Information card for entry 7131500

Structure parameters

• Formula: C84 H96 Cl2 N9 O20 Zr6
• Calculated formula: C84 H96 Cl2 N9 O20 Zr6
• Title of publication: Creation of single molecular conjugates of metal-organic cages and DNA.
• Authors of publication: Nakajo, Toshinobu; Kusaka, Shinpei; Hiraoka, Haruka; Nomura, Kohei; Matsubara, Noriaki; Baba, Rintaro; Yoshida, Yuki; Nakamoto, Kosuke; Honma, Masakazu; Iguchi, Hiroaki; Uchihashi, Takayuki; Abe, Hiroshi; Matsuda, Ryotaro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 33
• Pages of publication: 4974 - 4977
• a: 18.984 ± 0.001 Å
• b: 18.984 ± 0.001 Å
• c: 51.415 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16047.1 ± 1.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1963
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No