Information card for entry 2237151

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate
• Formula: C54 H35 Fe N14 O2.5
• Calculated formula: C54 H35 Fe N14 O2.5
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate
• Authors of publication: Setifi, Zouaoui; Setifi, Fatima; Ng, Seik Weng; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m12 - m13
• a: 9.3497 ± 0.0003 Å
• b: 14.1736 ± 0.0004 Å
• c: 18.6086 ± 0.0006 Å
• α: 94.462 ± 0.002°
• β: 96.562 ± 0.001°
• γ: 101.129 ± 0.001°
• Cell volume: 2391.12 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes