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crx0510

金虫 (小有名气)

[交流] 【求助】投了篇晶体学报,审稿给提了几个问题,不知道怎么回答,在此请教一下高手

1. This compound crystallizes in a chiral space group but no Flack parameter has been reported
2. In the cif file:
_diffrn_measured_fraction_theta_max    0.964
_diffrn_reflns_theta_full              25.00
Some explanation should be made as to why the measured coverage is less that 0.97.
3. The fcf report indicates that 83 reflections were omitted between theta(min) to theta(max). Some explanation should be provided as to why there reflections were omitted.

5. For 5-coordinate complexes the tau-parameter has been used to indicate where the coordination geometry lies on the continuum between square pyramidal (C4v) and trigonal bipyramidal (D3h). The reference is:
Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 1349-1356.
The calculated values should included in the Abstract as well.
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xiaochong98

木虫 (职业作家)

crx0510(金币+10): 2010-10-17 18:53:49
crx0510(金币+5):谢谢! 2010-10-21 20:30:49
crx0510(金币+5): 2010-10-28 12:44:53
1:手性结构,解释一下为何没作绝对构型,
用的是Mo靶,无法判定绝对构型
2:完整度低,
可能晶体小,数据质量问题,衍射能力问题,晶体结构无序等等。
3:结构静修中为何忽略了83个衍射点,需要解释
可能Fc与Fo差的比较多,从晶体结构中找原因
5:文献问题
自己看吧,解释一下。

楼主的结构不是自己解的吧。
北京人
2楼2010-10-16 09:06:04
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