Information card for entry 4345769

Structure parameters

• Formula: C50 H42 Mn4 N10 O26 Tb2
• Calculated formula: C50 H42 Mn4 N10 O26 Tb2
• SMILES: [n]12ccccc2C23[O]4[Mn]5678[O]9[Tb]%1014([n]1c(cccc1)C19c4cccc[n]4[Mn]49([O]5[Mn]5%11%128[O]8C(O9)(c9[n]4cccc9)c4[n](cccc4)[Tb]498([n]8c(C%13(c%14cccc[n]%14[Mn]([n]%14ccccc3%14)(O2)(O%13)([OH2])[O]75)[O]%114)cccc8)([OH2])([OH2])(ON(=[O]9)=O)[O]=C(CC)O%12)(O1)[OH2])([OH2])([OH2])(ON(=[O]%10)=O)[O]=C(CC)O6
• 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: 37.293 ± 0.005 Å
• b: 37.293 ± 0.005 Å
• c: 24.475 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 29479 ± 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: 0.1285
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No