Crystallography Open Database

Information card for entry 4065891

Preview

Coordinates	4065891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H64 N5 Nb
Calculated formula	C42 H64 N5 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]1ccccc1
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	19.6487 ± 0.0012 Å
b	18.8868 ± 0.0012 Å
c	22.3644 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8299.5 ± 0.9 Å³
Cell temperature	457 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0521
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.382
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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