Information card for entry 7019880

Structure parameters

• Formula: C24 H42 B O Y
• Calculated formula: C24 H42 B O Y
• SMILES: [Y]123456789([O]%10CCCC%10)([H][BH2][H]1)([c]1([c]2([c]5([c]4([c]31C)C)C)C)C)[c]1([c]6([c]9([c]8([c]71C)C)C)C)C
• Title of publication: Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.
• Authors of publication: Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9659 - 9666
• a: 8.5431 ± 0.001 Å
• b: 17.102 ± 0.002 Å
• c: 18.187 ± 0.002 Å
• α: 62.5943 ± 0.0013°
• β: 88.1152 ± 0.0016°
• γ: 85.947 ± 0.0016°
• Cell volume: 2353.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No