Information card for entry 7103792

Structure parameters

• Formula: C102.5 H133 Cl Mn2 N6 O6
• Calculated formula: C102.5 H133 Cl Mn2 N6 O6
• Title of publication: A unique series of dinuclear transition metal‒polyradical complexes with a m-phenylenediamine spacer and their catalytic reactivity
• Authors of publication: Mukherjee, Soumen; Rentschler, Eva; Weyhermüller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1828 - 1829
• a: 25.0716 ± 0.0009 Å
• b: 15.7152 ± 0.0006 Å
• c: 26.2842 ± 0.0012 Å
• α: 90°
• β: 105.43 ± 0.01°
• γ: 90°
• Cell volume: 9982.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.1236
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No