Information card for entry 7015195

Structure parameters

• Formula: C19 H18 F6 N4 O7 S2 Zn
• Calculated formula: C19 H18 F6 N4 O7 S2 Zn
• SMILES: [Zn]12([OH2])([N](c3ccccn3)(Cc3cccc[n]13)Cc1cccc[n]21)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.
• Authors of publication: Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 5090 - 5101
• a: 9.4941 ± 0.0001 Å
• b: 10.8919 ± 0.0002 Å
• c: 12.8792 ± 0.0002 Å
• α: 100.878 ± 0.001°
• β: 94.965 ± 0.002°
• γ: 108.341 ± 0.001°
• Cell volume: 1226.14 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No