Information card for entry 7239963

Structure parameters

• Formula: C36 H69 Br3 N12 O54 Rh4 S12 Zn4
• Calculated formula: C36 H69 Br3 N12 O54 Rh4 S12 Zn4
• Title of publication: Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms
• Authors of publication: Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 27.838 ± 0.0016 Å
• b: 27.838 ± 0.0016 Å
• c: 28.8132 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19337.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.4248 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No