Information card for entry 7123346

Structure parameters

• Formula: C166 H206 N2 Na6 O56 Si6
• Calculated formula: C163.305 H154.357 N1.747 Na6 O58.0395 Si6
• Title of publication: Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry
• Authors of publication: Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.998 ± 0.004 Å
• b: 34.746 ± 0.006 Å
• c: 24.908 ± 0.005 Å
• α: 90°
• β: 101.563 ± 0.003°
• γ: 90°
• Cell volume: 16956 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No