Information card for entry 7131499

Structure parameters

• Formula: C120 H120 Cl2 N9 O20 Zr6
• Calculated formula: C120 H120 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: 17.7435 ± 0.0007 Å
• b: 17.7435 ± 0.0007 Å
• c: 71.981 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19625.8 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1272
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No