Information card for entry 4301915

Structure parameters

• Common name: Manganese dilapacholate
• Chemical name: Bis-(2-hydroxy-3-(3-methyl-2-butenyl)- 1,4-naphtoquinonate)manganese(II)
• Formula: C30 H26 Mn O6
• Calculated formula: C30 H26 Mn O6
• Title of publication: Crystal and Molecular Structure of Manganese(II) Lapacholate, a Novel Polymeric Species Undergoing Temperature-Reversible Metal to Ligand Electron Transfer
• Authors of publication: Francesco Caruso; Miguel A. Martínez; Miriam Rossi; Alexander Goldberg; M. Elizabeth Chacón Villalba; Pedro J. Aymonino
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3529 - 3534
• a: 13.2925 ± 0.0004 Å
• b: 13.2925 ± 0.0004 Å
• c: 14.6653 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.22 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No