Information card for entry 4338745

Structure parameters

• Formula: C80 H102 Cl Ho3 Mn2 N10 O31
• Calculated formula: C80 H102 Cl Ho3 Mn2 N10 O31
• SMILES: [Ho]1234567[N]8(Cc9cc(cc%10C=[N]%11[Ho]%12%13%14([N](=Cc%15cc(C)cc%16c%15[O]%14[Ho]%14%15%17%18%19%20[N](Cc%21cc(cc%22C=[N]%23[Mn](ON(=O)=O)(Oc%24ccccc%23%24)([O]%15c%21%22)[O]%19CC[N]%14(C%16)CC[OH]%20)C)(CC[O]%12%17)CC[OH]%18)c%12c(O%13)cccc%12)(Oc%12ccccc%11%12)([O]2c9%10)[O]6CC[N]1(Cc1cc(cc2C=[N]6[Mn]([O]3CC8)(Oc3ccccc63)([O]5c12)[OH]C)C)CC[OH]7)C)CC[OH]4.Cl(=O)(=O)(=O)[O-].N(=O)(=O)[O-].OC.OC.OC.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: 14.657 ± 0.005 Å
• b: 37.027 ± 0.005 Å
• c: 16.65 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.307 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9036 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No