Information card for entry 7107209

Structure parameters

• Formula: C56 H41 Cu2 F12 N19 O8 P2
• Calculated formula: C52 H35 Cu2 F12 N17 O8 P2
• Title of publication: A Self-assembled, Metalloorganic Supramolecular Frequency Doubler
• Authors of publication: Luke A. Burke; Grazia Gonella; Fenton Heirtzler; Hai-Lung Dai; Stephanie Jones; Jon Zubieta; Alex J. Roche
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1000
• a: 9.4377 ± 0.0016 Å
• b: 15.912 ± 0.003 Å
• c: 20.94 ± 0.003 Å
• α: 72.94 ± 0.004°
• β: 82.84 ± 0.004°
• γ: 78.612 ± 0.004°
• Cell volume: 2939.6 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No