Information card for entry 4305622

Structure parameters

• Formula: C30 H32 Cl3 Cu2 Gd N6 O8
• Calculated formula: C30 H32 Cl3 Cu2 Gd N6 O8
• SMILES: c1ccc(C=[N]2CC[N]3=Cc4cccc5[O](C)[Gd]6789(O[Cu]23([O]6c45)[Cl][Cu]23([O]7c4c([O]9C)cccc4C=[N]3CC[N]2=Cc2ccc[nH]2)O8)([OH2])[OH2])[nH]1.[Cl-].[Cl-]
• Title of publication: Di- and Triheteronuclear Cu-Gd and Cu-Gd-Cu Complexes with Dissymmetric Double Bridge
• Authors of publication: Fatima Zohra Chiboub Fellah; Jean-Pierre Costes; Françoise Dahan; Carine Duhayon; Ghenadie Novitchi; Jean-Pierre Tuchagues; Laure Vendier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6444 - 6451
• a: 14.76 ± 0.003 Å
• b: 15.749 ± 0.003 Å
• c: 8.2992 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1929.2 ± 0.7 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No