Information card for entry 7245000

Structure parameters

• Formula: C17 H16 Cu N4 O12
• Calculated formula: C17 H16 Cu N4 O12
• Title of publication: Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative
• Authors of publication: Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 21
• Pages of publication: 3953 - 3961
• a: 8.0763 ± 0.0004 Å
• b: 13.5075 ± 0.0007 Å
• c: 14.4614 ± 0.0007 Å
• α: 102.125 ± 0.002°
• β: 98.222 ± 0.002°
• γ: 105.058 ± 0.002°
• Cell volume: 1456.47 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No