Information card for entry 7705599

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'-triaquo-k^1^-N7-pentabromodizincate]Zinc(II)) dihydrate
• Formula: C16 H30 Br12 N14 O8 Zn6
• Calculated formula: C16 H30 Br12 N14 O8 Zn6
• 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: 9.282 ± 0.003 Å
• b: 10.5 ± 0.009 Å
• c: 13.206 ± 0.012 Å
• α: 107.35 ± 0.07°
• β: 90.6 ± 0.06°
• γ: 101.75 ± 0.04°
• Cell volume: 1199.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1301
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No