Information card for entry 4508069

Structure parameters

• Formula: C44 H72 Cl4 N12 O22 Pd2
• Calculated formula: C44 H72 Cl4 N12 O22 Pd2
• SMILES: C[N]1(CC[N](C)(C)[Pd]21[n]1ccc(cc1)CN1CCN(CC1)Cc1cc[n](cc1)[Pd]1([N](C)(C)CC[N]1(C)C)[n]1ccc(cc1)CN1CCN(CC1)Cc1cc[n]2cc1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 12.1709 ± 0.0011 Å
• b: 17.4598 ± 0.0013 Å
• c: 16.8831 ± 0.0015 Å
• α: 90°
• β: 95.199 ± 0.004°
• γ: 90°
• Cell volume: 3572.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No