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3, which gives thermodynamic parameters of ΔG‡(298) = 15(2)kcal/mol, ΔH‡ = 11.8(9) kcal/mol, ΔS‡ = -12(3) eu.
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3, which gives thermodynamic parameters of ΔG‡(298) = 15(2)kcal/mol, ΔH‡ = 11.8(9) kcal/mol, ΔS‡ = -12(3) eu.
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85163244800
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Crystal data for 4e·1.5hexane: Fw, 2072.48 (0.27 X 0.20 X 0.10 mm, space group P1, 2, a, 14.35524(17, b, 16.24695(7, c, 19.5725(3) Å, α, 108.9657(8, β, 97.8677(6, γ, 106.1829(6)°, V, 4013.86(8) Å3, Z, 2, calculated density, 1.715 Mg/m3. Data were collected with Rigaku RAXIS RAPID imaging plate area detector with graphite monochromated Mo-Kα radiation at a temperature of 100(2) K to a maximum 2θ value of 63.0°. A total of 240 oscillation images were collected. Of the 99273 reflections that were collected, 26544 were unique Rint, 0.0920, equivalent reflections were merged. The linear absorption coefficient, μ, for Mo-Kα radiation of 3.960 mm-1 was applied, which resulted in transmission factors ranging from 0.4898 to 0.6740. The data were corrected for Lorentz and
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[29] Final R factors, R1 and wR2 are 0.0507 and 0.0825 for 20546 reflections with I> 2.0σ(I), respectively. R1 and wR2 for all data are 0.0771 and 0.0891 for 26544 reflections. The number of parameters was 964. GOF values are 1.045 for I> 2.0σ(I) and 1.045 for all data, respectively.
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85163246038
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Some references of heterometal molecules with dative bond: T. Tanase, H. Toda, K. Kobayashi, Y. Yamamoto, Organometallics 1996, 15, 5272;
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83
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Crystal data for 5c·4C4H8O: Fw, 2257.92 (0.33 X 0.17 X 0.10 mm, triclinic, space group P1, 2, a, 14.5331(4, b, 17.0949(6, c, 21.0655(6) Å, α, 70.6216(8, β, 70.4231(10, γ, 72.5510(10)°, V, 4545.7(2) A3, Z, 2, calculated density, 1.650 Mg/m 3. Data were collected with Rigaku RAXIS RAPID imaging plate area detector with graphite monochromated Mo-Kα radiation at a temperature of 100(2) K to a maximum 2θ value of 61.0°. A total of 270 oscillation images were collected. Of the 80453 reflections that were collected, 27259 were unique Rint, 0.1024, equivalent reflections were merged. The linear absorption coefficient, μ, for Mo-Kα radiation of 3.514mm-1 was applied, which resulted in transmission factors ranging from 0.4844 to 0.7049. The data were corre
-
[29] Final R factors, R11 and wR2 are 0.0645 and 0.1456 for 20608 reflections with I>2.0σ(I), respectively. R1 and wR2 for all data are 0.0926 and 0.1585 for 27259 reflections. The number of parameters was 964. GOF values are 1.028 for I> 2.0σ(I) and 1.028 for all data, respectively. CCDC-620212 and 620213 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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