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Table 1 compares some important distances in the
molecules.
Connector Size. The results permit a fairly accurate
extrapolation to estimate connector size. The expected
radius of the pyridine- and bipyridine-containing connectors
is about 14.3 and 18.5 Å, respectively. However,
because of the location of the binding sites, the effective
separation of a metal site from the center of the molecule
is larger in the pyridine-terminated than in the bipyridine-
terminated structure and is 16.9 and 15.0 Å, respectively.
The result is important for the estimation of distances
in potential molecular structures built with the connectors.
For example, the bipyridyl and bipyrimidine units
complex well to mercury atoms15 and we are hoping to
exploit such complexation in molecular construction.
The X-ray structures of the compounds also provide
additional data concerning the use of bicyclo[1.1.1]-
pentane modules in molecular rods. The presently observed
distances between bridgehead carbon atoms (1.87-
1.88 Å) are somewhat longer than the average for all such
distances in the Cambridge database (1.81 Å).14 Of
course, this carbon-carbon bond distance is long when
compared to the “parent module”, [1.1.1]propellane,
where it is only 1.587 Å.53
表1比较了一些重要的距离
分子.
连接器大小.结果相当准确的许可证
推断估计器的大小.预期
半径吡啶和吡啶含有连接器
约14.3和18.5 Å ,分别.但是,
由于位置的结合点,有效地
分离金属网站的中心分子
较大的吡啶终止比联吡啶-
终止结构和16.9和15.0 Å ,分别.
其结果是非常重要的估计距离
在潜在的分子结构,建立与连接器.
例如,联吡啶和bipyrimidine单位
复杂以及汞atoms15和我们希望
利用这种分子络合建设.
X -射线结构的化合物也提供
更多的数据的使用双环[ 1.1.1 ] -
戊烷单元分子棒.目前观察到的
之间的距离桥头碳原子( 1.87 -
1.88 )在某种程度上超过了平均为所有这些
距离在剑桥数据库( 1.81 ) 0.14的
当然,这种碳碳键的距离很长时
相比,“家长模块” ,[ 1.1.1 ] propellane ,
在那里,只有1.587 Å.53