Information card for entry 2010741

Structure parameters

• Common name: tetramethylethyliden- bis(cyclopentadienyl)zirconiumbis(tetrahydroborate)'
• Formula: C16 H28 B2 Zr
• Calculated formula: C16 H28 B2 Zr
• SMILES: [Zr]1([cH]23)([cH]24)([cH]32)([cH]23)([c]34C(C)(C)C(C)(C)[c]123)([cH]24)([cH]32)([cH]23)([cH]34)([H][BH2]1)([H]1)([H][BH2]1)[H]1
• Title of publication: [{Me~4~C~2~(C~5~H~4~)~2~}Zr(BH~4~)~2~], a bis(tetrahydroborate) complex of a bridged zirconocene
• Authors of publication: Schaper, Frank; Brintzinger, Hans-Herbert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e78 - e78
• a: 7.699 ± 0.002 Å
• b: 9.341 ± 0.002 Å
• c: 12.934 ± 0.003 Å
• α: 77.77 ± 0.03°
• β: 78.52 ± 0.03°
• γ: 69.09 ± 0.03°
• Cell volume: 841.4 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes