Information card for entry 2235387

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)
• Formula: C48 H34 Fe N10 O4
• Calculated formula: C48 H34 Fe N10 O4
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)
• Authors of publication: Cai, Zhan-Mao; Zhan, Shu-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m956
• a: 15.5855 ± 0.0005 Å
• b: 13.0261 ± 0.0004 Å
• c: 21.4979 ± 0.0006 Å
• α: 90°
• β: 109.068 ± 0.001°
• γ: 90°
• Cell volume: 4125 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1124
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes