Information card for entry 7205453

Structure parameters

• Formula: C63 H64 N9 O23 Yb3
• Calculated formula: C63 H49 N9 O23 Yb3
• SMILES: [Yb]1234([O]5[Yb]6789%10([O]%11[Yb]%12%13%14(ON(=O)=[O]%12)([O]=N(=O)O%13)(ON(=[O]%14)=O)([O]%10c%10ccccc%10C=[N]7c7ccccc7[N]8=Cc7c%11cccc7)[OH]C)[N](c7c([N]9=Cc8ccccc58)cccc7)=Cc5ccccc5[O]36)([N](=Cc3ccccc3O2)c2ccccc2[N]1=Cc1c(cccc1)O4)[OH]C.CO.O.O.O.O.O
• Title of publication: Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence
• Authors of publication: Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 36
• a: 13.785 ± 0.003 Å
• b: 15.175 ± 0.003 Å
• c: 19.161 ± 0.004 Å
• α: 86.08 ± 0.03°
• β: 71.73 ± 0.03°
• γ: 73.39 ± 0.03°
• Cell volume: 3646.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2273
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No