Information card for entry 7215706

Structure parameters

• Common name: Toluene Solvate (6)
• Formula: C39 H43 Ag2 B2 F8 N8
• Calculated formula: C39 H43 Ag2 B2 F8 N8
• Title of publication: Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle
• Authors of publication: du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4126
• a: 6.9746 ± 0.001 Å
• b: 12.0647 ± 0.0017 Å
• c: 13.1454 ± 0.0018 Å
• α: 72.422 ± 0.002°
• β: 87.762 ± 0.002°
• γ: 86.363 ± 0.002°
• Cell volume: 1052.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No