Information card for entry 7053611

Structure parameters

• Formula: C46 H88 B2 Li4 N4 O6
• Calculated formula: C46 H88 B2 Li4 N4 O6
• SMILES: B(c1ccc(B([N]2(C(C)(C)C)[Li]34[O]5CCCC5)[N]3(C(C)(C)C)[Li]2([O]42CCCC2)[O]2CCCC2)cc1)([N]1(C(C)(C)C)[Li]23[O]4CCCC4)[N]2(C(C)(C)C)[Li]1([O]31CCCC1)[O]1CCCC1
• Title of publication: Syntheses and structures of new alkali-metal boraamidinates and ferrocenyl aminoboranes
• Authors of publication: Corrente, Andrea M.; Chivers, Tristram
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1751
• a: 10.003 ± 0.002 Å
• b: 14.712 ± 0.003 Å
• c: 19.859 ± 0.004 Å
• α: 90°
• β: 91.29 ± 0.03°
• γ: 90°
• Cell volume: 2921.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No