Information card for entry 4319393

Structure parameters

• Common name: bis tetraphenylarsonium dodecamethyldodecaborane
• Chemical name: bis tetraphenylarsonium dodecamethyldodecaborane
• Formula: C60 H76 As2 B12
• Calculated formula: C60 H76 As2 B12
• SMILES: [B]1234([B]567(C)[B]89%10([B]%11%12%13([B]%1458([B]58%11([B]%111([B]1%152([B]369([B]%10%13%15([B]%125%111C)C)C)C)([B]47%148C)C)C)C)C)C)C.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dodecamethyl-closo-dodecaborate(2-)
• Authors of publication: Peymann, Toralf; Knobler, Carolyn B.; Khan, Saeed I.; Hawthorne, M. Frederick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1291 - 1294
• a: 12.771 ± 0.003 Å
• b: 12.242 ± 0.003 Å
• c: 19.454 ± 0.005 Å
• α: 90°
• β: 108.215 ± 0.005°
• γ: 90°
• Cell volume: 2889.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0527
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No