Information card for entry 7022673

Structure parameters

• Formula: C58 H80 Fe3 N12 O40 S2
• Calculated formula: C58 H68 Fe3 N12 O40 S2
• Title of publication: The odd association of a C(3h) trisamidinium cation and tosylate anion with a series of linear oxalate-bridged trinuclear heterometallic complexes.
• Authors of publication: Maxim, Catalin; Pardo, Emilio; Hosseini, Mir Wais; Ferlay, Sylvie; Train, Cyrille
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4704 - 4713
• a: 8.7415 ± 0.0011 Å
• b: 15.2796 ± 0.0009 Å
• c: 15.5035 ± 0.0016 Å
• α: 112.633 ± 0.009°
• β: 92.38 ± 0.007°
• γ: 94.048 ± 0.009°
• Cell volume: 1901.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No