Information card for entry 1546103

Structure parameters

• Common name: 1
• Chemical name: Zn(E-ip)(bipy)
• Formula: C20 H16 N2 O5 Zn
• Calculated formula: C20 H16 N2 O5 Zn
• Title of publication: Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks
• Authors of publication: Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 8198 - 8203
• a: 10.0944 ± 0.0003 Å
• b: 10.3898 ± 0.0002 Å
• c: 10.493 ± 0.0003 Å
• α: 65.925 ± 0.002°
• β: 75.649 ± 0.002°
• γ: 76.069 ± 0.002°
• Cell volume: 961.2 ± 0.05 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No