Information card for entry 4518405

Structure parameters

• Formula: C18 H10 N2 Ni O4
• Calculated formula: C18 H10 N2 Ni O4
• Title of publication: Multiple Functions of Gas Separation and Vapor Adsorption in a New MOF with Open Tubular Channels.
• Authors of publication: Li, Yong-Zhi; Wang, Gang-Ding; Ma, Li-Na; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 4102 - 4109
• a: 22.9846 ± 0.0009 Å
• b: 22.9846 ± 0.0009 Å
• c: 23.4908 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12410 ± 0.9 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No