Information card for entry 7701342

Structure parameters

• Formula: C34 H22 Cu F12 N4 O6
• Calculated formula: C34 H22 Cu F12 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: 9.0451 ± 0.0004 Å
• b: 10.1886 ± 0.0005 Å
• c: 10.3628 ± 0.0004 Å
• α: 105.03 ± 0.004°
• β: 97.391 ± 0.004°
• γ: 93.535 ± 0.004°
• Cell volume: 910.16 ± 0.07 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: 0.053
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No