Information card for entry 7011484

Structure parameters

• Chemical name: Complex 5
• Formula: C15 H17 N6 O12 Yb
• Calculated formula: C15 H17 N6 O12 Yb
• SMILES: [Yb]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)(ON(=O)=[O]3)(ON(=[O]4)=O)([OH2])[OH2].N(=O)(=O)[O-].O
• Title of publication: Structural variety in nitrate complexes of the heavy lanthanides with 2,2':6',2″-terpyridine, and stereoselective replacement of nitrate
• Authors of publication: Ahrens, Birte; Cotton, Simon A.; Feeder, Neil; Noy, Oliver E.; Raithby, Paul R.; Teat, Simon J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 2027
• a: 8.897 ± 0.001 Å
• b: 10.981 ± 0.001 Å
• c: 20.95 ± 0.001 Å
• α: 90°
• β: 92.87 ± 0.01°
• γ: 90°
• Cell volume: 2044.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No