Crystallography Open Database

Information card for entry 7003793

Preview

Coordinates	7003793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H67 N8 Nb
Calculated formula	C30 H67 N8 Nb
SMILES	[Nb]12(N(CC)CC)(=NC(C)(C)C)([N](=C(N1C(C)C)N(CC)CC)C(C)C)N(C(N(CC)CC)=[N]2C(C)C)C(C)C
Title of publication	Mixed amido/imido/guanidinato complexes of niobium: potential precursors for MOCVD of niobium nitride thin films
Authors of publication	Baunemann, Arne; Bekermann, Daniela; Thiede, Tobias B.; Parala, Harish; Winter, Manuela; Gemel, Christian; Fischer, Roland A.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	28
Pages of publication	3715 - 3722
a	11.4815 ± 0.0009 Å
b	18.2528 ± 0.0018 Å
c	34.814 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7296 ± 1.1 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 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	0.1845
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
179741 (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 7/00/37.	7003793.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003793.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003793.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.	7003793.cif