Information card for entry 7012338

Structure parameters

• Formula: C60 H73 Cl0 N8 O4.5 Pd2 S8
• Calculated formula: C60 H68 N8 O4.5 Pd2 S8
• Title of publication: Pyrrole-based metallo-macrocycles and cryptands
• Authors of publication: Beer, Paul D.; Cheetham, Andrew G.; Drew, Michael G. B.; Fox, O. Danny; Hayes, Elizabeth J.; Rolls, Toby D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 603
• a: 13.16 ± 0.017 Å
• b: 16.82 ± 0.02 Å
• c: 17.26 ± 0.02 Å
• α: 68.39 ± 0.01°
• β: 81.782 ± 0.01°
• γ: 78.999 ± 0.01°
• Cell volume: 3476 ± 7 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: 0.1433
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No