Information card for entry 7044505

Structure parameters

• Formula: C68 H158 Cl2 Fe3 Gd2 N50 O9.5
• Calculated formula: C66.5 H154 Cl Fe3 Gd2 N50 O9
• Title of publication: SMM Behaviour and Magnetocaloric Effect in Heterometallic 3d-4f Coordination Clusters with High Azide:Metal Ratios
• Authors of publication: Schmidt, Sebastian; Merkel, Marcel; Kostakis, George E.; Buth, Gernot; Anson, Christopher; Powell, Annie K.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.989 ± 0.002 Å
• b: 17.111 ± 0.002 Å
• c: 22.479 ± 0.003 Å
• α: 68.741 ± 0.002°
• β: 80.57 ± 0.002°
• γ: 63.397 ± 0.002°
• Cell volume: 5445.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.80039 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No