Information card for entry 7233172

Structure parameters

• Formula: C12 H9 Cl2 N5 Zn
• Calculated formula: C12 H9 Cl2 N5 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: 8.8612 ± 0.0004 Å
• b: 7.1511 ± 0.0003 Å
• c: 11.5516 ± 0.0005 Å
• α: 90°
• β: 95.301 ± 0.004°
• γ: 90°
• Cell volume: 728.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No