Information card for entry 4329391

Structure parameters

• Formula: C68 H96 Co2 Gd2 N4 O20
• Calculated formula: C68 H96 Co2 Gd2 N4 O20
• SMILES: c12ccccc1C1=[N]3CC([N]4=Cc5cccc6[O](C)[Gd]789([O]2[Co]34([O]7c56)OC)([O]=C(C=C(O9)C(C)(C)C)C(C)(C)C)([O]=C(O8)C)OC2c3c(cccc3)[O]3[Co]45([N]=2CC([N]4=Cc2cccc4[O](C)[Gd]673([O]5c24)(O1)([O]=C(C=C(O6)C(C)(C)C)C(C)(C)C)[O]=C(O7)C)(C)C)OC)(C)C.CO.CO
• 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: 14.8669 ± 0.0002 Å
• b: 13.8521 ± 0.0002 Å
• c: 18.595 ± 0.003 Å
• α: 90°
• β: 104.405 ± 0.002°
• γ: 90°
• Cell volume: 3709 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No