Information card for entry 7114170

Structure parameters

• Chemical name: Cobalt(II)bisdimethylformamide Iron(II)Tetracyanodicarbonyl monohydrate ?
• Formula: C12 H16 Co Fe N6 O5
• Calculated formula: C12 H15 Co Fe 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: 13.4386 ± 0.0017 Å
• b: 7.4128 ± 0.001 Å
• c: 19.479 ± 0.003 Å
• α: 90°
• β: 97.153 ± 0.003°
• γ: 90°
• Cell volume: 1925.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No