Information card for entry 4338213

Structure parameters

• Formula: C66 H96 Cl4 N12 O42 Tb6
• Calculated formula: C66 H96 Cl4 N12 O42 Tb6
• SMILES: C1c2cccc3C4=N[N]5[Tb]6789%10%11([n]%12c(C[OH]7)cccc%12C7=N[N]%12=Cc%13cccc(OC)c%13O[Tb]%13%14%12([O]%12Cc%15cccc%16C%17=N[N]%18=Cc%19cccc%20[O]([Tb]%21%22%23%24%25([N](=Cc%26c(O%22)c(OC)ccc%26)N=C%22[O]%24[Tb]%24%26%27%18([n]%18c(C[OH]%24)cccc%22%18)([O]%17[Tb]%17%12([n]%15%16)([O]%10%14)([OH2])([OH2])[O]%27[Tb]([n]23)([O]1%21)([O]46)([OH2])([O]%25%26)([OH2])[O]%11%17)([O]%23c%19%20)[OH]C)[OH2])C)([O]8c1c(C=5)cccc1[O]%13C)([O]97)[OH2])[OH]C.CO.CO.[Cl-].[Cl-].O.O.O.O.O.CO.CO.[Cl-].[Cl-].O.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: 12.063 ± 0.005 Å
• b: 12.876 ± 0.005 Å
• c: 16.83 ± 0.005 Å
• α: 67.649 ± 0.005°
• β: 87.699 ± 0.005°
• γ: 76.692 ± 0.005°
• Cell volume: 2349.5 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No