Information card for entry 4349413

Structure parameters

• Chemical name: tris[bis(tert-butylimido)manganese(IV)bis(tert-butylimido)manganese(V) hexafluorophosphate
• Formula: C32 H72 F6 Mn4 N8 P
• Calculated formula: C32.0008 H72.0018 F6 Mn4 N8 P
• Title of publication: Covalent Metal-Metal-Bonded Mn₄ Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism.
• Authors of publication: Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 3733 - 3737
• a: 13.26 ± 0.002 Å
• b: 13.26 ± 0.002 Å
• c: 22.193 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3379.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No