Information card for entry 7026638

Structure parameters

• Formula: C11 H12 Br2 N2 Ni O S2
• Calculated formula: C11 H12 Br2 N2 Ni O S2
• Title of publication: Metal coordination and in situ S-C bond cleavage of the bis(2-pyridylthio)methane ligand.
• Authors of publication: Belén Lago, Ana; Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10076 - 10087
• a: 10.1669 ± 0.0014 Å
• b: 10.7108 ± 0.0015 Å
• c: 14.823 ± 0.002 Å
• α: 90°
• β: 104.067 ± 0.002°
• γ: 90°
• Cell volume: 1565.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No