Information card for entry 4066548

Structure parameters

• Formula: C41 H47 B2 Dy N2 Si2
• Calculated formula: C41 H47 B2 Dy N2 Si2
• SMILES: [Dy]123456789([CH]%10B(N(c%11ccccc%11)c%11ccccc%11)[CH]4=[CH]3C2[CH]1=%10)([CH]1=[CH]5C6[CH]7=[CH]8B1N(c1ccccc1)c1ccccc1)=C([Si](C9)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Structural Features of Boratabenzene Rare-Earth Metal Alkyl Complexes
• Authors of publication: Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3722
• a: 8.649 ± 0.0003 Å
• b: 17.875 ± 0.0005 Å
• c: 25.3892 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3925.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No