cif required tems for singlecif required items for singlecif required items for singlecif required items for single.doc

CIF required items for single-crystal reports This page lists the data items that are required for a single-crystal study. For a list of items to include in a powder diffraction study, please click here. Detailed descriptions of these data items are given in the core CIF dictionary [see also Hall et al. (1991). Acta Cryst. A47, 655-685]. New names listed below are flagged with (new) and in some cases are followed by old names [in regular type and flagged with (old)] which are accepted but will be discontinued in the future. Authors may also include other data items in the CIF (see the two _publ_manuscript_incl_extra_ entries towards the end of the list) provided their data names are also listed in the _publ_contact_letter text. Text items _publ_contact_author_name Contact authors name _publ_contact_author_address Contact authors address _publ_contact_author Contact authors name and address (old) _publ_contact_author_email E-mail address to be published _publ_contact_author_fax For editorial communications _publ_contact_author_phone For editorial communications _publ_contact_letter Letter of submission, with date _publ_requested_journal Acta Crystallographica Section C _publ_section_title Title of paper _publ_section_title_footnote Footnote to title of paper _publ_author_name List of author(s) name(s) _publ_author_footnote Footnote(s) to author(s) name(s) _publ_author_address Author(s) address(es) _publ_section_synopsis Synopsis for compounds that cannot be shown as a chemical diagram. Not required for Acta Cryst. Section E. _publ_section_abstract Abstract of paper in English _publ_section_commentorloop__publ_body_element_publ_body_title_publ_body_contents(author defined sections; use of  recommended) Discussion of study _publ_section_acknowledgements Acknowledgements _publ_section_references References _publ_section_figure_captions Legends to figures ? ? Experimental data (machine and author ge