Information card for entry 4347204

Structure parameters

• Formula: C22 H37 N6 Ni O4
• Calculated formula: C22 H37 N6 Ni O4
• Title of publication: Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.
• Authors of publication: Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1920 - 1925
• a: 29.788 ± 0.006 Å
• b: 11.995 ± 0.002 Å
• c: 22.094 ± 0.004 Å
• α: 90°
• β: 114.76 ± 0.03°
• γ: 90°
• Cell volume: 7169 ± 3 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.65002 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No