Information card for entry 4076417

Structure parameters

• Formula: C35 H51 N4 Nb
• Calculated formula: C35 H51 N4 Nb
• SMILES: [Nb]1(=NC(C)(C)C)([N](=C(N1c1ccc(cc1)C(C)(C)C)NC(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions
• Authors of publication: Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1840
• a: 12.8813 ± 0.001 Å
• b: 16.6456 ± 0.0013 Å
• c: 32.319 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6929.7 ± 0.9 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No