Information card for entry 7005303

Structure parameters

• Formula: C96 H88 Cu4 F40 N16 O8 P4
• Calculated formula: C96 H88 Cu4 F40 N16 O8 P4
• SMILES: [Cu]123[n]4[n]5[Cu]6([N](=Cc5ccc4C=[N]1c1cc(cc(c1)F)F)c1cc(cc(c1)F)F)[n]1[n]4[Cu]5([n]7[n]8[Cu]9([N](=Cc8ccc7C=[N]5c5cc(cc(c5)F)F)c5cc(cc(c5)F)F)[n]5[n]2c(ccc5C=[N]9c2cc(cc(c2)F)F)C=[N]3c2cc(cc(c2)F)F)[N](=Cc4ccc1C=[N]6c1cc(cc(c1)F)F)c1cc(cc(c1)F)F.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.OC(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• 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: 14.914 ± 0.0018 Å
• b: 15.2869 ± 0.0019 Å
• c: 26.383 ± 0.003 Å
• α: 96.46 ± 0.007°
• β: 97.077 ± 0.007°
• γ: 111.931 ± 0.007°
• Cell volume: 5454.5 ± 1.2 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2404
• Residual factor for significantly intense reflections: 0.1729
• Weighted residual factors for significantly intense reflections: 0.4722
• Weighted residual factors for all reflections included in the refinement: 0.5069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No