Information card for entry 4510734

Structure parameters

• Common name: 8
• Formula: C106 H134 Co N6 O16
• Calculated formula: C106 H134 Co N6 O16
• Title of publication: Molecular Paneling in the Rational Design of Calixarene Coordination Polymers
• Authors of publication: Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2703
• a: 13.0333 ± 0.0008 Å
• b: 13.5524 ± 0.0007 Å
• c: 27.8507 ± 0.0018 Å
• α: 92.526 ± 0.004°
• β: 95.448 ± 0.004°
• γ: 99.997 ± 0.004°
• Cell volume: 4813.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1203
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No