Information card for entry 7050342

Structure parameters

• Common name: bis-cyclotriveratrylenepotassium penta-bromo-1-carbaborane 2,2,2-trifluorothenaol solvate
• Formula: C59 H71 B9 Br5 F6 K O14
• Calculated formula: C59 H71 B9 Br5 F6 K O14
• 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: 12.111 ± 0.0002 Å
• b: 15.9535 ± 0.0003 Å
• c: 19.4105 ± 0.0004 Å
• α: 91.725 ± 0.001°
• β: 93.531 ± 0.001°
• γ: 110.335 ± 0.001°
• Cell volume: 3504.63 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No