Information card for entry 4338212

Structure parameters

• Formula: C66 H98 Cl4 Dy6 N12 O40
• Calculated formula: C66 H98 Cl4 Dy6 N12 O40
• SMILES: C1c2[n]3c(C4=N[N]5=Cc6cccc7[O](C)[Dy]89%10%11%12([O](c67)[Dy]67%13%145([O]4[Dy]45%153([O]1[Dy]13%16%17%18([N](N=C%19[O]1[Dy]1%20%21%22([n]%23c(C[OH]1)cccc%19%23)([OH]4%17)([N](=Cc1cccc([O]%16C)c1[O]%18%20)N=C1c4cccc%17C[O]9[Dy]([OH]65)([n]4%17)([O]%221)([OH]%12%13)([OH2])([OH2])[OH]%15%21)[OH]C)=Cc1c(O3)c(OC)ccc1)[OH2])([OH2])[OH2])([OH]C)[n]1c(C[OH]7)cccc1C(=N[N]8=Cc1cccc(OC)c1O%11)[O]%10%14)[OH2])ccc2.CO.[Cl-].[Cl-].OC.O.O.O.O.CO.CO.[Cl-].[Cl-].O.O.O.O
• Title of publication: Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes.
• Authors of publication: Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5020 - 5028
• a: 12.042 ± 0.005 Å
• b: 12.905 ± 0.005 Å
• c: 16.891 ± 0.005 Å
• α: 68.012 ± 0.005°
• β: 88.667 ± 0.005°
• γ: 76.685 ± 0.005°
• Cell volume: 2362.8 ± 1.5 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: 0.1127
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No