Information card for entry 1546100

Structure parameters

• Common name: 3
• Chemical name: Zn(A-ip)(bipy)
• Formula: C21 H16 N2 O5 Zn
• Calculated formula: C21 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: 11.3928 ± 0.0003 Å
• b: 15.6359 ± 0.0005 Å
• c: 16.3018 ± 0.0006 Å
• α: 90°
• β: 96.451 ± 0.003°
• γ: 90°
• Cell volume: 2885.56 ± 0.16 ų
• Cell temperature: 102.9 ± 0.3 K
• Ambient diffraction temperature: 102.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No