Information card for entry 4309921

Structure parameters

• Formula: C33 H77 Cl3 N15 O20.5 Pd3
• Calculated formula: C33 H66 Cl3 N15 O20.5 Pd3
• Title of publication: Cyclic Trimer versus Head-Tail Dimer in Metal-Nucleobase Complexes: Importance of Relative Orientation (Syn,Anti) of the Metal Entities and Relevance as a Metallaazacrown Compound
• Authors of publication: Wei-Zheng Shen; Deepali Gupta; Bernhard Lippert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8249 - 8258
• a: 12.621 ± 0.003 Å
• b: 13.074 ± 0.003 Å
• c: 19.722 ± 0.004 Å
• α: 78.22 ± 0.03°
• β: 86.87 ± 0.03°
• γ: 65.56 ± 0.03°
• Cell volume: 2898.6 ± 1.4 ų
• Cell temperature: 153 ± 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 significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No