Information card for entry 4127392

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: 19.811 ± 0.002 Å
• b: 15.4443 ± 0.0016 Å
• c: 15.0786 ± 0.0014 Å
• α: 115.954 ± 0.003°
• β: 108.416 ± 0.003°
• γ: 94.546 ± 0.003°
• Cell volume: 3805.7 ± 0.7 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: 0.0577
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No