Information card for entry 4513041

Structure parameters

• Formula: C84 H138 Co2 Dy4 N4 O29
• Calculated formula: C84 H138 Co2 Dy4 N4 O29
• SMILES: [Dy]1234567[O]8[Co]9%10%11([O]%12[Dy]%13%14%15%16([O](C)c%17cc(cc(c%12%17)C[N]%10(CC[N]%11(C)C)Cc%10cc(cc([O]1C)c8%10)C)C)([OH]3[Dy]138%10([O]%11[Co]%12%17%18([O]%19[Dy]%20([O](C)c%21cc(C)cc(c%19%21)C[N]%17(CC[N]%18(C)C)Cc%17cc(cc([O]1C)c%11%17)C)([OH]3%12)([OH]28)([OH2]%13)([O]6C(=[O]%20)C(C)(C)C)([O]=C(O7)C(C)(C)C)OC(=O)C(C)(C)C)[O]=C(O%10)C(C)(C)C)([O]=C(O%14)C(C)(C)C)[O]%16C(=[O]%15)C(C)(C)C)([OH]49)OC(=O)C(C)(C)C)[O]=C(O5)C(C)(C)C
• Title of publication: Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism
• Authors of publication: Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3157
• a: 15.711 ± 0.005 Å
• b: 41.655 ± 0.005 Å
• c: 17.212 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.778 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11066 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No