Information card for entry 7234377

Structure parameters

• Common name: [CuL26a(EtOH)]2CHCl3
• Formula: C30 H32 Cl6 Cu N4 O7
• Calculated formula: C30 H32 Cl6 Cu N4 O7
• SMILES: C1(=C(C=[N]2c3cc4c(cc3[N]3[Cu]2(O1)(OC(=C(C=3)C(=O)OCC)C)[OH]CC)nc1c(cccc1)n4)C(=O)OCC)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change
• Authors of publication: Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7925 - 7935
• a: 8.651 ± 0.001 Å
• b: 11.798 ± 0.002 Å
• c: 18.199 ± 0.003 Å
• α: 71.833 ± 0.011°
• β: 86.734 ± 0.012°
• γ: 88.122 ± 0.012°
• Cell volume: 1761.8 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1779
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.2963
• Weighted residual factors for all reflections included in the refinement: 0.3478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No