Information card for entry 7706967

Structure parameters

• Formula: C28 H31 Co N3 O2 S
• Calculated formula: C28 H31 Co N3 O2 S
• SMILES: [Co]12(Sc3ccccc3)[N]3[C@H](COC=3C=C3N1C(c1c3cccc1)=CC1OC[C@@H]([N]2=1)C(C)C)C(C)C
• Title of publication: Reactivity of a T-shaped cobalt(I) pincer-complex.
• Authors of publication: Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6802 - 6810
• a: 10.46816 ± 0.00018 Å
• b: 10.86892 ± 0.00015 Å
• c: 11.7321 ± 0.00018 Å
• α: 90°
• β: 91.3805 ± 0.0016°
• γ: 90°
• Cell volume: 1334.46 ± 0.04 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No