Information card for entry 4342151

Structure parameters

• Formula: C24 H24 B Fe O2 P
• Calculated formula: C24 H24 B Fe O2 P
• SMILES: [Fe]12345678([c]9(B(OC)OC)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1
• 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: 8.7001 ± 0.0007 Å
• b: 16.5868 ± 0.0013 Å
• c: 14.4047 ± 0.0011 Å
• α: 90°
• β: 92.885 ± 0.0013°
• γ: 90°
• Cell volume: 2076.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0612
• 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