Information card for entry 4306824

Structure parameters

• Formula: C110 H166 Cl8 Cu12 N36 O109
• Calculated formula: C110 H126 Cl8 Cu12 N36 O109
• 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: 22.266 ± 0.002 Å
• b: 25.164 ± 0.002 Å
• c: 18.699 ± 0.002 Å
• α: 90°
• β: 119.1 ± 0.004°
• γ: 90°
• Cell volume: 9154.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4306822
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No