Information card for entry 7107602

Structure parameters

• Formula: C64 H48 Cu F12 N6 O16 P2
• Calculated formula: C64 H40 Cu F12 N6 O14 P2
• Title of publication: Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in single crystal to single crystal fashion
• Authors of publication: Gargi Mukherjee; Kumar Biradha
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4293
• a: 10.213 ± 0.003 Å
• b: 18.938 ± 0.005 Å
• c: 16.619 ± 0.004 Å
• α: 90°
• β: 96.744 ± 0.009°
• γ: 90°
• Cell volume: 3192.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1858
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No