Information card for entry 7002288

Structure parameters

• Formula: C19 H22 N4 O
• Calculated formula: C19 H22 N4 O
• SMILES: O=C(N(CC)CC)c1nc(ccc1)c1nc2ccccc2n1CC
• Title of publication: In search for tuneable intramolecular intermetallic interactions in polynuclear lanthanide complexes
• Authors of publication: Dalla Favera, Natalia; Guénée, Laure; Bernardinelli, Gérald; Piguet, Claude
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7625 - 7638
• a: 12.5918 ± 0.0011 Å
• b: 11.5723 ± 0.0008 Å
• c: 12.3018 ± 0.0008 Å
• α: 90°
• β: 105.483 ± 0.009°
• γ: 90°
• Cell volume: 1727.5 ± 0.2 ų
• Cell temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No