Information card for entry 7713769

Structure parameters

• Formula: C10 H20 B2 Cl4 O4 Zr
• Calculated formula: C10 H20 B2 Cl4 O4 Zr
• 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: 13.27 ± 0.002 Å
• b: 15.036 ± 0.002 Å
• c: 18.597 ± 0.003 Å
• α: 90°
• β: 94.265 ± 0.004°
• γ: 90°
• Cell volume: 3700.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No