Information card for entry 7238098

Structure parameters

• Formula: C40 H42 I2 N2 O4 Pd S2
• Calculated formula: C40 H42 I2 N2 O4 Pd S2
• 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: 6.4271 ± 0.0005 Å
• b: 12.845 ± 0.001 Å
• c: 13.122 ± 0.001 Å
• α: 87.403 ± 0.001°
• β: 78.592 ± 0.001°
• γ: 87.916 ± 0.001°
• Cell volume: 1060.39 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No