Information card for entry 7706146

Structure parameters

• Formula: C19 H15 Fe P3
• Calculated formula: C19 H15 Fe P3
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([p]8[p]7[p]6[c]51c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).
• Authors of publication: Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17252 - 17262
• a: 11.6056 ± 0.001 Å
• b: 7.0005 ± 0.0006 Å
• c: 21.4608 ± 0.0018 Å
• α: 90°
• β: 95.376 ± 0.004°
• γ: 90°
• Cell volume: 1735.9 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No