Information card for entry 7238100

Structure parameters

• Formula: C42 H42 I2 N2 O5 Pd
• Calculated formula: C42 H42 I2 N2 O5 Pd
• Title of publication: Engineering organic/inorganic diols that reversibly capture and release volatile guests
• Authors of publication: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 86
• Pages of publication: 527
• a: 12.388 ± 0.001 Å
• b: 13.834 ± 0.002 Å
• c: 14.151 ± 0.002 Å
• α: 64.58 ± 0.002°
• β: 67.931 ± 0.002°
• γ: 83.78 ± 0.002°
• Cell volume: 2025.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No