Information card for entry 4345881

Structure parameters

• Formula: C50 H44 Dy2 Mn4 N10 O26
• Calculated formula: C50 H44 Dy2 Mn4 N10 O26
• SMILES: c12C34[O]5[Mn]6789[O]%10[Mn]%11([n]1cccc2)([n]1c(C2(c%12cccc[n]%12[Dy]%12%13%14%15([n]%16c(cccc%16)C%16%17c%18[n](cccc%18)[Mn]%18([n]%19c(C%20([O]6[Dy]65([n]5c%20cccc5)([n]5c4cccc5)(O)(OC(=[O]8)CC)(ON(=[O]6)=O)[OH2])O%18)cccc%19)([OH2])([O]7[Mn]9%10([O]=C(O%12)CC)([O]%14%16)[O]2%15)O%17)(O)([O]=N(=O)O%13)[OH2])O%11)cccc1)(O3)[OH2]
• Title of publication: Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.
• Authors of publication: Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5657 - 5668
• a: 37.581 ± 0.005 Å
• b: 37.581 ± 0.005 Å
• c: 24.268 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 29683 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No