Information card for entry 7241511

Structure parameters

• Formula: C21 H33 Cl2 N5 O8 Pb
• Calculated formula: C21 H33 Cl2 N5 O8 Pb
• Title of publication: A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs
• Authors of publication: Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 453 - 464
• a: 11.2878 ± 0.0004 Å
• b: 19.5609 ± 0.0008 Å
• c: 12.4512 ± 0.0004 Å
• α: 90°
• β: 93.307 ± 0.002°
• γ: 90°
• Cell volume: 2744.64 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No