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期刊Zeitschriftfür anorganische und allgemeine Chemie (Z. Anorg. Allg. Chem.)/Journal ofInorganic and General Chemistry (ZAAC)中有关晶体数据方面的要求如下: | Crystal Structural Analysis: | 晶体结构分析: | Authors are strongly encouraged to first check the correctness of the X-ray data and the reported structure by using the Checkcif utility on the WWW at http://checkcif.iucr.org. A copy of the output should be submitted as Supporting Information for Review Only. Authors with appropriate software may alternatively use IUCRVAL or the CHECK validation tool in PLATON. | 强烈建议作者首先使用万维网上的Checkcif实用程序检查X射线数据和报告结构的正确性,网址为http://checkcif.iucr.org。输出的副本应作为支持信息提交,仅供审查。拥有适当软件的作者也可以使用IUCRVAL或PLATON中的CHECK验证工具。 |
Prior to manuscript submission, the author(s) must deposit their data or update data already available, so that referees can retrieve the information electronically directly from the database. Guidelines for depositing data can be found on the ZAAC homepage at www.zaac.wiley-vch.de under “For Authors”. | 在提交稿件之前,作者必须保存他们的数据或更新现有的数据,以便审稿人可以直接从数据库中以电子方式检索信息。存放数据的指南可在ZAAC主页www.zaac.wiley-vch.de的“作者指南”下找到。 |
| Crystal Structure Data for publication must contain: empirical formula, unit cell dimensions (a, b, c, in pm or Å, α, β, γ in degrees) all with estimated standard deviations, number (Z) of formula units in unit cell, calculated and/or measured density d, crystal system, space group symbol. | 用于发表的晶体结构数据必须包含:经验分子式、晶胞尺寸(a、b、c,单位为pm或Å,α、β、γ,单位为度)及其估计标准偏差、晶胞中分子式单元的数量(Z)、计算和/或测量的密度d、晶系、空间群符号。 |
| Data collection must contain: type of diffractometer, radiation used, monochromator, size for single crystal, temperature, data collection mode, theta range and reciprocal lattice segments (octants), number of reflections measured, number of symmetry-independent reflections, and σ(I) criterion, linear absorption coefficient, and method of absorption correction if applied. | 数据收集必须包含:衍射仪类型、使用的辐射、单色仪、单晶尺寸、温度、数据收集模式、θ范围和倒易晶格段(八分之一)、测量衍射点数量、对称独立衍射点数量和σ(I)标准、线性吸收系数以及吸收校正方法(如适用)。 |
| Structure analysis and refinement: method of solution, method of refinement, final R and Rw values in decimal numbers, and programs used. Authors are encouraged to have the positional and thermal displacement parameters printed for all atoms, even if they are deposited (H atoms in self-evident positions excepted). It is possible to include these tables as Supporting Information. If displacement ellipsoids are plotted in one figure, the equivalent parameters of isotropic displacement are sufficient. | 结构分析和精修:解析方法、精修方法、小数位数的最终R和Rw值以及使用的程序。鼓励作者打印所有原子的位置和热位移参数,即使它们是放置的(处于不言自明位置的H原子除外)。可以将这些表作为支持信息包括在内。如果将位移椭球绘制在一个图中,则各向同性位移的等效参数就足够了。 |
信源:https://onlinelibrary.wiley.com/page/journal/15213749/homepage/2260_xray.html | Crystallographic Data | 晶体数据 |
| Please note that prior to submitting your manuscript, you must deposit the data of X-ray structure analyses at the Cambridge Crystallographic Data Centre (CCDC) or the Fachinformationszentrum Karlsruhe (FIZ). In general, you will receive a depository number from the database within two working days after electronic deposition. A standard text giving this necessary retrieval data must be included in the manuscript. Referees can then retrieve the information electronically. | 请注意,在提交您的手稿之前,您必须将X射线结构分析数据存放在剑桥晶体学数据中心(CCDC)或卡尔斯鲁厄学院(FIZ)。一般情况下,您将在电子存储后的两个工作日内收到数据库中的存储编号。提供必要检索数据的标准文本必须包含在手稿中。然后,审稿人可以通过电子方式检索信息。 | | The two X-ray databases have the same procedure for the deposition of data. Please deposit the data for your compound(s) at the appropriate database. Both databases will be pleased to provide help. | 这两个X射线数据库具有相同的数据存储程序。请将您的化合物的数据保存在适当的数据库中。两个数据库都很乐意提供帮助。 | | The databases for the deposition of crystal structure data are: | 用于存储晶体结构数据的数据库是: |
| For all compounds without C-H bonds: | 对于所有没有C–H键的化合物: | | Fachinformationszentrum Karlsruhe (FIZ) D-76344 Eggenstein-Leopoldshafen, Germany | | Phone: | +49 7247/808-205 | | Fax: | +49 7247/808-666 | | E-mail: | crysdata@fiz-karlsruhe.de | | FTP: | ftp://ftp.fiz-karlsruhe.de/pub/csd/ | | WWW: | http://www.fiz-karlsruhe.de/ (under "Products", "Other Services", and "Crystal Structure Deposition") | | | |
| For all compounds with at least one C-H bond: | 对于所有至少含一个C–H键的化合物: | | Cambridge Crystallographic Data Centre 12 Union Road, Cambridge CB12 1EZ, UK | | Phone: | +44 1223/336-408 | | Fax: | +44 1223/336-033 | | E-mail: | deposit@ccdc.cam.ac.uk | | WWW: | http://www.ccdc.cam.ac.uk/ | | | |
| The appropriate standard text including the depository number (see below) must be quoted in the manuscript: | 手稿中必须引用适当的标准文本,包括存储编号(见下文): |
Further details of the crystal-structure investigation(s) may be obtained from the Fachinformationzentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen, Germany, on quoting the depository number(s) CSD-... (http://www.fiz-karlsruhe.de/) | |
Crystallographic data (excluding structure factors) for the structure(s) reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-... . Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK [fax.: (internat.) + 44 1223/336-033; e-mail: deposit@ccdc.cam.ac.uk]. | 本文中报道的结构的晶体数据(不包括结构因子)已作为补充出版物CCDC-…存放在剑桥晶体数据中心。可向CCDC(地址:12 Union Road,Cambridge CB2 1EZ,UK)申请免费获得数据副本[传真:(internat.)+44 1223/336-033;电子邮件:deposit@ccdc.cam.ac.uk]. |
Authors are strongly encouraged to first check the correctness of the X-ray data and the reported structure by using the Checkcif utility on the WWW at http://checkcif.iucr.org. A copy of the output should be submitted as Supporting Information for Review Only. Authors with appropriate software may alternatively use IUCRVAL or the CHECK validation tool in PLATON. | 强烈建议作者首先使用WWW上的Checkcif实用程序检查X射线数据和报告结构的正确性,网址为http://checkcif.iucr.org。输出的副本应作为支持信息提交,仅供审查。拥有适当软件的作者也可以使用IUCRVAL或PLATON中的CHECK验证工具。 |
| Finally, before you return your revised manuscript, please update your database entry if necessary. | 最后,在您返回修改后的手稿之前,如有必要,请更新您的数据库条目。 |
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