Information card for entry 7015193

Structure parameters

• Formula: C13 H15 Cl2 N3 Zn
• Calculated formula: C13 H15 Cl2 N3 Zn
• SMILES: [Zn]12(Cl)([N](C)(Cc3[n]1cccc3)Cc1[n]2cccc1)Cl
• 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: 8.5048 ± 0.0001 Å
• b: 13.0128 ± 0.0003 Å
• c: 13.1424 ± 0.0002 Å
• α: 90°
• β: 95.25 ± 0.001°
• γ: 90°
• Cell volume: 1448.38 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No