Information card for entry 1516908

Structure parameters

• Formula: C26 H24 N6 O11 Pd
• Calculated formula: C26 H24 N6 O11 Pd
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)[n]2cccc(c2)C(=O)OCCOCCOC(=O)c2ccc[n]1c2.O=N(=O)[O-].O=N(=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: 13.877 ± 0.003 Å
• b: 15.793 ± 0.003 Å
• c: 17.406 ± 0.003 Å
• α: 83.599 ± 0.01°
• β: 73.146 ± 0.009°
• γ: 71.742 ± 0.01°
• Cell volume: 3466.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No