Information card for entry 7008282

Structure parameters

• Formula: C19 H24 N4 O3
• Calculated formula: C19 H24 N4 O3
• SMILES: n1c(cc(cc1)C)c1nccc(c1)C(=O)NCCNC(=O)OC(C)(C)C
• Title of publication: Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M=Ru, Re or Os; Ln=Nd, Er or Yb).
• Authors of publication: Pope, Simon J. A.; Coe, Benjamin J.; Faulkner, Stephen; Laye, Rebecca H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1482 - 1490
• a: 5.0564 ± 0.0015 Å
• b: 5.6297 ± 0.0018 Å
• c: 16.199 ± 0.005 Å
• α: 87.396 ± 0.005°
• β: 83.943 ± 0.005°
• γ: 84.685 ± 0.006°
• Cell volume: 456.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No