Information card for entry 4508070

Structure parameters

• Formula: C56 H56 N16 O32 Pd2
• Calculated formula: C56 H56 N16 O32 Pd2
• SMILES: c1ccc2ccc3ccc[n]4[Pd]5([n]1c2c34)[n]1ccc(cc1)CN1CCN(CC1)Cc1cc[n](cc1)[Pd]1([n]2cccc3ccc4ccc[n]1c4c23)[n]1ccc(cc1)CN1CCN(CC1)Cc1cc[n]5cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O
• Title of publication: Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers
• Authors of publication: Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3763
• a: 20.461 ± 0.004 Å
• b: 16.581 ± 0.003 Å
• c: 11.713 ± 0.002 Å
• α: 90°
• β: 103.48 ± 0.03°
• γ: 90°
• Cell volume: 3864.3 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No