Information card for entry 7709227

Structure parameters

• Formula: C33 Fe N6 O12
• Calculated formula: C33 Fe N6 O12
• Title of publication: Metal-hydrogen-pi-bonded organic frameworks.
• Authors of publication: Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1927 - 1935
• a: 18.2 ± 0.003 Å
• b: 18.2 ± 0.003 Å
• c: 16.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4638.6 ± 1.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.3285
• Residual factor for significantly intense reflections: 0.2092
• Weighted residual factors for significantly intense reflections: 0.4527
• Weighted residual factors for all reflections included in the refinement: 0.5176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No