Information card for entry 7220912

Structure parameters

• Chemical name: 2
• Formula: C56 H40 Co2 N12
• Calculated formula: C56 H40 Co2 N12
• Title of publication: Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands
• Authors of publication: Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5717
• a: 51.241 ± 0.003 Å
• b: 4.7974 ± 0.0003 Å
• c: 17.4614 ± 0.001 Å
• α: 90°
• β: 99.137 ± 0.004°
• γ: 90°
• Cell volume: 4238 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No