Crystallography Open Database

Information card for entry 7008542

Preview

Coordinates	7008542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H55 N8 Ta
Calculated formula	C24 H55 N8 Ta
SMILES	[Ta]12([N](=C(N1C(C)C)N(C)C)C(C)C)([N](=C(N2C(C)C)N(C)C)C(C)C)(N(C)C)=NC(C)(C)C
Title of publication	Tantalum complexes with all nitrogen coordination sphere: mixed amido-, imido-, guanidinato complexes of tantalum and their thermal behaviour.
Authors of publication	Baunemann, Arne; Rische, Daniel; Milanov, Andrian; Kim, Younsoo; Winter, Manuela; Gemel, Christian; Fischer, Roland A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	18
Pages of publication	3051 - 3055
a	9.5129 ± 0.0011 Å
b	18.099 ± 0.002 Å
c	34.801 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5991.8 ± 1.2 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
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	0.0686
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
179789 (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 7/00/85.	7008542.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008542.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008542.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008542.cif