Information card for entry 7014856

Structure parameters

• Formula: C36.25 H56.5 Mn N5 O7.75
• Calculated formula: C34 H52 Mn N5 O7
• Title of publication: Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.
• Authors of publication: Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1855 - 1865
• a: 15.997 ± 0.003 Å
• b: 14.451 ± 0.004 Å
• c: 33.798 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7813 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.621
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No