Crystallography Open Database

Information card for entry 4066817

Preview

Coordinates	4066817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H76 N3 Nb O6
Calculated formula	C58 H76 N3 Nb O6
SMILES	[Nb]12(O)(=Nc3c(cccc3C(C)C)C(C)C)([N](=C(c3c1c1OCOc1cc3)C)c1c(cccc1C(C)C)C(C)C)[N](=C(c1c2c2OCOc2cc1)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
Title of publication	Derivatization of Niobium Complexes Bearing Imido and Acetophenone Imine Ligands
Authors of publication	Neshat, Abdollah; Schmidt, Joseph A. R.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6219
a	13.0131 ± 0.0014 Å
b	16.1081 ± 0.0017 Å
c	25.1 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5261.4 ± 1 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.1384
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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