Information card for entry 7019881

Structure parameters

• Formula: C22 H38 B O Y
• Calculated formula: C22 H38 B O Y
• 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: 8.6457 ± 0.0003 Å
• b: 16.8105 ± 0.0006 Å
• c: 16.8419 ± 0.0006 Å
• α: 65.9645 ± 0.0004°
• β: 87.0262 ± 0.0005°
• γ: 81.1176 ± 0.0005°
• Cell volume: 2208.56 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No