Information card for entry 4334627

Structure parameters

• Formula: C58 H96 Gd2 Mn2 N6 O32
• Calculated formula: C58 H96 Gd2 Mn2 N6 O32
• SMILES: [Gd]1234567[O]8[Mn]9%10(Oc%11c(OC)cc(C)cc%11C[N]%10(CC8)CC[OH]9)(OC(=[O]1)C)[O]4CC[N]7(Cc1cc(cc4[O]([Gd]789%10%11([O]2c14)[O]6c1c([O]5C)cc(C)cc1C[N]%11(CC[O]8[Mn]124(OC(=[O]9)C)Oc5c(OC)cc(C)cc5C[N]4(CC[O]%102)CC[OH]1)CC[OH]7)C)C)CC[OH]3.O=N(=O)[O-].O=N(=O)[O-].OC.O.OC.O.O.O
• 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: 15.268 ± 0.005 Å
• b: 15.808 ± 0.005 Å
• c: 17.965 ± 0.005 Å
• α: 66.994 ± 0.005°
• β: 82.487 ± 0.005°
• γ: 70.931 ± 0.005°
• Cell volume: 3772 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No