Information card for entry 7003376

Structure parameters

• Common name: Bis(mu6-benzene-1,3,5-tricarboxylato)-bis(mu4-1,2-bis(1,2,4- triazol-4-yl)ethane)-trizinc(ii) 0.67(H2O)
• Chemical name: Bis(μ6-benzene-1,3,5-tricarboxylato)- bis(μ4-1,2-bis(1,2,4-triazol-4-yl)ethane)-trizinc(II) 0.67(H2O)
• Formula: C24 H14.66 N6 O12.66 Zn3
• Calculated formula: C24 H14.66 N6 O12.66 Zn3
• Title of publication: Mixed-ligand coordination polymers from 1,2-bis(1,2,4-triazol-4-yl)ethane and benzene-1,3,5-tricarboxylate: Trinuclear nickel or zinc secondary building units for three-dimensional networks with crystal-to-crystal transformation upon dehydration
• Authors of publication: Habib, Hesham A.; Sanchiz, Joaquin; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1734 - 1744
• a: 8.5489 ± 0.0003 Å
• b: 8.9997 ± 0.0004 Å
• c: 9.6016 ± 0.0007 Å
• α: 100.89 ± 0.003°
• β: 104.282 ± 0.003°
• γ: 115.281 ± 0.002°
• Cell volume: 609.73 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No