Information card for entry 7713767

Structure parameters

• Formula: C10 H20 B2 Cl4 Nb O4
• Calculated formula: C10 H20 B2 Cl4 Nb O4
• SMILES: [Nb]1(Cl)(Cl)(Cl)(Cl)[O]2CC(COB2B2[O]1CC(CO2)(C)C)(C)C
• Title of publication: Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes
• Authors of publication: Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.394 ± 0.006 Å
• b: 6.4687 ± 0.0019 Å
• c: 19.388 ± 0.007 Å
• α: 90°
• β: 111.043 ± 0.007°
• γ: 90°
• Cell volume: 1801.9 ± 1.1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• 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: 0.1442
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No