Information card for entry 4506919

Structure parameters

• Formula: C46 H36 Cl3 N12 O16 Pd2
• Calculated formula: C46 H36 Cl3 N12 O16 Pd2
• SMILES: [Pd]12([n]3cccc4ccc5c([n]1ccc5)c34)[n]1cc(ccc1)NC(=O)Nc1ccc[n]([Pd]3([n]4c5c6[n]3cccc6ccc5ccc4)[n]3cccc(NC(=O)Nc4c[n]2ccc4)c3)c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing
• Authors of publication: Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6012
• a: 21.126 ± 0.003 Å
• b: 24.369 ± 0.003 Å
• c: 23.647 ± 0.003 Å
• α: 90°
• β: 104.945 ± 0.006°
• γ: 90°
• Cell volume: 11762 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.4013
• Residual factor for significantly intense reflections: 0.2455
• Weighted residual factors for significantly intense reflections: 0.5785
• Weighted residual factors for all reflections included in the refinement: 0.6308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No