Information card for entry 4103228

Structure parameters

• Formula: C240 H204 Cl36 N12 O36 Ru6
• Calculated formula: C240 H204 Cl36 N12 O36 Ru6
• SMILES: [Ru]1234567(OC(=O)c8cc9c(cc8OC)cc(OC)c(c9)C(=O)O[Ru]89%10%11%12(OC(=O)c%13cc%14cc(C(=O)O1)c(OC)cc%14cc%13OC)([n]1ccc(cc1)c1nc%13nc(n1)c1cc[n]([Ru]%14%15%16%17%18%19(OC(=O)c%20cc%21cc(C(=O)O[Ru]%22%23%24%25%26(OC(=O)c%27cc%28c(cc%27OC)cc(OC)c(c%28)C(=O)O%14)([n]%14ccc(c%27nc(nc(n%27)c%27cc[n]2cc%27)c2cc[n]([Ru]%27%28%29%30%31%32(OC(=O)c%33cc%34c(cc%33OC)cc(OC)c(c%34)C(=O)O[Ru]%33%34%35%36%37(OC(=O)c%38cc%39cc(C(=O)O%27)c(OC)cc%39cc%38OC)([n]%27ccc%13cc%27)[c]%13([cH]%33[cH]%34[c]%35([cH]%36[cH]%37%13)C(C)C)C)[c]%13([cH]%28[cH]%29[c]%30([cH]%31[cH]%32%13)C(C)C)C)cc2)cc%14)[c]2([cH]%26[cH]%25[c]%24([cH]%23[cH]%222)C(C)C)C)c(OC)cc%21cc%20OC)[c]2([cH]%19[cH]%18[c]%17([cH]%16[cH]%152)C(C)C)C)cc1)[c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)C(C)C)C)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.c12ccc3ccc4ccc5ccc6ccc(cc1)c1c2c3c4c5c61.c12ccc3ccc4ccc5ccc6ccc(cc1)c1c2c3c4c5c61
• Title of publication: A Coordination Cage with an Adaptable Cavity Size
• Authors of publication: Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14004 - 14005
• a: 28.744 ± 0.009 Å
• b: 32.301 ± 0.009 Å
• c: 31.287 ± 0.008 Å
• α: 90°
• β: 107.183 ± 0.019°
• γ: 90°
• Cell volume: 27752 ± 14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.286
• Residual factor for significantly intense reflections: 0.1637
• Weighted residual factors for significantly intense reflections: 0.3893
• Weighted residual factors for all reflections included in the refinement: 0.4662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.424
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No