Information card for entry 7000867

Structure parameters

• Formula: C117 H143 Cl23 Co4 N16 O5
• Calculated formula: C117 H133 Cl23 Co4 N16 O5
• 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: 17.2495 ± 0.0007 Å
• b: 16.7771 ± 0.0007 Å
• c: 26.0051 ± 0.0009 Å
• α: 90°
• β: 90.02 ± 0.03°
• γ: 90°
• Cell volume: 7525.8 ± 0.5 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: 0.2699
• Residual factor for significantly intense reflections: 0.1487
• Weighted residual factors for significantly intense reflections: 0.3953
• Weighted residual factors for all reflections included in the refinement: 0.441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No