Information card for entry 7701341

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: 8.5478 ± 0.0004 Å
• b: 9.2084 ± 0.0004 Å
• c: 10.0669 ± 0.0005 Å
• α: 114.584 ± 0.004°
• β: 99.527 ± 0.004°
• γ: 98.514 ± 0.004°
• Cell volume: 689.52 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0369
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No