Information card for entry 4102458

Structure parameters

• Formula: C40.18 H40.18 Mn2 N28 O14
• Calculated formula: C40.1756 H40.1756 Mn2 N28 O14
• Title of publication: Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits
• Authors of publication: Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6944 - 6946
• a: 17.302 ± 0.006 Å
• b: 15.691 ± 0.006 Å
• c: 21.597 ± 0.007 Å
• α: 90°
• β: 110.365 ± 0.014°
• γ: 90°
• Cell volume: 5497 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No