Information card for entry 7034686

Structure parameters

• Formula: C14 H12 Cl3 N7 Zn
• Calculated formula: C14 H12 Cl3 N7 Zn
• SMILES: C1c2cccc[n]2[Zn](Cl)(Cl)[n]2c(CN1c1nnc(nn1)Cl)cccc2
• Title of publication: Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.
• Authors of publication: Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8855 - 8866
• a: 15.7272 ± 0.0011 Å
• b: 15.956 ± 0.006 Å
• c: 7.2702 ± 0.0018 Å
• α: 90°
• β: 97.601 ± 0.014°
• γ: 90°
• Cell volume: 1808.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No