Information card for entry 4316528

Structure parameters

• Formula: C23.33 H46.67 Fe N9 O4.33 S3
• Calculated formula: C23.3333 H46.6667 Fe N9 O4.33333 S3
• Title of publication: Iron Thiobiurets: Single-Source Precursors for Iron Sulfide Thin Films
• Authors of publication: Karthik Ramasamy; Mohammad A. Malik; Madeline Helliwell; Floriana Tuna; Paul O'Brien
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8495 - 8503
• a: 16.978 ± 0.005 Å
• b: 31.18 ± 0.01 Å
• c: 18.16 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9613 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No