Information card for entry 7011485

Structure parameters

• Formula: C19 H25 Lu N6 O12
• Calculated formula: C19 H25 Lu N6 O12
• SMILES: [Lu]1234([n]5ccccc5c5cccc([n]15)c1cccc[n]21)(ON(=O)=[O]3)(ON(=O)=[O]4)([OH]CC)[OH2].N(=O)(=O)[O-].OCC
• 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: 8.862 ± 0.007 Å
• b: 12.26 ± 0.011 Å
• c: 13.482 ± 0.01 Å
• α: 66.13 ± 0.05°
• β: 82.96 ± 0.06°
• γ: 69.99 ± 0.06°
• Cell volume: 1258.4 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No