Information card for entry 4506915

Structure parameters

• Formula: C34 H52 N16 O18 Pd2
• Calculated formula: C34 H52 N16 O18 Pd2
• SMILES: C1C[NH2][Pd]2([n]3cccc(c3)NC(=O)Nc3ccc[n](c3)[Pd]3([NH2]CC[NH2]3)[n]3cccc(c3)NC(=O)Nc3ccc[n]2c3)[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O1CCOCC1.O1CCOCC1
• 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: 11.9558 ± 0.0013 Å
• b: 13.9593 ± 0.0015 Å
• c: 14.9742 ± 0.0016 Å
• α: 75.258 ± 0.004°
• β: 82.855 ± 0.004°
• γ: 88.532 ± 0.004°
• Cell volume: 2398 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No