Information card for entry 4337860

Structure parameters

• Formula: C78 H100 Dy4 N8 O26
• Calculated formula: C78 H100 Dy4 N8 O26
• SMILES: [Dy]1234567[O]8([Dy]9%10%11%12%13([O]2([Dy]2%14%15%16%17([O]%10([Dy]%10%18%198([O]3%14Cc3[n]%18c(ccc3)C=[N]%19c3ccccc3O%10)([O]=C(O%15)C(C)(C)C)OC(=[O]5)C(C)(C)C)Cc3[n]%16c(ccc3)C=[N]%17c3ccccc3O2)[O]=C(O%11)C(C)(C)C)Cc2[n]%12c(ccc2)C=[N]%13c2ccccc2O9)[O]=C(O4)C(C)(C)C)Cc2[n]6c(ccc2)C=[N]7c2ccccc2O1.OC.OC.O.OC.OC.OC.O.O.OC.O
• Title of publication: Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes.
• Authors of publication: Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3417
• a: 18.644 ± 0.005 Å
• b: 16.89 ± 0.005 Å
• c: 28.125 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.149 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8624 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No