Information card for entry 7215704

Structure parameters

• Common name: Benzene Solvate
• Formula: C38 H42 Ag2 B2 F8 N8
• Calculated formula: C37.994 H41.994 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: 7.102 ± 0.0018 Å
• b: 12.388 ± 0.003 Å
• c: 12.794 ± 0.003 Å
• α: 72.237 ± 0.004°
• β: 89.284 ± 0.004°
• γ: 89.239 ± 0.004°
• Cell volume: 1071.8 ± 0.5 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: 0.051
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No