Information card for entry 7015194

Structure parameters

• Formula: C17 H16 Cl2 N4 Zn
• Calculated formula: C17 H16 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2CN(Cc2[n]1cccc2)c1ncccc1
• 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: 9.2065 ± 0.0018 Å
• b: 11.23 ± 0.002 Å
• c: 17.138 ± 0.003 Å
• α: 90°
• β: 101.09 ± 0.03°
• γ: 90°
• Cell volume: 1738.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No