Information card for entry 7005302

Structure parameters

• Formula: C72 H40 Cl16 Cu4 N16
• Calculated formula: C72 H40 Cl16 Cu4 N16
• SMILES: c12ccc3C=[N](c4cc(cc(c4)Cl)Cl)[Cu]45[n]3[n]1[Cu]1([N](=C2)c2cc(cc(c2)Cl)Cl)[n]2c(ccc3C=[N](c6cc(cc(c6)Cl)Cl)[Cu]6([n]7c(ccc8[n]7[Cu]7([n]9c(ccc(C=[N]5c5cc(cc(c5)Cl)Cl)[n]49)C=[N]7c4cc(cc(c4)Cl)Cl)[N](=C8)c4cc(cc(c4)Cl)Cl)C=[N]6c4cc(cc(c4)Cl)Cl)[n]23)C=[N]1c1cc(cc(c1)Cl)Cl
• 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: 20.4033 ± 0.0007 Å
• b: 13.4597 ± 0.0004 Å
• c: 21.0965 ± 0.0007 Å
• α: 90°
• β: 93.697 ± 0.002°
• γ: 90°
• Cell volume: 5781.5 ± 0.3 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No