Information card for entry 1508188

Structure parameters

• Formula: C552 H408 N90 O92 Pd18
• Calculated formula: C552 H408 N90 O92 Pd18
• SMILES: [Pd]123[n]4ccc(cc4)c4cc5cc(c4)c4cc[n]([Pd]67[n]8ccc(cc8)c8cc9cc(c8)c8cc[n]([Pd]%10%11[n]%12ccc(cc%12)c%12cc%13cc(c%12)c%12cc[n]([Pd]%14([n]%15ccc(cc%15)c%15cc(cc(c%15)c%15cc[n]2cc%15)C(=O)OCc2cc[n]([Pd]([n]%15ccc(COC5=O)cc%15)([n]5ccc(COC%13=O)cc5)[n]5ccc(COC9=O)cc5)cc2)[n]2ccc(cc2)c2cc5cc(c2)c2cc[n]([Pd]9%13[n]%15ccc(cc%15)c%15cc(cc(c%15)c%15cc[n]%11cc%15)C(=O)OCc%11cc[n]([Pd]%15%16[n]%17ccc(COC(=O)c%18cc%19c%20cc[n]([Pd]%21([n]%22ccc(cc%22)c%22cc(cc(c%22)c%22cc[n]7cc%22)C(=O)OCc7cc[n]([Pd]%22%23[n]%24ccc(COC(=O)c%25cc(c%26cc[n]([Pd]%27%28[n]%29ccc(c%30cc%31cc(c%32cc[n]([Pd]([n]%33ccc(cc%33)c%33cc(cc(c%33)c%33cc[n]%13cc%33)C(=O)OCc%13cc[n]%15cc%13)([n]%13ccc(c%15cc%33cc(c%34cc[n]([Pd]%35%36[n]%37ccc(c%38cc%39cc(c%40cc[n]([Pd]%41([n]%42ccc(cc%42)c%42cc%43cc(c%42)c%42cc[n]([Pd]([n]%44ccc(cc%44)c%44cc(cc(c%44)c%44cc[n]3cc%44)C(=O)OCc3cc[n]([Pd]%44([n]%45ccc(COC(=O)c%46cc(c%47cc[n]([Pd]%48([n]%49ccc(cc%49)c%49cc(cc(c%49)c%49cc[n]%14cc%49)C(=O)OCc%14cc[n]([Pd]([n]%49ccc(COC(=O)c%50cc(c%51cc[n]%35cc%51)cc(c%50)c%35cc[n]%48cc%35)cc%49)([n]%35ccc(COC5=O)cc%35)[n]5ccc(COC(=O)c%35cc(c%48cc[n]9cc%48)cc(c%35)c9cc[n]%36cc9)cc5)cc%14)[n]5ccc(c9cc(cc(c%14cc[n]1cc%14)c9)C(=O)OCc1cc[n]%44cc1)cc5)cc%47)cc(c%46)c1cc[n]%41cc1)cc%45)[n]1ccc(COC%43=O)cc1)cc3)([n]1ccc(cc1)c1cc(cc(c1)c1cc[n]%28cc1)C(=O)OCc1cc[n]%23cc1)[n]1ccc(c3cc(cc(c5cc[n]6cc5)c3)C(=O)OCc3cc[n]%22cc3)cc1)cc%42)[n]1ccc(c3cc(cc(c5cc[n]%27cc5)c3)C(=O)OCc3cc[n]([Pd]([n]5ccc(COC%39=O)cc5)([n]5ccc(COC%31=O)cc5)[n]5ccc(COC%33=O)cc5)cc3)cc1)cc%40)c%38)cc%37)cc%34)c%15)cc%13)[n]1ccc(c(c%18)c%19)cc1)cc%32)c%30)cc%29)cc%26)cc(c%25)c1cc[n]%21cc1)cc%24)cc7)[n]1ccc(c3cc(cc(c5cc[n]%10cc5)c3)C(=O)OCc3cc[n]%16cc3)cc1)cc%20)cc%17)cc%11)cc2)cc%12)cc8)cc4.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core
• Authors of publication: Sun, Qing-Fu; Sato, Sota; Fujita, Makoto
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 330 - 333
• a: 53.334 ± 0.006 Å
• b: 53.334 ± 0.006 Å
• c: 53.334 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 151709 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2761
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No