Information card for entry 7011300

Structure parameters

• Formula: C120 H120 Co N14 O18
• Calculated formula: C120 H120 Co N14 O18
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccncc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Using long bis(4-pyridyl) ligands designed for the self-assembly of coordination frameworks and architectures
• Authors of publication: Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2714
• a: 12.554 ± 0.005 Å
• b: 18.42 ± 0.005 Å
• c: 23.888 ± 0.005 Å
• α: 89.018 ± 0.005°
• β: 87.264 ± 0.005°
• γ: 87.106 ± 0.005°
• Cell volume: 5510 ± 3 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: 0.108
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.1038
• Goodness-of-fit parameter for all reflections: 0.733
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No