Information card for entry 4348808

Structure parameters

• Formula: C27 H32 Gd N10 Ni O10 W
• Calculated formula: C27 H20 Gd N10 Ni O10 W
• Title of publication: Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni^II-Ln^III-W^V Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.
• Authors of publication: Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12158 - 12171
• a: 8.9103 ± 0.0003 Å
• b: 13.9215 ± 0.0005 Å
• c: 27.273 ± 0.001 Å
• α: 90°
• β: 93.553 ± 0.004°
• γ: 90°
• Cell volume: 3376.6 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No