Information card for entry 4508776

Structure parameters

• Formula: C44 H46 Cu N4 O9 S
• Calculated formula: C44 H46 Cu N4 O9 S
• Title of publication: Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)
• Authors of publication: Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2308
• a: 12.796 ± 0.004 Å
• b: 13.491 ± 0.004 Å
• c: 14.131 ± 0.004 Å
• α: 90.636 ± 0.005°
• β: 108.398 ± 0.005°
• γ: 116.762 ± 0.005°
• Cell volume: 2032.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No