Information card for entry 7013688

Structure parameters

• Common name: 2
• Formula: C43 H38 Cu2 Dy F9 N4 O11
• Calculated formula: C43 H38 Cu2 Dy F9 N4 O11
• SMILES: [Dy]1234([O]5[Cu]67([O]1c1ccccc1C=[N]6CCC[N]7=Cc1c5cccc1)[O]=C(O3)C(F)(F)F)([O]1[Cu]53([O]4c4ccccc4C=[N]5CCC[N]3=Cc3c1cccc3)[O]=C(O2)C(F)(F)F)OC(=O)C(F)(F)F.O=C(C)C
• Title of publication: Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate bridges: synthesis, structural and magnetic studies.
• Authors of publication: Novitchi, Ghenadie; Shova, Sergiu; Caneschi, Andrea; Costes, Jean-Pierre; Gdaniec, Maria; Stanica, Nicolae
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1194 - 1200
• a: 18.034 ± 0.004 Å
• b: 11.701 ± 0.002 Å
• c: 22.351 ± 0.004 Å
• α: 90°
• β: 96.13 ± 0.03°
• γ: 90°
• Cell volume: 4689.4 ± 1.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No