Information card for entry 7108883

Structure parameters

• Formula: C87 H153 N17 Ni3 O27
• Calculated formula: C75 H102 N17 Ni3 O12
• Title of publication: An unprecedented dynamic porous metal-organic framework assembled from fivefold interlocked closed nanotubes with selective gas adsorption behaviors
• Authors of publication: Ping Ju; Long Jiang; Tong-Bu Lu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 1820 - 1822
• a: 30.233 ± 0.002 Å
• b: 30.233 ± 0.002 Å
• c: 22.671 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20722 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.18
• Residual factor for significantly intense reflections: 0.1244
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No