Information card for entry 4322364

Structure parameters

• Common name: lfnh3
• Chemical name: (Me~4~N)~2~ [a^2^-B~20~H~16~(NH~3~)~2~]
• Formula: C8 H46 B20 N4
• Calculated formula: C8 H46 B20 N4
• SMILES: [NH3][B]1234[B]56([BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691)[B]123[B]456([NH3])[BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[BH]491.[N+](C)(C)(C)C.[N+](C)(C)(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: 13.544 ± 0.009 Å
• b: 14.936 ± 0.01 Å
• c: 13.592 ± 0.009 Å
• α: 90°
• β: 102.75 ± 0.02°
• γ: 90°
• Cell volume: 2682 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1766
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections: 0.248
• Weighted residual factors for significantly intense reflections: 0.1937
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.211
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No