Information card for entry 7111250

Structure parameters

• Formula: C48 H88 Cl4 Cu4 N8 O34
• Calculated formula: C48 H80 Cl4 Cu4 N8 O27.92
• Title of publication: Proton-controlled inter-conversion between an achiral discrete molecular square and a chiral interpenetrated double-chain architecture
• Authors of publication: Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan; Diaz, Carmen
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2550
• a: 13.4001 ± 0.001 Å
• b: 13.4001 ± 0.001 Å
• c: 34.747 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6239.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1843
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.3252
• Weighted residual factors for all reflections included in the refinement: 0.3578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No