Information card for entry 4116923

Structure parameters

• Formula: C70 H92 Co2 N8
• Calculated formula: C70 H92 Co2 N8
• SMILES: [Co]123[n]4c(c(c(c4=Cc4n1c(c(c4CC)CC)Cc1n4[Co]5([n]6c(=Cc4c(c1CC)CC)c(c(c6C)CC)C)n1c(Cc4n3c(C=c3[n]2c(c(c3C)CC)C)c(c4CC)CC)c(c(c1C=c1[n]5c(c(c1C)CC)C)CC)CC)C)CC)C
• Title of publication: The Use of Dipyrromethene Ligands in Supramolecular Chemistry
• Authors of publication: Yongjun Zhang; Alison Thompson; Steven J. Rettig; David Dolphin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 13537 - 13538
• a: 12.306 ± 0.002 Å
• b: 14.666 ± 0.003 Å
• c: 19.939 ± 0.006 Å
• α: 86.751 ± 0.007°
• β: 76.853 ± 0.004°
• γ: 66.157 ± 0.002°
• Cell volume: 3202.7 ± 1.3 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2152
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections: 1.56
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No