Information card for entry 7024441

Structure parameters

• Formula: C48 H59 Br2 Cl2 Co N4 O2.5
• Calculated formula: C48 H54 Br2 Cl2 Co N4 O2.5
• SMILES: c12c(c3c(c(c1C)Cc1c(c(Br)c(c(c1C)Cc1c(c(c(c(c1C)Cc1c(c(c(c(c1C)C2)C)Br)C)C)Cn1c[n](cc1)[Co]([n]1cn(C3)cc1)(Cl)Cl)C)C)C)C)C.O.O.O
• Title of publication: Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.
• Authors of publication: Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 2137 - 2146
• a: 11.8253 ± 0.0009 Å
• b: 14.3 ± 0.0011 Å
• c: 15.6345 ± 0.0012 Å
• α: 92.834 ± 0.004°
• β: 99.43 ± 0.003°
• γ: 107.919 ± 0.004°
• Cell volume: 2467.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No