Information card for entry 7113060

Structure parameters

• Formula: C12 H48 B4 N5 Sc Si2
• Calculated formula: C12 H48 B4 N5 Sc Si2
• SMILES: [Sc]1234(N([SiH](C)C)[SiH](C)C)([N]([BH2][N]([BH]([H]3)[H]4)(C)C)(C)C)[N]([BH2][N]([BH]([H]1)[H]2)(C)C)(C)C
• Title of publication: Group 3-centred dehydrocoupling of Me2NH·BH3.
• Authors of publication: Hill, Michael S.; Kociok-Köhn, Gabriele; Robinson, Thomas P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 7587 - 7589
• a: 8.3019 ± 0.0003 Å
• b: 28.6721 ± 0.0011 Å
• c: 11.4062 ± 0.0004 Å
• α: 90°
• β: 108.784 ± 0.002°
• γ: 90°
• Cell volume: 2570.45 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No