Information card for entry 7701340

Structure parameters

• Formula: C24 H24 Cu F6 N4 O6
• Calculated formula: C24 H24 Cu F6 N4 O6
• Title of publication: Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.
• Authors of publication: Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• a: 8.9094 ± 0.0002 Å
• b: 8.9094 ± 0.0002 Å
• c: 33.9781 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.09 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No