Information card for entry 7035015

Structure parameters

• Formula: C18 H14 Mn N4 O9
• Calculated formula: C18 H14 Mn N4 O9
• Title of publication: Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.
• Authors of publication: Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9795 - 9804
• a: 8.889 ± 0.005 Å
• b: 7.407 ± 0.005 Å
• c: 30.467 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No