Information card for entry 7000869

Structure parameters

• Formula: C233 H285 Cl43 Cu8 N32 O10
• Calculated formula: C233 H265 Cl43 Cu8 N32 O10
• Title of publication: Synthesis and structural studies of metallamacrotricycles based on a metacyclophane in 1,3-alternate conformation bearing four imidazolyl units
• Authors of publication: Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2552 - 2557
• a: 16.9105 ± 0.0011 Å
• b: 17.1432 ± 0.0013 Å
• c: 25.962 ± 0.0019 Å
• α: 90°
• β: 91.011 ± 0.004°
• γ: 90°
• Cell volume: 7525.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3804
• Residual factor for significantly intense reflections: 0.1534
• Weighted residual factors for significantly intense reflections: 0.3893
• Weighted residual factors for all reflections included in the refinement: 0.4897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No