Information card for entry 4076420

Structure parameters

• Formula: C102 H140 N12 Nb2
• Calculated formula: C102 H140 N12 Nb2
• SMILES: [Nb]12(=NC(C)(C)C)(N(C(=[N]1c1ccc(cc1)N1[Nb]3(=NC(C)(C)C)([N](=C1NC(C)C)C(C)C)(N(c1c(cccc1C)C)/C=C/c1ccccc1)[N](=C3Cc1ccccc1)c1c(cccc1C)C)NC(C)C)C(C)C)(N(c1c(cccc1C)C)/C=C/c1ccccc1)[N](=C2Cc1ccccc1)c1c(cccc1C)C.CCCCC.CCCCC
• 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: 13.083 ± 0.007 Å
• b: 22.92 ± 0.012 Å
• c: 33.053 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9911 ± 9 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2854
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No