Information card for entry 4306825

Structure parameters

• Formula: C36 H62 Cl2 Cu N12 O33
• Calculated formula: C36 H52 Cl2 Cu N12 O33
• Title of publication: Self-Assembly of a Chiral Carbonate- and Cytidine-Containing Dodecanuclear Copper(II) Complex: a Multiarm-Supplied Globular Capsule
• Authors of publication: Donatella Armentano; Nadia Marino; Teresa F. Mastropietro; José Martínez-Lillo; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10229 - 10231
• a: 11.1981 ± 0.0004 Å
• b: 19.2273 ± 0.0005 Å
• c: 24.783 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5336 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4306823
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No