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北京石油化工学院2026年研究生招生接收调剂公告
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suntao999999

新虫 (初入文坛)

[求助] 回答Cif编辑问题

本人对晶体外行,照葫芦画瓢投了Acta E,现编辑的意见如下,求好心人帮忙解答
问题是(请帮重点回答2,3,4,6问,请看附件的Cif)
1. Please add a moiety formula.

2. Please add a space group name in Hall notation.

3. Since Fdd2 is a non-centrosymmetric but achiral space group, Friedel pairs should be merged and data corresponding to a Flack parameter should be deleted. The fact that Friedel pairs were merged should be described in the _publ_section_exptl_refinement section.

4. Please add your last res as _iucr_refine_instructions_details section.

5. The reference of Musa et al. should be mentioned in the related literature section.

6. Abstract: Please give a standard deviation for the mean plane.

7. Comment: I could not find short N-H---N or C-Br---H (what kind of hydrogen bond should this be?) distances. There is only an additional short Br---N contact. Please tell me which contacts you mean or delete the corresponding sentence.
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  • 附件 1 : cmj.cif
  • 2012-05-30 11:28:25, 16.26 K

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huahua1216

至尊木虫 (文坛精英)

要重新精修 只有cif 是没用的
2楼2012-05-30 11:34:50
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sdujjt

木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
你的晶体需要重新精修,只是改cif是不能解决问题……
生命像一条大河
3楼2012-05-30 15:01:04
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