Information card for entry 7114171

Structure parameters

• Chemical name: Iron(II)bisdimethylforamide Iron(II)tetracyanodicarbonyl monohydrate ?
• Formula: C12 H16 Fe2 N6 O5
• Calculated formula: C12 H14 Fe2 N6 O5
• Title of publication: Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation
• Authors of publication: Jiang, Jianfeng; Koch, Stephen A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1724
• a: 13.4721 ± 0.001 Å
• b: 7.4905 ± 0.0006 Å
• c: 19.563 ± 0.0015 Å
• α: 90°
• β: 97.754 ± 0.002°
• γ: 90°
• Cell volume: 1956.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No