Information card for entry 7000694

Structure parameters

• Formula: C48 H62 Mn4 N8 O16
• Calculated formula: C48 H62 Mn4 N8 O16
• Title of publication: Di-, tetra- and hexanuclear iron(III), manganese(II/III) and copper(II) complexes of Schiff-base ligands derived from 6-substituted-2-formylphenols
• Authors of publication: Lan, Yanhua; Novitchi, Ghenadie; Clérac, Rodolphe; Tang, Jin-Kui; Madhu, N. T.; Hewitt, Ian J.; Anson, Christopher E.; Brooker, Sally; Powell, Annie K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1721 - 1727
• a: 10.4306 ± 0.0009 Å
• b: 10.7571 ± 0.0009 Å
• c: 12.2161 ± 0.001 Å
• α: 104.446 ± 0.002°
• β: 101.777 ± 0.001°
• γ: 92.127 ± 0.002°
• Cell volume: 1293.79 ± 0.19 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: 0.0812
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No