Information card for entry 7108316

Structure parameters

• Formula: C88 H184 Br16 Gd N5 O18 Re4
• Calculated formula: C88 H180 Br16 Gd N5 O18 Re4
• Title of publication: A heteropentanuclear oxalato-bridged [ReIV4GdIII] complex: synthesis, crystal structure and magnetic properties Attachment c.- Revised_CIF
• Authors of publication: Jose Martinez-Lillo; Laura Canadillas-Delgado; Joan Cano; Francesc Lloret; Miguel Julve; J.Faus
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9242
• a: 18.171 ± 0.004 Å
• b: 27.492 ± 0.006 Å
• c: 27.062 ± 0.005 Å
• α: 90°
• β: 91.63 ± 0.03°
• γ: 90°
• Cell volume: 13514 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No