Information card for entry 4338211

Structure parameters

• Formula: C66 H102 Cl4 Gd6 N12 O38
• Calculated formula: C66 H102 Cl4 Gd6 N12 O38
• SMILES: C1c2[n]3c(C4=N[N]5[Gd]6789%10%11([n]%12c(C[OH]7)cccc%12C7=N[N]%12=Cc%13cccc(OC)c%13O[Gd]%13%14%12([O]%12Cc%15cccc%16C%17=N[N]%18=Cc%19cccc%20[O]([Gd]%21%22%23%24%25([N](=Cc%26c(O%22)c(OC)ccc%26)N=C%22[O]%25[Gd]%25%26%27%18([OH]%23[Gd]%183([O]1%21)([O]46)([OH2])([OH]8[Gd]%12([n]%15%16)([O]%17%25)([OH]%11%14)([OH]C)([OH2])[OH]%27%18)[OH]C)([n]1c(C[OH]%26)cccc%221)([O]%24c%19%20)[OH]C)[OH2])C)([O]9c1c(C=5)cccc1[O]%13C)([O]%107)[OH2])[OH]C)ccc2.CO.[Cl-].[Cl-].O.O.O.O.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: 12.065 ± 0.005 Å
• b: 12.88 ± 0.005 Å
• c: 16.967 ± 0.005 Å
• α: 69.631 ± 0.005°
• β: 89.371 ± 0.005°
• γ: 76.267 ± 0.005°
• Cell volume: 2393.7 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No