Information card for entry 1557848

Structure parameters

• Common name: High-Spin cis-Bis(acetonitrile) Tetrakis(triphenylphosphine oxide)iron(II) Triiodide‒Acetonitrile
• Formula: C78 H69 Fe I6 N3 O4 P4
• Calculated formula: C77.9 Fe I6 N3 O4 P4
• Title of publication: Synthesis and Structural Characterisation of High-Spin cis-Bis(acetonitrile) Tetrakis(triphenylphosphine oxide)iron(II) Triiodide‒Acetonitrile(1/1)
• Authors of publication: Ondrejkovicova, Iveta; Melnik, Milan; Smolander, Kimmo; Ahlgren, Markku
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 475 - 481
• a: 14.656 ± 0.003 Å
• b: 15.393 ± 0.004 Å
• c: 21.008 ± 0.004 Å
• α: 78.49 ± 0.02°
• β: 80.07 ± 0.02°
• γ: 63.21 ± 0.01°
• Cell volume: 4127.1 ± 1.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No