Information card for entry 4077831

Structure parameters

• Common name: (dfepe)2Ir2(u,n1,n3-C4H6)(H)(u-H)
• Formula: C24 H14 F40 Ir2 P4
• Calculated formula: C24 H14 F40 Ir2 P4
• Title of publication: The Fate of a Bimetallic Ethylene Dimerization Catalyst: Synthesis and Structure of (dfepe)2Ir2(μ-η1:η3-C4H6)(μ-H)(H) (dfepe = (C2F5)2PCH2CH2P(C2F5)2)
• Authors of publication: Hoerter, Justin M.; Schnabel, R. Chris; Goodson, Patricia A.; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 5717
• a: 11.5987 ± 0.0014 Å
• b: 12.603 ± 0.002 Å
• c: 15.517 ± 0.002 Å
• α: 67.733 ± 0.008°
• β: 82.646 ± 0.009°
• γ: 86.304 ± 0.01°
• Cell volume: 2081.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1177
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No