Information card for entry 7708351

Structure parameters

• Formula: C45 H65 Co Mg N2
• Calculated formula: C45 H65 Co Mg N2
• SMILES: [Co]123456([CH]7=[CH]3CC[CH]4=[CH]2CC7)([CH]2=[CH]5CC[CH]6=[CH]1CC2)[Mg]1[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity
• Authors of publication: Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 19.3913 ± 0.0004 Å
• b: 16.0799 ± 0.0004 Å
• c: 24.4772 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7632.2 ± 0.3 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No