Information card for entry 1518909

Structure parameters

• Formula: C31 H32 N3 O8 Zn
• Calculated formula: C31.04 H32.08 N3 O8 Zn
• Title of publication: Synthesis of chiral porous coordination polymer that shows structural transformation induced by guest molecules
• Authors of publication: Takashi Kitao; Yuta Tokunaga; Daiki Umeyama; Cho Rong Kim; Takashi Uemura; Susumu Kitagawa
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 221 - 225
• a: 21.441 ± 0.005 Å
• b: 21.441 ± 0.005 Å
• c: 9.655 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4438.6 ± 1.7 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.509
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No