Information card for entry 4338742

Structure parameters

• Formula: C82 H110 Cl Gd3 Mn2 N10 O33
• Calculated formula: C82 H110 Cl Gd3 Mn2 N10 O33
• SMILES: [Gd]1234567[N]8(Cc9cc(cc%10C=[N]%11[Mn](ON(=O)=O)(Oc%12ccccc%11%12)([O]2c9%10)[O]6CC[N]1(Cc1cc(cc2C=[N]6[Gd]9%10%11([N](=Cc%12cc(C)cc%13c%12[O]%10[Gd]%10%12%14%15%16%17[N](C%13)(CC[OH]%14)CC[O]%12[Mn]%12%13([N](c%14c(O%12)cccc%14)=Cc%12cc(C)cc(c%12[O]%15%13)C[N]%10(CC[O]%11%16)CC[OH]%17)[OH]C)c%10c(O9)cccc%10)([O]3CC8)(Oc3ccccc63)[O]5c12)C)CC[OH]7)C)CC[OH]4.Cl(=O)(=O)(=O)[O-].N(=O)(=O)[O-].OC.OC.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: 14.6947 ± 0.0009 Å
• b: 37.198 ± 0.002 Å
• c: 16.7241 ± 0.0011 Å
• α: 90°
• β: 90.03 ± 0.002°
• γ: 90°
• Cell volume: 9141.6 ± 1 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: 0.0713
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No