Information card for entry 7200506

Structure parameters

• Formula: C25 H60 Cl3 N7 O14 Zn
• Calculated formula: C25 H56 Cl3 N7 O14 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: 8.635 ± 0.001 Å
• b: 8.67 ± 0.001 Å
• c: 14.688 ± 0.002 Å
• α: 89.29 ± 0.01°
• β: 88.85 ± 0.01°
• γ: 60.12 ± 0.01°
• Cell volume: 953.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No