Information card for entry 7063023

Structure parameters

• Formula: C34 H40 Fe O P Sb
• Calculated formula: C34 H40 Fe O P Sb
• SMILES: [Sb]([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1([cH]9[cH]8[cH]7[cH]61)P(=O)(C1CCCCC1)C1CCCCC1)(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: 9.9527 ± 0.0003 Å
• b: 11.5385 ± 0.0003 Å
• c: 14.5599 ± 0.0004 Å
• α: 76.936 ± 0.001°
• β: 73.609 ± 0.001°
• γ: 68.547 ± 0.001°
• Cell volume: 1478.76 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0188
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No