Information card for entry 7215703

Structure parameters

• Common name: Chloroform Solvate (3)
• Formula: C34 H38 Ag2 B2 Cl6 F8 N8
• Calculated formula: C34 H38 Ag2 B2 Cl6 F8 N8
• SMILES: Cc1[n]2ccn1Cc1ccc(Cn3cc[n]([Ag][n]4c(C)n(cc4)Cc4ccc(Cn5cc[n]([Ag]2)c5C)cc4)c3C)cc1.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl
• 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: 7.091 ± 0.0019 Å
• b: 20.479 ± 0.006 Å
• c: 14.855 ± 0.005 Å
• α: 90°
• β: 91.038 ± 0.004°
• γ: 90°
• Cell volume: 2156.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No