Information card for entry 4127391

Structure parameters

• Formula: C84 H81.9 Cd2 N8 O14
• Calculated formula: C84 H81.894 Cd2 N8 O14
• 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: 19.4978 ± 0.0009 Å
• b: 15.492 ± 0.0008 Å
• c: 15.3385 ± 0.0007 Å
• α: 116.236 ± 0.002°
• β: 108.509 ± 0.002°
• γ: 93.369 ± 0.002°
• Cell volume: 3831.4 ± 0.3 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: 0.0554
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No