Information card for entry 7115637

Structure parameters

• Formula: C49 H52 Cl2 Co N4
• Calculated formula: C49 H52 Cl2 Co N4
• SMILES: c12c(cccc1)N(c1c(cc(cc1C)C)C)[Co]1(N(c3c(cccc3)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)N2c1c(cc(cc1C)C)C.C(Cl)Cl
• Title of publication: (Electro)catalytic C‒C bond formation reaction with a redox-active cobalt complex
• Authors of publication: van der Meer, Margarethe; Rechkemmer, Yvonne; Peremykin, Irina; Hohloch, Stephan; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 76
• Pages of publication: 11104 - 11106
• a: 11.729 ± 0.005 Å
• b: 14.574 ± 0.005 Å
• c: 25.358 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.532 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4314 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No