Information card for entry 7708357

Structure parameters

• Formula: C41 H57 Co Mg N2
• Calculated formula: C41 H57 Co Mg N2
• SMILES: [Co]123456([CH]7=[CH]5CC[CH]3=[CH]6CC7)([CH]3=[CH]1CC[CH]2=[CH]4CC3)[Mg]1[N](=C(C=C(N1c1c(CC)cccc1CC)C)C)c1c(cccc1CC)CC
• 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: 9.0634 ± 0.0001 Å
• b: 13.9493 ± 0.0002 Å
• c: 27.4651 ± 0.0005 Å
• α: 90°
• β: 92.341 ± 0.002°
• γ: 90°
• Cell volume: 3469.46 ± 0.09 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0328
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No