Information card for entry 4335006

Structure parameters

• Formula: C38 H40 Dy4 N8 O28
• Calculated formula: C38 H40 Dy4 N8 O28
• SMILES: C1c2[n]3c(ccc2)C2=N[N]4=Cc5[n]6c7c(O[Dy]8946([O]2[Dy]23([OH]1)([OH2])([OH2])O[Dy]134([N](=Cc6[n]1c1c(cc6)cccc1O4)N=C1c4cccc%10C[OH][Dy](O8)(O9)([n]4%10)([O]31)([OH2])[OH2])(O2)([OH2])[OH2])([OH2])[OH2])cccc7cc5.CO.O.O.OC.O.CO.CO.O.O.O
• Title of publication: Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior
• Authors of publication: Vadapalli Chandrasekhar; Sakiat Hossain; Sourav Das; Sourav Biswas; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6346 - 6353
• a: 10.552 ± 0.005 Å
• b: 11.547 ± 0.005 Å
• c: 11.927 ± 0.005 Å
• α: 104.585 ± 0.005°
• β: 91.466 ± 0.005°
• γ: 104.431 ± 0.005°
• Cell volume: 1356 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No