Information card for entry 7216012

Structure parameters

• Formula: C36 H44 N4 O18 Zn3
• Calculated formula: C36 H44 N4 O18 Zn3
• Title of publication: Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework
• Authors of publication: Hawxwell, Samuel M.; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 473
• a: 12.8991 ± 0.0012 Å
• b: 9.7403 ± 0.0009 Å
• c: 18.2827 ± 0.0018 Å
• α: 90°
• β: 108.577 ± 0.006°
• γ: 90°
• Cell volume: 2177.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.142
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.846 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7203372
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No