Information card for entry 7049803

Structure parameters

• Formula: C76 H101 F9 Gd N22 O9.5 S3
• Calculated formula: C76 H101 F9 Gd N22 O9.5 S3
• Title of publication: Contribution of ¹⁵⁵Gd Mössbauer data to the study of the magnetic interaction in heterodinuclear 3d-Gd (3d = Cu, Ni) coordination complexes.
• Authors of publication: Ayabe, Takanari; Costes, Jean-Pierre; Vendier, Laure; Geist, Andreas; Takeda, Masuo; Takahashi, Masashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6872 - 6878
• a: 13.3369 ± 0.0017 Å
• b: 15.7191 ± 0.0013 Å
• c: 21.9895 ± 0.0019 Å
• α: 97.314 ± 0.007°
• β: 93.293 ± 0.009°
• γ: 100.392 ± 0.009°
• Cell volume: 4482.2 ± 0.8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.1054
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No