Information card for entry 1575196

Structure parameters

• Formula: C36 H50 I0 N2 Ni2 O12
• Calculated formula: C36 H50 N2 Ni2 O12
• Title of publication: Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.
• Authors of publication: Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 14919 - 14923
• a: 9.339 ± 0.002 Å
• b: 10.761 ± 0.003 Å
• c: 20.275 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2037.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No