Information card for entry 7206595

Structure parameters

• Formula: C30 H18 N3 Ni3 O13
• Calculated formula: C30 H18 N3 Ni3 O13
• Title of publication: A 9-connected metal‒organic framework with gas adsorption properties
• Authors of publication: Ren, Guojian; Liu, Shuxia; Ma, Fengji; Wei, Feng; Tang, Qun; Yang, Yuan; Liang, Dadong; Li, Shujun; Chen, Yaguang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 40
• Pages of publication: 15909
• a: 21.6623 ± 0.0019 Å
• b: 21.6623 ± 0.0019 Å
• c: 21.6623 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10165.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No