å
b	20.5807 ± 0.0008 Å
c	20.3647 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8625.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7004393.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004393.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004393.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.	7004393.cif