Information card for entry 2019573

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide)
• Formula: C44 H24 Fe N12
• Calculated formula: C44 H24 Fe N12
• Title of publication: Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate
• Authors of publication: Potočňák, Ivan; Váhovská, Lucia; Herich, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 432 - 436
• a: 9.3618 ± 0.0005 Å
• b: 30.6516 ± 0.0014 Å
• c: 12.5952 ± 0.0008 Å
• α: 90°
• β: 90.683 ± 0.005°
• γ: 90°
• Cell volume: 3614 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0654
• 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: No
• Has Fobs: Yes