Information card for entry 4032512

Structure parameters

• Formula: C150.5 H146.5 Cl19.5 N34 O8 Zn2
• Calculated formula: C150.5 H146.5 Cl19.5 N34 O8 Zn2
• Title of publication: Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.
• Authors of publication: Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 5845 - 5851
• a: 13.23 ± 0.003 Å
• b: 18.199 ± 0.004 Å
• c: 21.746 ± 0.007 Å
• α: 112.842 ± 0.007°
• β: 105.02 ± 0.007°
• γ: 95.223 ± 0.006°
• Cell volume: 4551 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.3334
• Weighted residual factors for all reflections included in the refinement: 0.3505
• Goodness-of-fit parameter for all reflections included in the refinement: 2.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No