Information card for entry 4322365

Structure parameters

• Common name: lfnn
• Chemical name: trans-B~20~H~16~(NH~3~)~2~
• Formula: C6 H34 B20 N2 O2
• Calculated formula: C6 H34 B20 N2 O2
• SMILES: [B]1234([BH]567[BH]891[BH]1%105[BH]59[BH]928[BH]284[BH]436[B]3712([BH]126[B]7%11%12([BH]%13%141[B]1%15432[BH]267[BH]34%15[BH]6%141[BH]1%11%13[BH]%1223[BH]461)[NH3])[BH]%10598)[NH3].C(=O)(C)C.C(=O)(C)C
• Title of publication: The Synthesis of [Me~4~N]~2~[a^2^-B~20~H~16~(NH~3~)~2~] and trans-B~20~H~16~(NH~3~)~2~ from [Me~3~NH][cis-B~20~H~17~NH~3~] and Their Structural Characterization.
• Authors of publication: Fangbiao Li; Kenneth Shelly; Carolyn B. Knobler; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4926 - 4927
• a: 6.976 ± 0.003 Å
• b: 8.648 ± 0.004 Å
• c: 10.6 ± 0.004 Å
• α: 75.872 ± 0.01°
• β: 85.301 ± 0.01°
• γ: 77.729 ± 0.01°
• Cell volume: 605.7 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.2063
• Weighted residual factors for significantly intense reflections: 0.1464
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No