Information card for entry 4110389

Structure parameters

• Common name: trans-[(n-Bu)4N]2[Fe(II)(CN)4(CO)py]
• Chemical name: bis-tetrabutylammonium trans-iron(II)tetracyanidecarbonylpyradine
• Formula: C42 H77 Fe N7 O
• Calculated formula: C42 H77 Fe N7 O
• Title of publication: Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes
• Authors of publication: Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1416 - 1417
• a: 22.631 ± 0.004 Å
• b: 21.874 ± 0.004 Å
• c: 19.345 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9576 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1442
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No