Information card for entry 7705603

Structure parameters

• Chemical name: Bis([4-Methyl-7-(2-pyrazinyl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole k^2^-N1,N6-k^1^-N2']dichlorideZinc(II)) pentahydrate
• Formula: C32 H48 Cl8 Cu4 N28 O10
• Calculated formula: C32 H48 Cl8 Cu4 N28 O10
• Title of publication: Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.
• Authors of publication: Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14452 - 14462
• a: 10.745 ± 0.002 Å
• b: 11.371 ± 0.003 Å
• c: 12.811 ± 0.002 Å
• α: 71.003 ± 0.012°
• β: 76.242 ± 0.015°
• γ: 73.412 ± 0.016°
• Cell volume: 1400.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No