Information card for entry 4301095

Structure parameters

• Formula: C70 H68 Mn2 N4 O12 Rb
• Calculated formula: C70 H68 Mn2 N4 O12 Rb
• SMILES: [Mn]123([n]4c([c]53[c]2(C1(c1ccccc1)c1ccccc1)cccc5)c1[n]([Mn]23(C#[O])(C#[O])(C#[O])C(c5ccccc5)(c5ccccc5)[c]52cccc[c]135)c1c4cccc1)(C#[O])(C#[O])C#[O].[Rb]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• Title of publication: Stable and Highly Persistent Quinoxaline-Centered Metalloorganic Radical Anions: Preparation, Structural, Spectroscopic, and Computational Investigations
• Authors of publication: Sylvie Choua; Jean-Pierre Djukic; Jérôme Dalléry; André Bieber; Richard Welter; Jean-Paul Gisselbrecht; Philippe Turek; Louis Ricard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 149 - 163
• a: 9.94 ± 0.001 Å
• b: 17.573 ± 0.001 Å
• c: 20.179 ± 0.001 Å
• α: 66.025 ± 0.001°
• β: 79.711 ± 0.001°
• γ: 89.103 ± 0.001°
• Cell volume: 3162.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No