Information card for entry 7708356

Structure parameters

• Formula: C28 H45 Co Ni P2
• Calculated formula: C28 H45 Co Ni P2
• SMILES: [Co]123456([Ni]789%10%11([P]2=C(P1C38C(C)(C)C)C(C)(C)C)[c]1([c]%10([c]%11([c]7([c]91C)C)C)C)C)[CH]1=[CH]6CC[CH]5=[CH]4CC1
• 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: 11.6971 ± 0.0001 Å
• b: 13.9203 ± 0.0001 Å
• c: 33.1444 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5396.81 ± 0.07 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No