Information card for entry 7238101

Structure parameters

• Formula: C36 H30 I2 N2 O2 Pd
• Calculated formula: C36 H30 I2 N2 O2 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: 10.955 ± 0.002 Å
• b: 11.153 ± 0.002 Å
• c: 14.248 ± 0.003 Å
• α: 91.81 ± 0.003°
• β: 91.062 ± 0.004°
• γ: 105.529 ± 0.003°
• Cell volume: 1675.8 ± 0.6 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: 0.1475
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.3493
• Weighted residual factors for all reflections included in the refinement: 0.3703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No