Information card for entry 4104744

Structure parameters

• Formula: C39 H36 N4 O13 Zn2
• Calculated formula: C33 H20 N2 O10 Zn2
• Title of publication: Porous Coordination Polymer with Pyridinium Cationic Surface, [Zn2(tpa)2(cpb)]
• Authors of publication: Masakazu Higuchi; Daisuke Tanaka; Satoshi Horike; Hirotoshi Sakamoto; Kohei Nakamura; Yohei Takashima; Yuh Hijikata; Nobuhiro Yanai; Jungeun Kim; Kenichi Kato; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10336 - 10337
• a: 21.889 ± 0.005 Å
• b: 10.156 ± 0.005 Å
• c: 34.909 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.715 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7760 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No