Information card for entry 7706845

Structure parameters

• Formula: C66 H86 N2 O14 Y2
• Calculated formula: C66 H86 N2 O14 Y2
• Title of publication: Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.
• Authors of publication: Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4874 - 4879
• a: 13.4348 ± 0.0006 Å
• b: 17.2117 ± 0.0008 Å
• c: 17.8147 ± 0.0007 Å
• α: 101.358 ± 0.003°
• β: 108.77 ± 0.004°
• γ: 112.441 ± 0.004°
• Cell volume: 3355.7 ± 0.3 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190.15 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: 0.0794
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No