Information card for entry 1548303

Structure parameters

• Formula: C152 H146 B2 F48 O2 Pd10
• Calculated formula: C144 H136 B2 F48 Pd10
• SMILES: [Pd]123456[Pd]789%10[Pd]%11%12%13%14[Pd]%15%16%17%18[Pd]%19%20%21%22[Pd]%23%24%25%26[Pd]%27%28%29%30[Pd]%31%32%33%34[Pd]%35%36%37%38[Pd]%39%40%41%42(C([CH]%36=[C]%35([CH]%32=[CH]%31[CH]%28=[C]%27([CH]%24=[CH]%23[CH]%20=[CH]%19[C]%16(=[CH]%15[CH]%12=[CH]%11[C]8(=[CH]7C3[C]32C(C)(C)CCC[C]1=3C)C)C)C)C)[C]1%39=[C]%40(C)CCCC1(C)C)C([CH]%38=[C]%37([CH]%34=[CH]%33[CH]%30=[C]%29([CH]%26=[CH]%25[CH]%22=[CH]%21[C]%18(=[CH]%17[CH]%14=[CH]%13[C]%10(=[CH]9C6[C]15C(C)(C)CCC[C]4=1C)C)C)C)C)[C]1%41=[C]%42(C)CCCC1(C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 19.4381 ± 0.0011 Å
• b: 21.7533 ± 0.0012 Å
• c: 22.0547 ± 0.0013 Å
• α: 86.871 ± 0.001°
• β: 84.951 ± 0.001°
• γ: 66.93 ± 0.001°
• Cell volume: 8544.5 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No