Information card for entry 1516910

Structure parameters

• Formula: C36 H44 N6 O20 Pd
• Calculated formula: C36 H40 N6 O20 Pd
• SMILES: [Pd]12([n]3cccc(c3)C(=O)OCCOCCOCCOC(=O)c3c[n]1ccc3)[n]1cccc(c1)C(=O)OCCOCCOCCOC(=O)c1c[n]2ccc1.O=N([O-])=O.O.O=N([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: 9.918 ± 0.002 Å
• b: 9.982 ± 0.002 Å
• c: 14.23 ± 0.003 Å
• α: 101.06 ± 0.03°
• β: 107.24 ± 0.03°
• γ: 93.23 ± 0.03°
• Cell volume: 1310.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2491
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No