Information card for entry 7007709

Structure parameters

• Formula: C26 H36 Br Cl2 N7 O8 Pb
• Calculated formula: C26 H35 Br Cl2 N7 O8 Pb
• SMILES: [Pb]1234(Br)[n]5c6cccc5c5[n]4c(c4cccc([n]24)C[NH]1CCCNCCCNCCC[NH]3C6)ccc5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes.
• Authors of publication: Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5743 - 5752
• a: 13.005 ± 0.003 Å
• b: 14.517 ± 0.004 Å
• c: 17.229 ± 0.005 Å
• α: 90°
• β: 90.84 ± 0.02°
• γ: 90°
• Cell volume: 3252.4 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2477
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No