Information card for entry 7063029

Structure parameters

• Formula: C40 H40 Cl4 Fe O2 P S Sb
• Calculated formula: C40 H40 Cl4 Fe O2 P S Sb
• SMILES: [Fe]12345678([c]9([Sb]%10(Oc%11c(O%10)c(Cl)c(Cl)c(Cl)c%11Cl)(c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)P(=S)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives
• Authors of publication: Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5107 - 5119
• a: 9.6737 ± 0.0003 Å
• b: 14.1012 ± 0.0004 Å
• c: 15.5761 ± 0.0005 Å
• α: 106.502 ± 0.001°
• β: 91.723 ± 0.001°
• γ: 108.829 ± 0.001°
• Cell volume: 1910.78 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No