Information card for entry 4334629

Structure parameters

• Formula: C61 H105 Cl2 Ho2 Mn2 N4 O25
• Calculated formula: C61 H102 Cl2 Ho2 Mn2 N4 O25
• SMILES: [Ho]1234567[O]8[Ho]9%10%11%12%13([O]%14[Mn]%15%16(Oc%17c(OC)cc(C)cc%17C[N]%16(CC%14)CC[OH]%15)(OC(=[O]9)C)[O]%12CC[N]%13(Cc9cc(cc([O]3C)c9[O]4%10)C)CC[OH]%11)[O](C)c3cc(C)cc(c83)C[N]7(CC[O]1[Mn]134(OC(=[O]5)C)Oc5c(OC)cc(C)cc5C[N]4(CC[O]63)CC[OH]1)CC[OH]2.[Cl-].[Cl-].OC.OC.OC.OC.OC
• Title of publication: Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2} (Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues
• Authors of publication: Vadapalli Chandrasekhar; Prasenjit Bag; Manfred Speldrich; Jan van Leusen; Paul Kögerler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5035 - 5044
• a: 15.665 ± 0.005 Å
• b: 32.486 ± 0.005 Å
• c: 15.691 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.6 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7568 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No