Information card for entry 7041066

Structure parameters

• Formula: C100 H144 Cu5 Mn10 N12 O60
• Calculated formula: C100 H144 Cu5 Mn10 N12 O60
• Title of publication: Rational serendipity: "undirected" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.
• Authors of publication: Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18094 - 18097
• a: 27.5814 ± 0.0006 Å
• b: 27.5814 ± 0.0006 Å
• c: 18.4546 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14039 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No