Information card for entry 7700943

Structure parameters

• Formula: C41 H50 Mn3 N12 O7
• Calculated formula: C41 H50 Mn3 N12 O7
• 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: 14.5962 ± 0.0004 Å
• b: 17.204 ± 0.0004 Å
• c: 17.6348 ± 0.0005 Å
• α: 90°
• β: 109.876 ± 0.003°
• γ: 90°
• Cell volume: 4164.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No