Information card for entry 7002291

Structure parameters

• Formula: C45 H66 Eu2 N16 O26
• Calculated formula: C45 H66 Eu2 N16 O26
• SMILES: CCN(CC)C1c2cccc3[n]2[Eu]245([n]6c3n(CC)c3ccc(cc63)Cc3ccc6n(c7[n](c6c3)[Eu]3689([n]%10c(C(N(CC)CC)=[O]3)cccc7%10)(ON(=[O]9)=O)([O]=N(=O)O6)([O]=N(=O)O8)[OH2])CC)([O]=1)(ON(=[O]2)=O)([O]=N(=O)O4)(ON(=[O]5)=O)[OH2].N#CCC.O.O.C(#N)CC.O.O
• Title of publication: In search for tuneable intramolecular intermetallic interactions in polynuclear lanthanide complexes
• Authors of publication: Dalla Favera, Natalia; Guénée, Laure; Bernardinelli, Gérald; Piguet, Claude
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7625 - 7638
• a: 33.2594 ± 0.0016 Å
• b: 11.3096 ± 0.0007 Å
• c: 18.1293 ± 0.0008 Å
• α: 90°
• β: 116.89 ± 0.005°
• γ: 90°
• Cell volume: 6082 ± 0.6 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No