Information card for entry 7715178

Structure parameters

• Formula: C94 H79 Dy5 N10 O37
• Calculated formula: C94 H79 Dy5 N10 O37
• SMILES: [Dy]123456([O]=C7[O]8[Dy]9%10%11%12%13%14([O]%15[Dy]%16%17%18%19%20([O]=C(O[Dy]%218([O]=C([O]3%10)c3c(OC)cccc3[N]6=Cc3c(O1)cccc3)([OH]C)(Oc1c(C=[N]%21c3c7c(OC)ccc3)cccc1)([O]%16c1ccccc1C=[N]%20c1c(c(OC)ccc1)C%15=[O]9)[O]%12%18)c1c(OC)cccc1/[NH+]=C/c1c(O%17)cccc1)[O]=N(=O)O%19)([O]=C1[O]%11[Dy]367([O]=C(O2)c2c(OC)cccc2/[NH+]=C/c2c(O3)cccc2)([O]4c2c(cccc2)C=[N]7c2c1c(OC)ccc2)([O]5%13)[O]=N(=O)O6)ON(=[O]%14)=O)[OH]C.N#CC
• Title of publication: Different anion (NO₃^- and OAc^-)-controlled construction of dysprosium clusters with different shapes.
• Authors of publication: Xie, Jia-Nan; Li, Yun-Lan; Wang, Hai-Ling; Xiao, Zi-Xin; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5665 - 5675
• a: 16.3885 ± 0.0003 Å
• b: 16.4444 ± 0.0004 Å
• c: 20.8387 ± 0.0005 Å
• α: 101.263 ± 0.002°
• β: 98.069 ± 0.002°
• γ: 97.087 ± 0.002°
• Cell volume: 5387.2 ± 0.2 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No