Information card for entry 4350234

Structure parameters

• Formula: C176 H269 Eu9 N32 Na6 O111 P16
• Calculated formula: C176 H144 Eu9 N32 Na6 O111 P16
• SMILES: [Eu]1234567[O]89P%10([O]%11[Eu]%12%13([OH2])([OH2])([O]%14P%15%16[O]%17%18[Eu]%19%20%21%22%23([O]%24P(=O)([O]1[Na]9%11%14%18[O]%19P(=O)([O]2[Na]129%118([OH2])([OH2])([O]8%14%18[Eu]%19%25%26%27%28%29[O]%30P%31(=O)[O]%32[Eu]%33%34%35%36(OP%37%38=[O][Na]%39%17%24([O]%17[Eu]%24%40([O]=%15)([O]%37%39)(OP(=O)([O]%33[Na]%14%30%32)c%14[n]%34c(ccc%14)c%14[n]%35cc(cc%14)C)([n]%14c(P%17(=O)O%20)cccc%14c%14[n]%24cc(cc%14)C)[n]%14c%38cccc%14c%14[n]%40cc(cc%14)C)[OH2])([n]%14c%31cccc%14c%14[n]%36cc(cc%14)C)[O]=P8([O]%12[Na]8%12%14%18[O]%19P(=O)([O]%15[Eu]%17%18%19%20%24([O]8P(=O)([O]1%25)c1[n]%18c(ccc1)c1[n]%19cc(cc1)C)[O]1%12P([O]%13%14)(=[O][Eu]8%12%13%14%18%19[O](P(=O)(O%17)c%17[n]%13c(ccc%17)c%13[n]%14cc(cc%13)C)[Na]%13%151([O]8P(=[O]%13)(O[Eu]18%13%14([O]=%10)([O]2P(=O)(O%12)c2[n]1c(ccc2)c1[n]8cc(cc1)C)[O]9P(=O)([O]7%11)c1[n]%13c(ccc1)c1[n]%14cc(cc1)C)c1[n]%18c(ccc1)c1[n]%19cc(cc1)C)[OH2])c1[n]%20c(ccc1)c1[n]%24cc(cc1)C)c1[n]%28c(ccc1)c1[n]%29cc(cc1)C)c1[n]%26c(ccc1)c1[n]%27cc(cc1)C)([OH2])[OH2])c1[n]%21c(ccc1)c1[n]%22cc(cc1)C)c1[n]5c(ccc1)c1[n]6cc(cc1)C)[n]1c%16cccc1c1[n]%23cc(cc1)C)([OH2])[OH2])c1[n]3c(ccc1)c1[n]4cc(cc1)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Dual emission from luminescent nonalanthanide clusters.
• Authors of publication: Comby, Steve; Scopelliti, Rosario; Imbert, Daniel; Charbonnière, Loïc; Ziessel, Raymond; Bünzli, Jean-Claude G
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3158 - 3160
• a: 29.602 ± 0.004 Å
• b: 31.335 ± 0.005 Å
• c: 27.502 ± 0.003 Å
• α: 90°
• β: 91.265 ± 0.01°
• γ: 90°
• Cell volume: 25504 ± 6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No