Crystallography Open Database

Information card for entry 7014037

Preview

Coordinates	7014037.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)dien
Formula	C24 H43 Ba N3
Calculated formula	C24 H43 Ba N3
Title of publication	Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.
Authors of publication	Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	8
Pages of publication	1181 - 1188
a	21.346 ± 0.008 Å
b	20.514 ± 0.017 Å
c	15.413 ± 0.01 Å
α	90°
β	130.5 ± 0.04°
γ	90°
Cell volume	5132 ± 6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179844 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/40.	7014037.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7014037.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014037.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7014037.cif