Information card for entry 7050343

Structure parameters

• Common name: acetonitrile cyclotriveratrylene penta-bromo-1-carbaborane rubidium(i)
• Formula: C60 H76 B18 Br10 N2 O12 Rb2
• Calculated formula: C60 H76 B18 Br10 N2 O12 Rb2
• Title of publication: Propeller-shaped chain and 2D grid coordination polymers with the host molecule cyclotriveratrylene and (CB9H5Br5)-
• Authors of publication: R.Ahmad
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 15.958 ± 0.0002 Å
• b: 27.329 ± 0.0004 Å
• c: 19.386 ± 0.0003 Å
• α: 90°
• β: 90.226 ± 0.001°
• γ: 90°
• Cell volume: 8454.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.086
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No