Information card for entry 4338214

Structure parameters

• Formula: C64 H100 Cl4 Ho6 N12 O40
• Calculated formula: C64 H100 Cl4 Ho6 N12 O40
• SMILES: C1c2cccc3[n]2[Ho]2456([O]1[Ho]1789%10([N](=Cc%11cccc(OC)c%11O1)N=C1[O]9[Ho]9%11%12%13([N](=Cc%14cccc([O]8C)c%14[O]7%11)N=C7c8cccc%11C[O]%14[Ho]%15([n]8%11)([O]97)([O]7[Ho]89%11%16%17([N](=Cc%18cccc%19[O](C)[Ho]%20%21%147([N](N=C([O]%17%20)c7[n]8c(C[OH]%16)ccc7)=Cc7cccc(OC)c7O%21)([O]%11c%18%19)[OH2])N=C3[O]29)([O]5%15)[OH]C)([OH2])([OH2])[O]6%13)([n]2c(C[OH]%12)cccc12)([O]4%10)[OH]C)[OH2])([OH2])[OH2].CO.[Cl-].[Cl-].O.O.O.O.O.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: 12.059 ± 0.005 Å
• b: 12.92 ± 0.005 Å
• c: 16.84 ± 0.005 Å
• α: 68.218 ± 0.005°
• β: 88.492 ± 0.005°
• γ: 76.446 ± 0.005°
• Cell volume: 2363.2 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No