Information card for entry 4506917

Structure parameters

• Formula: C42 H36 Cl4 N12 O19 Pd2
• Calculated formula: C42 H36 Cl4 N12 O18 Pd2
• SMILES: c1cccc2c3cccc[n]3[Pd]3([n]12)[n]1cccc(c1)NC(=O)Nc1ccc[n](c1)[Pd]1([n]2c(c4cccc[n]14)cccc2)[n]1cccc(c1)NC(=O)Nc1ccc[n]3c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=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: 13.7721 ± 0.0011 Å
• b: 14.3283 ± 0.0011 Å
• c: 15.2061 ± 0.0011 Å
• α: 72.723 ± 0.003°
• β: 78.255 ± 0.003°
• γ: 76.979 ± 0.003°
• Cell volume: 2761.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No