Information card for entry 4342651

Structure parameters

• Formula: C16 H14 Cl N O
• Calculated formula: C16 H14 Cl N O
• SMILES: ClCC(=O)c1cc2c3ccccc3n(c2cc1)CC
• Title of publication: Kinetically Stable Lanthanide Complexes Displaying Exceptionally High Quantum Yields upon Long-Wavelength Excitation: Synthesis, Photophysical Properties, and Solution Speciation.
• Authors of publication: Routledge, Jack D.; Jones, Michael W.; Faulkner, Stephen; Tropiano, Manuel
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3337 - 3345
• a: 6.9474 ± 0.0001 Å
• b: 13.2522 ± 0.0002 Å
• c: 14.1927 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1306.7 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No