Information card for entry 7102112

Structure parameters

• Formula: C26 H25 Fe P
• Calculated formula: C26 H25 Fe P
• SMILES: C(c1ccccc1)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]23456789[cH]1[cH]6[cH]7[cH]8[cH]19)=Pc1c(cc(cc1C)C)C
• Title of publication: Redox-active iron-containing polymers: synthesis and anionic polymerization of a C-ferrocenyl-substituted phosphaalkene.
• Authors of publication: Noonan, Kevin J T; Patrick, Brian O; Gates, Derek P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3658 - 3660
• a: 8.0754 ± 0.0008 Å
• b: 8.4767 ± 0.0007 Å
• c: 16.3824 ± 0.0016 Å
• α: 101.647 ± 0.003°
• β: 96.033 ± 0.004°
• γ: 96.27 ± 0.004°
• Cell volume: 1082.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No