Information card for entry 2238658

Structure parameters

• Chemical name: [μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)
• Formula: C33 H38 B2 Cl2 Fe Zr2
• Calculated formula: C33 H38 B2 Cl2 Fe Zr2
• Title of publication: [μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)
• Authors of publication: Reichert, Adelina; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m534 - m535
• a: 18.2954 ± 0.0009 Å
• b: 11.6004 ± 0.0006 Å
• c: 15.3351 ± 0.0006 Å
• α: 90°
• β: 104.963 ± 0.003°
• γ: 90°
• Cell volume: 3144.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0866
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No