Information card for entry 7708355

Structure parameters

• Formula: C62 H87 Co Mg N8
• Calculated formula: C62 H87 Co Mg N8
• SMILES: [Co]123456([CH]7=[CH]4CC[CH]2=[CH]1CC7)[CH]1=[CH]3CC[CH]6=[CH]5CC1.[Mg]1([N](=C(C=C(N1c1c(cccc1CC)CC)C)C)c1c(cccc1CC)CC)([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1
• 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: 10.8784 ± 0.0004 Å
• b: 16.6782 ± 0.0006 Å
• c: 16.6923 ± 0.0007 Å
• α: 103.677 ± 0.003°
• β: 104.369 ± 0.003°
• γ: 94.547 ± 0.003°
• Cell volume: 2819.8 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No