Information card for entry 4339309

Structure parameters

• Common name: compound 6
• Formula: C34 H44.75 Ho2 N4 Na4 O23.75
• Calculated formula: C34 H33.25 Ho2 N4 Na4 O23.75
• SMILES: C1[N]23CC(=O)O[Ho]45672([N](CC(O4)=O)(CC(O7)=O)Cc2c4c(cc(c2)C)C[N]27CC(=O)O[Ho]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.[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: 16.865 ± 0.003 Å
• b: 17.4715 ± 0.0019 Å
• c: 39.741 ± 0.009 Å
• α: 95.086 ± 0.012°
• β: 99.109 ± 0.011°
• γ: 108.664 ± 0.012°
• Cell volume: 10832 ± 3 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: 0.12
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No