Information card for entry 4002747

Structure parameters

• Formula: C57 H36 N12 Ni3 O18
• Calculated formula: C57 H33 N12 Ni3 O18
• Title of publication: Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks
• Authors of publication: Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 3899
• a: 16.384 ± 0.003 Å
• b: 28.376 ± 0.006 Å
• c: 13.079 ± 0.003 Å
• α: 90°
• β: 95.57 ± 0.03°
• γ: 90°
• Cell volume: 6052 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.2243
• Residual factor for significantly intense reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.3923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No