Information card for entry 4067123

Structure parameters

• Formula: C52 H77 Fe4 Li O4 P4
• Calculated formula: C52 H77 Fe4 Li O4 P4
• Title of publication: The First-Row Transition Metal Interstitial Hydride Anion [{PhP(CH2)3Fe}4(μ4-H)]
• Authors of publication: Serrano, Cristina Berges; Less, Robert J.; McPartlin, Mary; Naseri, Vesal; Wright, Dominic S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5754
• a: 17.3852 ± 0.0003 Å
• b: 17.3852 ± 0.0003 Å
• c: 8.9337 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2700.17 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No