Information card for entry 4305450

Structure parameters

• Common name: tris[benzoylcyanoximato]iron(II)}, PPh4 salt
• Chemical name: Tetraphenylphosphonium salt of fac{tris[benzoylcyanoximato{Iron(II)]}
• Formula: C51 H35 Fe N6 O6 P
• Calculated formula: C51 H35 Fe N6 O6 P
• SMILES: C1(C(c2ccccc2)=[O][Fe]23(N=1=O)(N(=C(C(c1ccccc1)=[O]2)C#N)=O)N(=C(C(c1ccccc1)=[O]3)C#N)=O)C#N.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of Two Intensely Colored Tris(benzoylcyanoxime)iron(II) Anionic Complexes
• Authors of publication: Travis Owen; Fernande Grandjean; Gary J. Long; Konstantin V. Domasevitch; Nikolay Gerasimchuk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8704 - 8713
• a: 12.2384 ± 0.0007 Å
• b: 26.058 ± 0.0015 Å
• c: 13.9447 ± 0.0008 Å
• α: 90°
• β: 92.634 ± 0.001°
• γ: 90°
• Cell volume: 4442.4 ± 0.4 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No