Information card for entry 7024678

Structure parameters

• Formula: C30 H62 Gd2 O16
• Calculated formula: C30 H54 Gd2 O16
• SMILES: C1(=[O][Gd]234([O]1[Gd]156([O]4C(=[O]1)CCCC)(OC(=[O]6)CCCC)([O]=C(O5)CCCC)([OH2])[OH2])([O]=C(CCCC)O3)([O]=C(O2)CCCC)([OH2])[OH2])CCCC
• Title of publication: Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(III) complexes.
• Authors of publication: Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 31
• Pages of publication: 7286 - 7293
• a: 8.9894 ± 0.0007 Å
• b: 14.134 ± 0.0006 Å
• c: 17.5045 ± 0.0019 Å
• α: 90°
• β: 100.164 ± 0.008°
• γ: 90°
• Cell volume: 2189.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No