Information card for entry 7108578

Structure parameters

• Formula: C68 H100 Mn6 N12 O9
• Calculated formula: C68 H100 Mn6 N12 O9
• Title of publication: The redox effect of the [1,2-(NH)2C6H4]^2-^ ligand in the formation of transition metal compounds
• Authors of publication: Francesca A. Stokes; Lars Kloo; Yaokang Lv; Philip J. Harford; Andrew E. H. Wheatley; Dominic S. Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11298
• a: 13.2698 ± 0.0002 Å
• b: 16.7091 ± 0.0003 Å
• c: 16.7888 ± 0.0003 Å
• α: 90°
• β: 101.78 ± 0.001°
• γ: 90°
• Cell volume: 3644.12 ± 0.11 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No