Information card for entry 7005751

Structure parameters

• Formula: C40 H31 As Fe N7
• Calculated formula: C40 H28 As Fe N7
• SMILES: C(#N)[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• Title of publication: 4,2-Ribbon like ferromagnetic cyano-bridged Fe(III)2Ni(II) chains: a magneto-structural study.
• Authors of publication: Toma, Luminita Marilena; Lescouëzec, Rodrigue; Uriel, Santiago; Llusar, Rosa; Ruiz-Pérez, Catalina; Vaissermann, Jacqueline; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3690 - 3698
• a: 14.65 ± 0.005 Å
• b: 15.525 ± 0.003 Å
• c: 16.489 ± 0.005 Å
• α: 90°
• β: 108.71 ± 0.02°
• γ: 90°
• Cell volume: 3552.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No