Information card for entry 4312867

Structure parameters

• Formula: C121 H113 Cl12 Mn9 N56 O44.5
• Calculated formula: C121 H113 Cl12 Mn9 N56 O44.5
• Title of publication: Self-Assembled Supramolecular M9(Mn(II), Fe(III), Zn(II)), M5(Fe(III)), and [M3]2(Pb(II)) Complexes: Structural, Magnetic, and Mössbauer Properties
• Authors of publication: Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; David O. Miller; William M. Reiff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 128 - 139
• a: 18.1788 ± 0.0013 Å
• b: 18.8569 ± 0.0014 Å
• c: 25.8712 ± 0.0019 Å
• α: 70.506 ± 0.002°
• β: 86.44 ± 0.001°
• γ: 75.175 ± 0.002°
• Cell volume: 8079.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.121
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No