Information card for entry 1548305

Structure parameters

• Formula: C162 H154 B2 F48 Pd7
• Calculated formula: C162 H154 B2 F48 Pd7
• 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: 17.1345 ± 0.0016 Å
• b: 20.7478 ± 0.0018 Å
• c: 23.226 ± 0.002 Å
• α: 104.412 ± 0.0013°
• β: 90.6725 ± 0.0015°
• γ: 105.167 ± 0.0015°
• Cell volume: 7692.4 ± 1.2 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: 0.1378
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No