Information card for entry 7015199

Structure parameters

• Formula: C36 H36 F6 N8 O8 S2 Zn
• Calculated formula: C36 H36 F6 N8 O8 S2 Zn
• SMILES: c1cccc2N(Cc3ccccn3)c3[n]([Zn]4([n]12)([n]1ccccc1N(c1cccc[n]41)Cc1ccccn1)([OH]C)[OH]C)cccc3.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• 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: 23.404 ± 0.005 Å
• b: 12.22 ± 0.002 Å
• c: 17.155 ± 0.003 Å
• α: 90°
• β: 123.83 ± 0.03°
• γ: 90°
• Cell volume: 4075.6 ± 1.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No