Information card for entry 7041065

Structure parameters

• Formula: C10 H24 Mn N4 O10
• Calculated formula: C10 H24 Mn N4 O10
• SMILES: [Mn]12345([OH]CC[N]5(CC[N]4(CC[OH]2)CC[OH]3)CC[OH]1)ON(=O)=O.O=N(=O)[O-]
• 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: 13.4 ± 0.0002 Å
• b: 13.881 ± 0.0002 Å
• c: 17.5344 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3261.49 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No