Information card for entry 4347206

Structure parameters

• Formula: C44 H74 N12 Ni2 O8
• Calculated formula: C44 H74 N12 Ni2 O8
• 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: 21.82 ± 0.004 Å
• b: 9.186 ± 0.0018 Å
• c: 16.167 ± 0.003 Å
• α: 112.32 ± 0.03°
• β: 101.56 ± 0.03°
• γ: 100.54 ± 0.03°
• Cell volume: 2814.4 ± 1.4 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.79999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No