Information card for entry 1546101

Structure parameters

• Common name: 2
• Chemical name: Zn(P-ip)(bipy)
• Formula: C21 H18 N2 O5 Zn
• Calculated formula: C21.014 H11.008 N2 O5.004 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: 16.496 ± 0.0007 Å
• b: 15.8918 ± 0.0006 Å
• c: 11.4039 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2989.5 ± 0.2 ų
• Cell temperature: 240 ± 0.14 K
• Ambient diffraction temperature: 240 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No