Information card for entry 1548304

Structure parameters

• Formula: C162 H154 B2 F48 Pd5
• Calculated formula: C162 H154 B2 F48 Pd5
• Title of publication: Multinuclear metal-binding ability of a carotene
• Authors of publication: Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6742
• a: 17.1352 ± 0.0006 Å
• b: 20.7763 ± 0.0007 Å
• c: 23.2367 ± 0.0009 Å
• α: 104.581 ± 0.0008°
• β: 90.8059 ± 0.0008°
• γ: 105.76 ± 0.0007°
• Cell volume: 7674.7 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No