Information card for entry 7002660

Structure parameters

• Formula: C60 H103 B Fe O8 P4
• Calculated formula: C60 H102.64 B Fe O8 P4
• Title of publication: Precursors to dinitrogen reduction: structures and reactivity of trans-[Fe(DMeOPrPE)2(η2-H2)H]+ and trans-[Fe(DMeOPrPE)2(N2)H]+
• Authors of publication: Crossland, Justin L.; Young, Douglas M.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9253
• a: 10.8357 ± 0.001 Å
• b: 16.9005 ± 0.0016 Å
• c: 18.2311 ± 0.0017 Å
• α: 90.013 ± 0.002°
• β: 105.896 ± 0.001°
• γ: 103.852 ± 0.002°
• Cell volume: 3109.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No