Information card for entry 4001879

Structure parameters

• Formula: C39 H24 N6 Ni3 O18
• Calculated formula: C39 H21 N6 Ni3 O18
• Title of publication: Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties
• Authors of publication: Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1711
• a: 28.773 ± 0.006 Å
• b: 16.615 ± 0.003 Å
• c: 16.794 ± 0.003 Å
• α: 90°
• β: 124.45 ± 0.03°
• γ: 90°
• Cell volume: 6621 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2404
• Residual factor for significantly intense reflections: 0.1554
• Weighted residual factors for significantly intense reflections: 0.354
• Weighted residual factors for all reflections included in the refinement: 0.4137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No