Crystallography Open Database

Information card for entry 4065890

Preview

Coordinates	4065890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Cl N3 Nb
Calculated formula	C40 H57 Cl N3 Nb
SMILES	[Nb]1(Cl)(=NC(C)(C)C)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1ccc(cc1)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	13.757 ± 0.002 Å
b	16.524 ± 0.003 Å
c	17.039 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3873.3 ± 1.1 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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.	4065890.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065890.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065890.cif
33719	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065888, 4065889, 4065890, 4065891, 4065892 via cif-deposit CGI script.	4065890.cif