Information card for entry 7215534

Structure parameters

• Formula: C25 H55.5 Cl2 N7 O8.25 Zn
• Calculated formula: C25 H55 Cl2 N7 O8.247 Zn
• Title of publication: Proton switching of polarity in metalloamphiphile crystals
• Authors of publication: Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 249 - 253
• a: 15.4878 ± 0.0007 Å
• b: 8.8523 ± 0.0005 Å
• c: 49.23 ± 0.003 Å
• α: 90°
• β: 92.832 ± 0.006°
• γ: 90°
• Cell volume: 6741.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2935
• Weighted residual factors for all reflections included in the refinement: 0.331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7200507
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No