Information card for entry 4302060

Structure parameters

• Chemical name: (1,3-Ph2acac)Co(II), 4-[(2-MeBenzIm)methyl]PhCONH2 (THF)
• Formula: C70 H68 Co N6 O8
• Calculated formula: C70 H68 Co N6 O8
• Title of publication: Establishing Amide...Amide Reliability and Synthon Transferability in the Supramolecular Assembly of Metal-Containing One-Dimensional Architectures
• Authors of publication: Christer B. Aakeröy; Benjamin M. T. Scott; Michelle M. Smith; Joaquin F. Urbina; John Desper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4052 - 4061
• a: 8.967 ± 0.0006 Å
• b: 11.2006 ± 0.0007 Å
• c: 15.3238 ± 0.0009 Å
• α: 75.533 ± 0.003°
• β: 80.377 ± 0.004°
• γ: 79.221 ± 0.004°
• Cell volume: 1452.18 ± 0.16 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No