Information card for entry 4066816

Structure parameters

• Formula: C175 H228 N9 Nb3 O15
• Calculated formula: C175 H228 N9 Nb3 O15
• SMILES: [Nb]12(OC)(=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.CCCCC
• 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: 12.8639 ± 0.0018 Å
• b: 23.269 ± 0.003 Å
• c: 27.346 ± 0.004 Å
• α: 105.298 ± 0.003°
• β: 91.241 ± 0.003°
• γ: 100.978 ± 0.003°
• Cell volume: 7728.6 ± 1.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No