Information card for entry 4320660

Structure parameters

• Formula: C71 H77 B2 N7 Pb
• Calculated formula: C71 H75 B2 N7 Pb
• SMILES: [Pb]12345[n]6c7c8[n]1c(ccc8)C[NH]2CC[N]3(C)CC[N]4(C)CCN(C)CC[NH]5Cc6ccc7.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cd(II) and Pb(II) Complexation by Dipyridine-Containing Macrocycles with Different Molecular Architecture. Effect of Complex Protonation on Metal Coordination Environment
• Authors of publication: Paloma Arranz; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Samuele Ciattini; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6383 - 6389
• a: 11.335 ± 0.005 Å
• b: 28.526 ± 0.005 Å
• c: 19.635 ± 0.005 Å
• α: 90 ± 0.005°
• β: 106.43 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6090 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No