Information card for entry 2242348

Structure parameters

• Chemical name: Poly[[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc] dimethylformamide monosolvate]
• Formula: C21 H27 N7 O5 Zn
• Calculated formula: C21 H27 N7 O5 Zn
• Title of publication: Crystal structure of a Zn complex with terephthalate and 1,6-bis(1,2,4-triazol-1-yl)hexane
• Authors of publication: Sukhikh, Taisiya S.; Semitut, Evgeny Yu.; Potapov, Andrei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 6 - 9
• a: 9.7803 ± 0.0006 Å
• b: 10.4481 ± 0.0005 Å
• c: 13.3708 ± 0.0008 Å
• α: 101.438 ± 0.002°
• β: 101.015 ± 0.002°
• γ: 109.073 ± 0.002°
• Cell volume: 1216.41 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0805
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes