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-1, R=0.0226 and wR=0.0574 for I 2σ(I), R=0.0269 and wR=0.0600 for all data
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-1, R=0.0226 and wR=0.0574 for I 2σ(I), R=0.0269 and wR=0.0600 for all data.
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39
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0039514452
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2 data using the Siemens SHELXTL program system. All non hydrogen atoms were refined with anisotropic temperature factors. Hydrogen atoms were located in the density map and positions fully refined using isotropic temperature factors. The refinement converged at R=0.0226, wR=0.0574 (for all observed data I 2σ(I)
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2 data using the Siemens SHELXTL program system. All non hydrogen atoms were refined with anisotropic temperature factors. Hydrogen atoms were located in the density map and positions fully refined using isotropic temperature factors. The refinement converged at R=0.0226, wR=0.0574 (for all observed data I 2σ(I).
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40
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0038921973
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According to our experimental findings, the structure of ferrocene carboxylic acid consists of hydrogen bonded acid dimers with d(OO)=2.656 Å, which is in good agreement with Cotton's structure (see ref. [11]a). In addition, we find a weak interaction of between the oxygen of the carboxylate with a C-H bond of the Cp of d(OH)=2.534 Å. This distance is clearly within the sum of the van der Waals radii and indicates a weak interaction
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According to our experimental findings, the structure of ferrocene carboxylic acid consists of hydrogen bonded acid dimers with d(OO)=2.656 Å, which is in good agreement with Cotton's structure (see ref. [11]a). In addition, we find a weak interaction of between the oxygen of the carboxylate with a C-H bond of the Cp of d(OH)=2.534 Å. This distance is clearly within the sum of the van der Waals radii and indicates a weak interaction.
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42
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0040699641
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-1, R=0.0979 and wR=0.2300 for I 2σ(I) (R=0.1474 and wR=0.2724 for all data). Due to the small crystal size only one quarter of all reflections were observed
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-1, R=0.0979 and wR=0.2300 for I 2σ(I) (R=0.1474 and wR=0.2724 for all data). Due to the small crystal size only one quarter of all reflections were observed.
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43
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0040106185
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2 using the Siemens SHELXTL program suite. All non-hydrogen atoms are refined anisotropically. Hydrogen atoms are placed in calculated positions (see supplementary material)
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2 using the Siemens SHELXTL program suite. All non-hydrogen atoms are refined anisotropically. Hydrogen atoms are placed in calculated positions (see supplementary material).
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44
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