Information card for entry 7112193

Structure parameters

• Formula: C8 H6 Fe N4 S2
• Calculated formula: C8 H6 Fe N4 S2
• Title of publication: Layered structures and nanosheets of pyrimidinethiolate coordination polymers
• Authors of publication: P. J. Beldon; S. Tominaka; P. Singh; T. Saha Dasgupta; E. G. Bithell; A. K. Cheetham
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3955
• a: 7.90952 ± 0.00017 Å
• b: 16.0335 ± 0.0004 Å
• c: 15.9946 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.39 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No