Information card for entry 4305624

Structure parameters

• Formula: C28 H44 Cu2 Gd2 N10 O26
• Calculated formula: C28 H40 Cu2 Gd2 N10 O26
• SMILES: [Cu]1234[O]5[Gd]678([O](c9cccc(C=[N]4[C@@H]4[C@H](CCCC4)[NH2]3)c59)C)([OH]1)([OH2])(ON(=O)=[O]6)(ON(=[O]7)=O)[O](N(=[O]8)=O)[Cu]134[O]5[Gd]678([O](c9cccc(C=[N]4[C@H]4[C@@H](CCCC4)[NH2]3)c59)C)([OH]1)([OH2])(ON(=O)=[O]6)(ON(=[O]7)=O)[O]2N(=[O]8)=O
• 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: 7.942 ± 0.001 Å
• b: 11.8453 ± 0.0016 Å
• c: 13.2253 ± 0.0015 Å
• α: 106.596 ± 0.015°
• β: 106.306 ± 0.013°
• γ: 99.418 ± 0.015°
• Cell volume: 1103.4 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No