Information card for entry 7122486

Structure parameters

• Common name: ST02B
• Formula: C52 H16 B Cu F16 N4
• Calculated formula: C52 H16 B Cu F16 N4
• Title of publication: A charge-separated diamondoid metal-organic framework.
• Authors of publication: Thapa, Sheela; Hettiarachchi, Eshani; Dickie, Diane A.; Rubasinghege, Gayan; Qin, Yang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 89
• Pages of publication: 12654 - 12657
• a: 23.5586 ± 0.0007 Å
• b: 23.5586 ± 0.0007 Å
• c: 24.6516 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13681.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No