Information card for entry 7000510

Structure parameters

• Formula: C92 H200 Cu8 N32 O64
• Calculated formula: C92 H124 Cu8 N32 O64
• Title of publication: Cu(ii) complexation with an acridine-containing macrocycle. Assembly of water cluster chains within the cavity of tetranuclear metallomacrocycles
• Authors of publication: Bartoli, Stefania; Bazzicalupi, Carla; Biagini, Silvia; Borsari, Lucia; Bencini, Andrea; Faggi, Enrico; Giorgi, Claudia; Sangregorio, Claudio; Valtancoli, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1223 - 1230
• a: 19.647 ± 0.001 Å
• b: 28.417 ± 0.002 Å
• c: 26.741 ± 0.001 Å
• α: 90°
• β: 96.067 ± 0.005°
• γ: 90°
• Cell volume: 14846.1 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1949
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No