Information card for entry 7105045

Structure parameters

• Common name: HB(NHDIPP)2
• Formula: C24 H37 B N2
• Calculated formula: C24 H37 B N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)NBNc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and structure of a magnesium-amidoborane complex and its role in catalytic formation of a new bis-aminoborane ligand.
• Authors of publication: Spielmann, Jan; Bolte, Michael; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 6934 - 6936
• a: 10.2052 ± 0.0009 Å
• b: 10.3128 ± 0.0009 Å
• c: 11.5048 ± 0.0011 Å
• α: 90°
• β: 108.727 ± 0.005°
• γ: 90°
• Cell volume: 1146.71 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No