Information card for entry 7706508

Structure parameters

• Formula: C96 H198 Mn Mo6 N13 O34
• Calculated formula: C96 H198 Mn Mo6 N13 O34
• Title of publication: Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.
• Authors of publication: Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2350 - 2353
• a: 18.487 ± 0.0001 Å
• b: 19.4071 ± 0.0002 Å
• c: 19.6357 ± 0.0002 Å
• α: 71.688 ± 0.001°
• β: 79.91 ± 0.001°
• γ: 74.264 ± 0.001°
• Cell volume: 6406.17 ± 0.11 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No