Information card for entry 4066815

Structure parameters

• Formula: C62 H70 N3 Nb O4
• Calculated formula: C62 H70 N3 Nb O4
• SMILES: [Nb]12(=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)C#Cc1ccccc1
• 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: 14.016 ± 0.002 Å
• b: 19.085 ± 0.003 Å
• c: 20.381 ± 0.003 Å
• α: 90°
• β: 72.259 ± 0.003°
• γ: 90°
• Cell volume: 5192.6 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1704
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No