Information card for entry 7103793

Structure parameters

• Formula: C74 H100 Cu2 N4 O5.5
• Calculated formula: C74 H100 Cu2 N4 O5.5
• 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: 15.2345 ± 0.0012 Å
• b: 18.903 ± 0.002 Å
• c: 24.84 ± 0.003 Å
• α: 90°
• β: 90.51 ± 0.02°
• γ: 90°
• Cell volume: 7153.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No