Information card for entry 7026090

Structure parameters

• Formula: C27.74 H39.48 Cl Mn3 N4 O14
• Calculated formula: C27.74 H38.96 Cl Mn3 N4 O14
• Title of publication: Polynuclear manganese amino acid complexes.
• Authors of publication: Kozoni, Chrysa; Manolopoulou, Efi; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7943 - 7950
• a: 21.429 ± 0.009 Å
• b: 8.344 ± 0.003 Å
• c: 39.58 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7077 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No