Information card for entry 4346519

Structure parameters

• Formula: C28 H38 B11 Cl11 N2
• Calculated formula: C28 H38 B11 Cl11 N2
• SMILES: n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cl[B]1234[CH]567[B]891(Cl)[B]1%105(Cl)[B]5%116(Cl)[B]627(Cl)[B]27%11(Cl)[B]%11%105(Cl)[B]591(Cl)[B]138(Cl)[B]462(Cl)[B]7%1151Cl
• Title of publication: Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.
• Authors of publication: Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9195 - 9200
• a: 10.578 ± 0.002 Å
• b: 12.099 ± 0.003 Å
• c: 17.099 ± 0.004 Å
• α: 87.879 ± 0.003°
• β: 86.955 ± 0.003°
• γ: 76.496 ± 0.004°
• Cell volume: 2124.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1086
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No