Information card for entry 7120920

Structure parameters

• Formula: C48 H104 Cl12 Co6 N6 S12
• Calculated formula: C48 H104 Cl12 Co6 N6 S12
• Title of publication: Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives.
• Authors of publication: Midya, Siba P.; Landge, Vinod G.; Sahoo, Manoj K.; Rana, Jagannath; Balaraman, Ekambaram
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 90 - 93
• a: 29.8732 ± 0.0014 Å
• b: 7.1198 ± 0.0004 Å
• c: 20.6123 ± 0.0011 Å
• α: 90°
• β: 108.276 ± 0.005°
• γ: 90°
• Cell volume: 4162.9 ± 0.4 ų
• Cell temperature: 149.97 ± 0.15 K
• Ambient diffraction temperature: 149.97 ± 0.15 K
• Number of distinct elements: 6
• 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: 0.1246
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No