Information card for entry 4342152

Structure parameters

• Formula: C52 H60.22 B2 Fe2 Li2 O2 P2
• Calculated formula: C52 H60.224 B2 Fe2 Li2 O2 P2
• Title of publication: Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).
• Authors of publication: Abubekerov, Mark; Diaconescu, Paula L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1778 - 1784
• a: 14.8935 ± 0.0014 Å
• b: 12.4167 ± 0.0011 Å
• c: 25.542 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4723.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No