Information card for entry 7011483

Structure parameters

• Chemical name: Complex 4
• Formula: C17 H17 Lu N6 O10
• Calculated formula: C17 H17 Lu N6 O10
• SMILES: [Lu]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)(ON(=[O]4)=O)(ON(=[O]3)=O)(ON(=O)=O)[OH]CC
• 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: 8.7235 ± 0.0002 Å
• b: 21.9191 ± 0.0003 Å
• c: 11.3386 ± 0.0004 Å
• α: 90°
• β: 91.649 ± 0.002°
• γ: 90°
• Cell volume: 2167.17 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No