Information card for entry 7017113

Structure parameters

• Formula: C66 H110 Mn6 N12 O32
• Calculated formula: C66 H110 Mn6 N12 O32
• Title of publication: A new oxime ligand in manganese chemistry: a [Mn(8)] and a [Mn(6)] cage from the use of 2-dihydroxy-2-phenylacetamidine.
• Authors of publication: Flamourakis, Andreas G.; Tzimopoulos, Demetrios; Siczek, Milosz; Lis, Tadeusz; O'Brien, James R; Akrivos, Pericles D.; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11371 - 11373
• a: 11.514 ± 0.003 Å
• b: 11.767 ± 0.004 Å
• c: 17.73 ± 0.006 Å
• α: 95.8 ± 0.05°
• β: 105.73 ± 0.05°
• γ: 99.28 ± 0.05°
• Cell volume: 2255.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No