Information card for entry 7102057

Structure parameters

• Formula: C117 H92 Co2 N12 O13
• Calculated formula: C117 H90 Co2 N12 O13
• SMILES: [Co]123(n4cccc4C(=C4C=CC=[N]14)c1ccc(cc1)C(=O)O)(n1cccc1C(=C1C=CC=[N]21)c1ccc(cc1)C(=O)O)n1cccc1C(=C1C=CC=[N]31)c1ccc(cc1)C(=O)O.Cc1ccccc1.Cc1ccccc1.O
• Title of publication: Metallotectons: using enantiopure tris(dipyrrinato)cobalt(III) complexes to build chiral molecular materials.
• Authors of publication: Telfer, Shane G; Wuest, James D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3166 - 3168
• a: 9.5089 ± 0.0006 Å
• b: 13.8437 ± 0.0009 Å
• c: 20.3971 ± 0.0014 Å
• α: 86.879 ± 0.003°
• β: 84.876 ± 0.004°
• γ: 81.32 ± 0.004°
• Cell volume: 2641.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No