Information card for entry 7005473

Structure parameters

• Chemical name: Bis-[dinitrosyl-cysteamine-iron(II)] iodide water
• Formula: C4 H18 Fe2 I2 N6 O5 S2
• Calculated formula: C4 H18 Fe2 I2 N6 O5 S2
• Title of publication: Developing iron nitrosyl complexes as NO donor prodrugs.
• Authors of publication: Dillinger, Sandra A. T.; Schmalle, Helmut W.; Fox, Thomas; Berke, Heinz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3562 - 3571
• a: 6.3097 ± 0.0005 Å
• b: 6.8752 ± 0.0005 Å
• c: 24.5366 ± 0.0017 Å
• α: 90.403 ± 0.008°
• β: 93.515 ± 0.008°
• γ: 116.319 ± 0.008°
• Cell volume: 951.58 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No