Information card for entry 7038774

Structure parameters

• Formula: C26 H32 Cu Gd Mo N10 O11
• Calculated formula: C26 H32 Cu Gd Mo N10 O11
• SMILES: C[O]1c2c3c(C=[N]4CC[N]5=Cc6cccc7c6[O]6[Cu]45[O]3[Gd]16([O]7C)([OH2])([OH2])([OH2])([OH2])[OH2])ccc2.C(#N)[Mo](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O
• Title of publication: A new family of [Cu(II)Ln(III)M(V)] heterotrimetallic complexes (Ln = La, Gd, Tb; M = Mo, W): model systems to probe exchange interactions and single-molecule magnet properties.
• Authors of publication: Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7642 - 7649
• a: 10.0079 ± 0.0002 Å
• b: 26.4378 ± 0.0008 Å
• c: 13.3118 ± 0.0003 Å
• α: 90°
• β: 100.978 ± 0.002°
• γ: 90°
• Cell volume: 3457.67 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No