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85033522139
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3]Cl even in the presence of a large excess of hydrogen chloride.
-
3]Cl even in the presence of a large excess of hydrogen chloride.
-
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55
-
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85033539012
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NOTE
-
In the course of the structural work on this compound we noted a phase transition to a subgroup of the k type (IIb) [T. Hahn (Ed.), International Tables for Crystallography, vol A, Kluwer Academic Publishers, Dordrecht, 1989.] with concomitant doubling of the unit cell volume upon cooling from room temperature to about 200 K, see Section 4. Work on this phase transition is still in progress, and detailed results will be given in a forthcoming publication. The results presented in this article refer to the single-crystal structure determination at 203 K.
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56
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85033539963
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NOTE
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A referee of this paper encouraged us to comment on the statistically significant differences between the two symmetrically independent molecules. Obviously, such differences may be either due to systematic errors not reflected in the estimated standard deviations, or to differences in the crystalline environment [see, e.g. J. Bernstein, in: A. Domenicano, I. Hargitai (Eds.), Accurate Molecular Structures, Oxford University, New York, 1992, pp. 469-497]. The latter are often referred to as 'packing effects': recent results indicate that in the case of metal complexes such packing effects are accompanied by changes in bond angles [T. Wagner, U. Englert, Struct. Chem., in press] and even in bond distances [A. Martin, A.G. Orpen, J. Am. Chem. Soc. 118 (1996) 1464]. Based on data from the Cambridge Structural Database, Martin and Orpen have obtained a standard deviation in the order of magnitude of 0.01 Å for the case of metal-chlorine bonds.
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57
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0004226006
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University of Utrecht, The Netherlands
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59
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85033538299
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-
NOTE
-
The values of the covalent radii of the metals have been calculated by subtracting the Pauling covalent radius of the carbon atom in CO (0.64 Å), of the nitrogen atom involved in a single bond (0.70 Å) and of a halogen atom (F, 0.64 Å; Br, 1.14 Å; 1, 1.33 Å) [L. Pauling, The Nature of the Chemical Bond, 3rd ed., Cornell University Press, Ithaca, New York, 1960, p. 225] from the M-CO, M-N or M-X internuclear separation of the appropriate complexes, respectively.
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85033525103
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-
A complete list of all atomic coordinates, anisotropic displacement parameters, and interatomic distances are available as Supplementary Material and have been deposited with the Fachinformationszentrum Karlsruhe, D-76344, Eggenstein-Leopoldshafen (FRG), depository number CSD-407516.
-
A complete list of all atomic coordinates, anisotropic displacement parameters, and interatomic distances are available as Supplementary Material and have been deposited with the Fachinformationszentrum Karlsruhe, D-76344, Eggenstein-Leopoldshafen (FRG), depository number CSD-407516.
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71
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85033540138
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-3.
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-3.
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