Information card for entry 7022675

Structure parameters

• Formula: C58 H80 Cr2 Mn N12 O40 S2
• Calculated formula: C58 H80 Cr2 Mn 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: 8.7134 ± 0.0002 Å
• b: 15.3318 ± 0.0003 Å
• c: 15.4825 ± 0.0004 Å
• α: 112.481 ± 0.001°
• β: 92.532 ± 0.001°
• γ: 94.823 ± 0.001°
• Cell volume: 1897.84 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No