Information card for entry 7063019

Structure parameters

• Formula: C34 H43 B Fe P Sb
• Calculated formula: C34 H43 B Fe P Sb
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Sb](c1ccccc1)c1ccccc1)[c]1([cH]5[cH]6[cH]7[cH]81)[P]([BH3])(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: 7.5644 ± 0.0003 Å
• b: 13.3295 ± 0.0005 Å
• c: 15.4143 ± 0.0006 Å
• α: 100.986 ± 0.001°
• β: 90.313 ± 0.001°
• γ: 92.652 ± 0.001°
• Cell volume: 1523.94 ± 0.1 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: 0.0444
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No