Information card for entry 7005304

Structure parameters

• Formula: C18 H10 F4 N4
• Calculated formula: C18 H10 F4 N4
• SMILES: n1nc(ccc1/C=N/c1cc(cc(c1)F)F)/C=N/c1cc(cc(c1)F)F
• Title of publication: Pyridazine-bridged copper(I) complexes of bis-bidentate ligands: tetranuclear [2 x 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents.
• Authors of publication: Price, Jason R.; Lan, Yanhua; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1807 - 1820
• a: 12.706 ± 0.002 Å
• b: 5.5894 ± 0.0008 Å
• c: 22.376 ± 0.004 Å
• α: 90°
• β: 102.667 ± 0.009°
• γ: 90°
• Cell volume: 1550.4 ± 0.4 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 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 all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No