Information card for entry 7035656

Structure parameters

• Formula: C29 H35 Cu N11 O10 Tb W
• Calculated formula: C29 H23 Cu N11 O10 Tb W
• SMILES: C[O]1c2cccc3C=[N]4[C@H](C[N]5=Cc6cccc7c6[O]6[Cu]45[O](c23)[Tb]16([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N)([OH2])([OH2])([O]7C)([OH2])[OH2])C.C(#N)C.O.O
• Title of publication: Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.
• Authors of publication: Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16713 - 16727
• a: 9.1488 ± 0.0018 Å
• b: 20.356 ± 0.004 Å
• c: 10.386 ± 0.002 Å
• α: 90°
• β: 96.69 ± 0.03°
• γ: 90°
• Cell volume: 1921 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No