Information card for entry 7706968

Structure parameters

• Formula: C22 H26 Co I N3 O2
• Calculated formula: C22 H26 Co I N3 O2
• SMILES: I[Co]12[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: 11.83518 ± 0.00011 Å
• b: 11.45668 ± 0.00012 Å
• c: 16.88113 ± 0.00015 Å
• α: 90°
• β: 102.335 ± 0.0009°
• γ: 90°
• Cell volume: 2236.1 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No