Information card for entry 7118761

Structure parameters

• Formula: C160 H112 Cu6 F18 N32 Ti3
• Calculated formula: C160.001 H112.001 Cu6 F18 N31.9992 Ti3
• Title of publication: A rare cationic building block that generates a new type of polyhedral network with "cross-linked" pto topology.
• Authors of publication: Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4160 - 4162
• a: 21.2174 ± 0.0008 Å
• b: 21.2174 ± 0.0008 Å
• c: 21.2174 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9551.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 200
• Hermann-Mauguin space group symbol: P m -3
• Hall space group symbol: -P 2 2 3
• Residual factor for all reflections: 0.2601
• Residual factor for significantly intense reflections: 0.1732
• Weighted residual factors for significantly intense reflections: 0.4334
• Weighted residual factors for all reflections included in the refinement: 0.4642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No