Information card for entry 4339307

Structure parameters

• Common name: compound 4
• Formula: C34 H64 N4 Na2 O32.25 Tb2
• Calculated formula: C34 H34 N4 Na2 O32.25 Tb2
• SMILES: C1[N]23CC(=O)O[Tb]45672([N](CC(O4)=O)(CC(O7)=O)Cc2c4c(cc(c2)C)C[N]27CC(=O)O[Tb]89%107([N](Cc7c(c1cc(c7)C)[O]58)(CC(=O)O%10)CC(O9)=O)([O]64)OC(=O)C2)OC(=O)C3.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O
• Title of publication: Luminescent dinuclear lanthanide complexes of 5-Me-HXTA.
• Authors of publication: Natrajan, Louise S.; Timmins, Phillipa L.; Lunn, Matthew; Heath, Sarah L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10877 - 10886
• a: 16.875 ± 0.001 Å
• b: 17.3103 ± 0.0011 Å
• c: 20.2441 ± 0.0013 Å
• α: 99.182 ± 0.002°
• β: 97.809 ± 0.002°
• γ: 108.543 ± 0.002°
• Cell volume: 5423.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.693 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No