Information card for entry 4504714

Structure parameters

• Common name: 1,10-diammoniodecane bispentaborate
• Formula: C10 H34 B10 N2 O20
• Calculated formula: C10 H34 B10 N2 O20
• SMILES: [B]12(OB(O)OB(O1)O)OB(O)OB(O2)O.C(CCCCCCCCC[NH3+])[NH3+].[B]12(OB(O)OB(O1)O)OB(O)OB(O2)O
• Title of publication: Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes
• Authors of publication: Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 538
• a: 9.3759 ± 0.0006 Å
• b: 14.037 ± 0.0009 Å
• c: 10.5878 ± 0.0007 Å
• α: 90°
• β: 90.072 ± 0.001°
• γ: 90°
• Cell volume: 1393.45 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.717
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No