Information card for entry 7063032

Structure parameters

• Formula: C48 H59 Cl14 Fe P Rh Sb
• Calculated formula: C48 H59 Cl14 Fe P Rh Sb
• SMILES: [Rh]12345(Cl)([Sb]([c]67[cH]8[Fe]9%10%11%12%13%146([cH]7[cH]9[cH]8%10)[c]6([P]1(C1CCCCC1)C1CCCCC1)[cH]%11[cH]%12[cH]%13[cH]%146)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 11.6734 ± 0.0005 Å
• b: 18.3247 ± 0.0007 Å
• c: 27.4302 ± 0.0012 Å
• α: 90°
• β: 100.167 ± 0.001°
• γ: 90°
• Cell volume: 5775.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No