Information card for entry 4336436

Structure parameters

• Formula: C92 H110 Cl6 N12 O28 Tb4
• Calculated formula: C92 H110 Cl6 N12 O28 Tb4
• SMILES: C1c2cccc3C4=N[N]5=Cc6cccc(OC)c6O[Tb]6789%10%115[N](=Cc5cccc%12[O](C)[Tb]([n]23)([OH]1)([O]46)([O]8c5%12)([O]=C(O9)C(C)(C)C)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)NC(=[O]%10)c1[n]2c(C[OH][Tb]3456892[N](=Cc2cccc(OC)c2O5)N=C2c5cccc%10C[OH][Tb]%12([n]5%10)([O]42)([O]8c2c(C=[N]3NC(=[O]6)c3[n]%11c(C[OH]7)ccc3)cccc2[O]%12C)([O]=C(O9)C(C)(C)C)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue
• Authors of publication: Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11956 - 11965
• a: 25.0177 ± 0.0009 Å
• b: 15.6762 ± 0.0006 Å
• c: 27.819 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10910.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No