Information card for entry 4338744

Structure parameters

• Formula: C80 H102 Cl Mn2 N10 O31 Tb3
• Calculated formula: C80 H102 Cl Mn2 N10 O31 Tb3
• SMILES: [Tb]1234567[O]8[Mn]9%10(ON(=O)=O)Oc%11ccccc%11[N]%10=Cc%10cc(C)cc(c8%10)C[N]6(CC[O]1[Tb]168%10%11(Oc%12ccccc%12[N]%10=Cc%10cc(C)cc(c%10[O]31)C[N]7(CC[OH]5)CC[O]49)Oc1ccccc1[N]%11=Cc1cc(C)cc3c1[O]6[Tb]145679[O]([Mn]%10%11(Oc%12ccccc%12[N]%11=Cc%11cc(C)cc(c%11[O]4%10)C[N]9(CC[OH]6)CC[O]85)[OH]C)CC[N]7(C3)CC[OH]1)CC[OH]2.Cl(=O)(=O)(=O)[O-].OC.O.OC.OC.O=N(=O)[O-]
• Title of publication: Pentanuclear Heterometallic {Mn(III)2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues.
• Authors of publication: Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6524 - 6533
• a: 14.6942 ± 0.0017 Å
• b: 37.104 ± 0.004 Å
• c: 16.773 ± 0.002 Å
• α: 90°
• β: 90.235 ± 0.003°
• γ: 90°
• Cell volume: 9144.8 ± 1.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No