Information card for entry 7011481

Structure parameters

• Chemical name: Complex 2
• Formula: C15 H11 Lu N6 O9
• Calculated formula: C15 H11 Lu N6 O9
• SMILES: [Lu]12345([n]6ccccc6c6[n]1c(ccc6)c1[n]2cccc1)(ON(=[O]3)=O)(ON(=[O]5)=O)ON(=[O]4)=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: 9.0435 ± 0.0004 Å
• b: 16.5688 ± 0.0006 Å
• c: 13.2564 ± 0.0006 Å
• α: 90°
• β: 108.591 ± 0.003°
• γ: 90°
• Cell volume: 1882.69 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No