Crystallography Open Database

Information card for entry 4065889

Preview

Coordinates	4065889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 Cl2 N3 Nb
Calculated formula	C41 H58 Cl2 N3 Nb
SMILES	[Nb]1(Cl)(Cl)(=Nc2c(cccc2C(C)C)C(C)C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C
Title of publication	Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.
Authors of publication	Tomson, Neil C.; Arnold, John; Bergman, Robert G.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	13
Pages of publication	2926 - 2942
a	17.84 ± 0.005 Å
b	21.065 ± 0.006 Å
c	21.778 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	8184 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
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	0.056
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178551 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/58.	4065889.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065889.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065889.cif
33719	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065888, 4065889, 4065890, 4065891, 4065892 via cif-deposit CGI script.	4065889.cif