Information card for entry 7702134

Structure parameters

• Formula: C42 H46 Co N6 Ni2 O24
• Calculated formula: C42 H46 Co N6 Ni2 O24
• Title of publication: Carbon-sulphur cross coupling reactions catalyzed by nickel-based coordination polymers based on metalloligands.
• Authors of publication: Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 15023 - 15031
• a: 27.857 ± 0.002 Å
• b: 27.857 ± 0.002 Å
• c: 10.0365 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6745 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No