Information card for entry 4127393

Structure parameters

• Formula: C76 H66 Cd2 N6 O12
• Calculated formula: C76 H66 Cd2 N6 O12
• Title of publication: A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.
• Authors of publication: Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11425 - 11429
• a: 20.0731 ± 0.0012 Å
• b: 15.4449 ± 0.0009 Å
• c: 15.1647 ± 0.0008 Å
• α: 114.71 ± 0.002°
• β: 107.275 ± 0.002°
• γ: 95.625 ± 0.002°
• Cell volume: 3942.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No