Information card for entry 4503615

Structure parameters

• Formula: C56 H44 N6 O26 Pd
• Calculated formula: C56 H44 N6 O26 Pd
• SMILES: c12cccc[n]1[Pd]1([n]3ccccc3N2)[n]2ccccc2Nc2cccc[n]12.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O.O=C(c1cc(cc(c1)C(=O)O)C(=O)[O-])O.O.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)[O-].O
• Title of publication: Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest−Organic Host Supramolecular System
• Authors of publication: Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2073
• a: 7.6227 ± 0.0005 Å
• b: 12.3715 ± 0.0007 Å
• c: 15.6036 ± 0.0009 Å
• α: 107.911 ± 0.001°
• β: 103.217 ± 0.001°
• γ: 95.312 ± 0.001°
• Cell volume: 1341.84 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No