Information card for entry 1551325

Structure parameters

• Formula: C218.02 H246.5 Cl1.5 N35 O1.5
• Calculated formula: C218.02 H240.5 Cl1.5 N35 O0.84
• Title of publication: Trapping virtual pores by crystal retro-engineering
• Authors of publication: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 153 - 159
• a: 20.718 ± 0.002 Å
• b: 20.718 ± 0.002 Å
• c: 44.992 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16725 ± 3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No