Information card for entry 7700945

Structure parameters

• Formula: C45 H58 Mn3 N12 O11
• Calculated formula: C45 H58 Mn3 N12 O11
• Title of publication: The effect of the orientation of the Jahn-Teller distortion on the magnetic interactions of trinuclear mixed-valence Mn(ii)/Mn(iii) complexes.
• Authors of publication: Bikas, Rahman; Shahmoradi, Elaheh; Reinoso, Santiago; Emami, Marzieh; Lezama, Luis; Sanchiz, Joaquín; Noshiranzadeh, Nader
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13799 - 13812
• a: 13.1976 ± 0.0003 Å
• b: 27.4846 ± 0.0006 Å
• c: 13.6058 ± 0.0003 Å
• α: 90°
• β: 93.0647 ± 0.0018°
• γ: 90°
• Cell volume: 4928.18 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No