Information card for entry 7209822

Structure parameters

• Formula: C36 H30 Cu F6 N8 O5
• Calculated formula: C36 H30 Cu F6 N8 O5
• SMILES: [Cu]12([n]3n(cc4ccccc34)Cn3[n]1c1c(c3)cccc1)([n]1n(cc3ccccc13)Cn1[n]2c2c(c1)cccc2)OC(=O)C(F)(F)F.FC(F)(F)C(=O)[O-].OCC
• Title of publication: Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands
• Authors of publication: Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 3892
• a: 11.7362 ± 0.0002 Å
• b: 12.7941 ± 0.0003 Å
• c: 13.0346 ± 0.0003 Å
• α: 79.994 ± 0.001°
• β: 85.875 ± 0.001°
• γ: 74.651 ± 0.0009°
• Cell volume: 1857.99 ± 0.07 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: 0.0615
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No