Information card for entry 4324088

Structure parameters

• Common name: dodecahydro-arachno-bis-amine
• Formula: B10 H18 N2
• Calculated formula: B10 H18 N2
• SMILES: [BH]12([BH]345[BH]671[BH]18([BH]9([BH]%10%111[BH]368[BH]15%11[BH]324[BH]9%101[H]3)[NH3])[H]7)[NH3]
• Title of publication: Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes
• Authors of publication: Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 90 - 103
• a: 17.863 ± 0.004 Å
• b: 7.316 ± 0.002 Å
• c: 7.177 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 937.9 ± 0.4 ų
• Cell temperature: 9 ± 2 K
• Ambient diffraction temperature: 9 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.061
• RFsqd: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.448
• Diffraction radiation wavelength: 0.5166 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No