Information card for entry 4329390

Structure parameters

• Formula: C62 H68 Co2 F12 Gd2 N6 O16
• Calculated formula: C62 H68 Co2 F12 Gd2 N6 O16
• SMILES: c12c3c(ccc1)C=[N]1C(C)(C)C[N]4=C5O[Gd]6789([O]%10c%11c(cccc%11)C(O[Gd]%11%12%13([O]3[Co]14([NH]1CCCCC1)[O]%13c1c5cccc1)([O]2C)(OC(=CC(=[O]%11)C(F)(F)F)C(F)(F)F)[O]=C(O%12)C)=[N]1CC([N]2=Cc3c(c(ccc3)[O]7C)[O]6[Co]%1012[NH]1CCCCC1)(C)C)(OC(=CC(=[O]8)C(F)(F)F)C(F)(F)F)[O]=C(O9)C
• Title of publication: Tetranuclear [Co-Gd]2 Complexes: Aiming at a Better Understanding of the 3d-Gd Magnetic Interaction
• Authors of publication: Verónica Gómez; Laure Vendier; Montserrat Corbella; Jean- Pierre Costes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6396 - 6404
• a: 12.7513 ± 0.0002 Å
• b: 15.7355 ± 0.0002 Å
• c: 17.8631 ± 0.0003 Å
• α: 90°
• β: 104.231 ± 0.002°
• γ: 90°
• Cell volume: 3474.21 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No