Information card for entry 4070839

Structure parameters

• Formula: C25 H30 N Nb
• Calculated formula: C25 H30 N Nb
• SMILES: C(C)(N=[Nb](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)(C)C
• Title of publication: Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies
• Authors of publication: Arteaga-Müller, Rocío; Sánchez-Nieves, Javier; Ramos, Javier; Royo, Pascual; Mosquera, Marta E. G.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1417
• a: 11.2683 ± 0.0013 Å
• b: 11.2683 ± 0.0014 Å
• c: 10.2514 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1127.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No