Information card for entry 7220913

Structure parameters

• Chemical name: 3
• Formula: C28 H20 Co N6
• Calculated formula: C28 H20 Co N6
• 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: 8.9584 ± 0.0002 Å
• b: 14.6692 ± 0.0004 Å
• c: 19.0677 ± 0.0005 Å
• α: 90°
• β: 117.742 ± 0.002°
• γ: 90°
• Cell volume: 2217.71 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No