Information card for entry 7233171

Structure parameters

• Formula: C14 H12 Cl2 N4 Zn
• Calculated formula: C14 H12 Cl2 N4 Zn
• Title of publication: Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles
• Authors of publication: Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 38
• Pages of publication: 22143
• a: 8.0697 ± 0.0014 Å
• b: 8.3754 ± 0.0015 Å
• c: 12.679 ± 0.003 Å
• α: 84.525 ± 0.007°
• β: 78.822 ± 0.006°
• γ: 63.23 ± 0.005°
• Cell volume: 750.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No