Information card for entry 4508555

Structure parameters

• Common name: PCH269 Cd DDPrC[4] TMePhen
• Formula: C58 H70 Cd N4 O13
• Calculated formula: C58 H64 Cd N4 O13
• Title of publication: Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes
• 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: 12
• Pages of publication: 5165
• a: 11.3697 ± 0.0006 Å
• b: 15.0647 ± 0.0007 Å
• c: 17.648 ± 0.0009 Å
• α: 103.253 ± 0.002°
• β: 101.955 ± 0.002°
• γ: 105.345 ± 0.002°
• Cell volume: 2719.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1092
• 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: Yes
• Has Fobs: No