Crystallography Open Database

Information card for entry 4066021

Preview

Coordinates	4066021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 N4 Nb
Calculated formula	C38 H55 N4 Nb
SMILES	[Nb]1(=NC(C)(C)C)(=Nc2c(cccc2C(C)C)C(C)C)([N](c2c(cccc2C(C)C)C(C)C)=C(C=C1C)C)[n]1ccccc1
Title of publication	Synthesis, Characterization, and Reactions of Isolable (β-Diketiminato)Nb(III) Imido Complexes.
Authors of publication	Tomson, Neil C.; Arnold, John; Bergman, Robert G.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5010 - 5025
a	10.847 ± 0.017 Å
b	17.61 ± 0.04 Å
c	21.45 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	4097 ± 14 Å³
Cell temperature	107 ± 2 K
Ambient diffraction temperature	107 ± 2 K
Number of distinct elements	4
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	0.0771
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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