Information card for entry 4336435

Structure parameters

• Formula: C92 H110 Cl6 Dy4 N12 O28
• Calculated formula: C92 H110 Cl6 Dy4 N12 O28
• SMILES: C1c2cccc3C4=N[N]5=Cc6cccc(OC)c6O[Dy]6789%105[N](=Cc5cccc%11[O](C)[Dy]([n]23)([OH]1)([O]46)([O]8c5%11)([O]=C(C(C)(C)C)O9)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)NC(=[O]7)c1nc(C[OH][Dy]234567[N](=Cc8cccc(OC)c8O4)N=C4c8cccc9C[OH][Dy]%11([n]89)([O]34)([O]6c3c(C=[N]2NC(=[O]5)c2nc(C[OH]%10)ccc2)cccc3[O]%11C)([O]=C(C(C)(C)C)O7)(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: 24.962 ± 0.005 Å
• b: 15.241 ± 0.005 Å
• c: 27.609 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 10504 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No