Information card for entry 7003237

Structure parameters

• Formula: C48 H51 Cl2 F18 N6 Nd O7 Ru
• Calculated formula: C48 H51 Cl2 F18 N6 Nd O7 Ru
• SMILES: [Nd]1234([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([OH2])[n]1ccc[n]2[Ru]3(Cl)(Cl)([n]5ccc(cc5c5[n]3ccc(c5)C(C)(C)C)C(C)(C)C)[n]3c([n]4ccc3)c12.CCCCCCC
• Title of publication: Heteronuclear bipyrimidine-bridged Ru‒Ln and Os‒Ln dyads: low-energy 3MLCT states as energy-donors to Yb(iii) and Nd(iii)
• Authors of publication: Lazarides, Theodore; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Calogero, Giuseppe; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 691 - 698
• a: 13.036 ± 0.003 Å
• b: 14.384 ± 0.003 Å
• c: 16.284 ± 0.003 Å
• α: 75.965 ± 0.004°
• β: 84.187 ± 0.004°
• γ: 84.216 ± 0.004°
• Cell volume: 2937.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No