Information card for entry 2015623

Structure parameters

• Chemical name: Bis(methylaminedihydroborane) triiodide
• Formula: C2 H12 B I3 N2
• Calculated formula: C2 H12 B I3 N2
• SMILES: I[I-]I.[BH2]([NH2]C)[NH2]C
• Title of publication: Dihydrobis(methylamine)borate triiodide
• Authors of publication: Gainsford, Graeme J.; Kemmitt, Tim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o602 - o604
• a: 9.3387 ± 0.0011 Å
• b: 7.1393 ± 0.0008 Å
• c: 9.4837 ± 0.001 Å
• α: 90°
• β: 118.495 ± 0.005°
• γ: 90°
• Cell volume: 555.7 ± 0.11 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes