Crystallography Open Database

Information card for entry 4065892

Preview

Coordinates	4065892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H69 N6 Nb
Calculated formula	C44 H69 N6 Nb
SMILES	[Nb]1(=NC(C)(C)C)(=NC(C)(C)C)([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)[n]1ccc(N(C)C)cc1
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	15.53 ± 0.003 Å
b	12.284 ± 0.002 Å
c	23.724 ± 0.004 Å
α	90°
β	107.887 ± 0.003°
γ	90°
Cell volume	4307.1 ± 1.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4065892.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065892.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065892.cif
33719	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065888, 4065889, 4065890, 4065891, 4065892 via cif-deposit CGI script.	4065892.cif