Information card for entry 7703724

Structure parameters

• Formula: C100.5 H110 Cl6 Gd Mn6 N6 Na2 O25.5
• Calculated formula: C100.5 H108 Cl6 Gd Mn6 N6 Na2 O25.5
• Title of publication: Na₂MnLn^III clusters with a non-equivalent core: chiral vs. meso isomerism.
• Authors of publication: Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4216 - 4219
• a: 19.4486 ± 0.0006 Å
• b: 19.4486 ± 0.0006 Å
• c: 28.7046 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9402.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No