Information card for entry 7026634

Structure parameters

• Formula: C11 H11 I4 N2 S2
• Calculated formula: C11 H11 I4 N2 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: 9.4435 ± 0.0015 Å
• b: 9.6542 ± 0.0016 Å
• c: 11.7607 ± 0.0019 Å
• α: 95.607 ± 0.003°
• β: 100.683 ± 0.003°
• γ: 111.932 ± 0.003°
• Cell volume: 960.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No