Information card for entry 1516909

Structure parameters

• Formula: C18 H28 N6 O13 Pd
• Calculated formula: C18 H28 N6 O13 Pd
• SMILES: C1C[NH2][Pd]2([NH2]1)[n]1cccc(c1)C(=O)OCCOCCOC(=O)c1ccc[n]2c1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Self-assembled mononuclear palladium(II) based molecular loopsOriginal
• Authors of publication: Himansu Sekhar Sahoo; Debakanta Tripathy; Sabyasachi Chakrabortty; Satish Bhat; Avinash Kumbhar; Dillip Kumar Chand
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 42 - 50
• a: 9.8586 ± 0.0002 Å
• b: 10.2379 ± 0.0002 Å
• c: 13.2723 ± 0.0003 Å
• α: 93.338 ± 0.001°
• β: 99.68 ± 0.001°
• γ: 102.739 ± 0.001°
• Cell volume: 1281.67 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0235
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No