Information card for entry 7215702

Structure parameters

• Common name: Acetone Solvate (2)
• Formula: C38 H48 Ag2 B2 F8 N8 O2
• Calculated formula: C38 H48 Ag2 B2 F8 N8 O2
• SMILES: [B](F)(F)(F)[F-].Cc1[n]2[Ag][n]3ccn(Cc4ccc(Cn5c(C)[n](cc5)[Ag][n]5c(C)n(Cc6ccc(Cn1cc2)cc6)cc5)cc4)c3C.O=C(C)C.[B](F)(F)(F)[F-].O=C(C)C
• 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: 7.1272 ± 0.0012 Å
• b: 12.249 ± 0.002 Å
• c: 12.943 ± 0.002 Å
• α: 71.973 ± 0.002°
• β: 89.308 ± 0.002°
• γ: 89.483 ± 0.002°
• Cell volume: 1074.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No