Information card for entry 7020506

Structure parameters

• Formula: C60 H56 Cl10 Mn2 N8 O14
• Calculated formula: C60 H56 Cl10 Mn2 N8 O14
• Title of publication: Co-crystallisation of competing structural modes in geometrically constrained Jahn-Teller manganese(iii) complexes.
• Authors of publication: Murray, Caroline; Gildea, Brendan; Müller-Bunz, Helge; Harding, Charles J.; Morgan, Grace G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14487 - 14489
• a: 10.3459 ± 0.0011 Å
• b: 10.6187 ± 0.0011 Å
• c: 17.4583 ± 0.0019 Å
• α: 100.014 ± 0.002°
• β: 96.329 ± 0.002°
• γ: 115.59 ± 0.002°
• Cell volume: 1666 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No