Information card for entry 4350320

Structure parameters

• Formula: C36 H60 Fe2 K2 N32 Ni2 O8
• Calculated formula: C36 H44 Fe2 K2 N32 Ni2 O8
• Title of publication: Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.
• Authors of publication: Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7722 - 7735
• a: 24.41 ± 0.002 Å
• b: 11.5284 ± 0.001 Å
• c: 41.176 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11587.3 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No