Information card for entry 1516445

Structure parameters

• Common name: CuClMe4
• Formula: C96 H112 Cl6 Cu3 N24 O23.6
• Calculated formula: C96 H112 Cl6 Cu3 N24 O23.606
• Title of publication: Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel†
• Authors of publication: Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.
• Journal of publication: Langmuir
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 8451
• a: 9.1548 ± 0.0003 Å
• b: 14.876 ± 0.0005 Å
• c: 22.3887 ± 0.0007 Å
• α: 78.557 ± 0.001°
• β: 84.283 ± 0.002°
• γ: 81.915 ± 0.001°
• Cell volume: 2950.64 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No