Information card for entry 1546102

Structure parameters

• Common name: 2_CID
• Chemical name: Zn(P-ip)(bipy)_CID
• Formula: C21 H18 N2 O5 Zn
• Calculated formula: C21 H18 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: 9.9902 ± 0.0004 Å
• b: 11.4259 ± 0.0004 Å
• c: 12.1064 ± 0.0005 Å
• α: 109.285 ± 0.003°
• β: 108.208 ± 0.004°
• γ: 97.69 ± 0.003°
• Cell volume: 1194.98 ± 0.1 ų
• Cell temperature: 106.3 ± 0.5 K
• Ambient diffraction temperature: 106.3 ± 0.5 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: 0.0332
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No