Information card for entry 4345560

Structure parameters

• Formula: C12 H11 Cl2 Co N3 S
• Calculated formula: C12 H11 Cl2 Co N3 S
• Title of publication: Magnetic and HFEPR Studies of Exchange Coupling in a Series of μ-Cl Dicobalt Complexes.
• Authors of publication: Liu, Jia-Jia; Jiang, Shang-Da; Neugebauer, Petr; van Slageren, Joris; Lan, Yanhua; Wernsdorfer, Wolfgang; Wang, Bing-Wu; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2417 - 2425
• a: 8.1936 ± 0.0012 Å
• b: 15.7284 ± 0.0008 Å
• c: 14.897 ± 0.002 Å
• α: 90°
• β: 134.32 ± 0.03°
• γ: 90°
• Cell volume: 1373.5 ± 0.8 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No