Information card for entry 4310194

Structure parameters

• Formula: C7 H8 Fe0.5 N7 S
• Calculated formula: C7 H8 Fe0.5 N7 S
• Title of publication: Crystal Structure, Magnetic Properties, and 57Fe Mössbauer Spectroscopy of the Two-Dimensional Coordination Polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII= Fe, Co)
• Authors of publication: Yann Garcia; Georges Bravic; Christine Gieck; Daniel Chasseau; Wolfgang Tremel; Philipp Gütlich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9723 - 9730
• a: 12.439 Å
• b: 8.941 Å
• c: 9.321 Å
• α: 90°
• β: 90.88°
• γ: 90°
• Cell volume: 1036.53 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for all reflections: 0.832
• Goodness-of-fit parameter for significantly intense reflections: 0.918
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No