Information card for entry 1548306

Structure parameters

• Formula: C162 H154 B2 F48 Pd5 Pt3
• Calculated formula: C162 H154 B2 F48 Pd5 Pt3
• SMILES: [Pd]12345[Pd]6789[Pt]%10%11%12%13[Pt]%14%15%16%17%18[Pt]%19%20%21%22[CH]([CH]%16=[CH]%15[C]%14(=[CH]%11[CH]%10=[CH]7[CH]6=[C]3([CH]2=[CH]2[Pd]3671[Pd]1%10%11%14[Pd]%15%16%23%24([C]%25(CCCC(C)(C)[C]%15=%25[CH]%16=[CH]1[C]%10(C)=[CH]23)C)[C]1(CCCC(C)(C)[C]%23=1[CH]%24=[CH]%11[C]%14(C)=[CH]6[CH]7=[CH]4[C]5(C)=[CH]8[CH]9=[CH]%12[CH]%13=[C]%17(C)[CH]%18=[CH]%20[CH]%21=[C]%22(C)/C=C/C1=C(C)CCCC1(C)C)C)C)C)=[C]%19(/C=C/C1=C(C)CCCC1(C)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.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 17.0309 ± 0.0012 Å
• b: 20.8251 ± 0.0015 Å
• c: 23.3934 ± 0.0017 Å
• α: 75.2877 ± 0.0014°
• β: 89.9715 ± 0.0013°
• γ: 74.2761 ± 0.0012°
• Cell volume: 7703.8 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1904
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.257
• Weighted residual factors for all reflections included in the refinement: 0.3241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No