Information card for entry 4338743

Structure parameters

• Formula: C82 H110 Cl Dy3 Mn2 N10 O33
• Calculated formula: C82 H110 Cl Dy3 Mn2 N10 O33
• SMILES: [Dy]123456(Oc7ccccc7[N]6=Cc6c7[O]3[Dy]389%10%11%12[OH]CC[N]%11(Cc%11c%13[O]%10[Mn]%10(Oc%14c([N]%10=Cc%13cc(c%11)C)cccc%14)([O]9CC[N]%12(Cc7cc(c6)C)CC[OH]8)ON(=O)=O)CC[O]13)[O]1[Dy]36789%10[OH]CC[N]%10(Cc%10cc(C)cc%11c%10[O]3[Mn]3(Oc%10c([N]3=C%11)cccc%10)([O]8CC[N]9(Cc3c([O]27)c(C=[N]5c2ccccc2O4)cc(C)c3)CC[OH]6)[OH]C)CC1.Cl(=O)(=O)(=O)[O-].O=N(=O)[O-].OC.OC.OC.OC.O.OC
• 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: 14.6979 ± 0.0014 Å
• b: 37.163 ± 0.003 Å
• c: 16.6855 ± 0.0015 Å
• α: 90°
• β: 90.24 ± 0.002°
• γ: 90°
• Cell volume: 9113.8 ± 1.4 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: 0.0646
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No