Data type: null
loop_ _publ_manuscript_incl_extra_item _publ_manuscript_incl_extra_info _publ_manuscript_incl_extra_defn # # Include Hydrogen Bonding Geometry Description # ============================================= # Name explanation standard? # ---- ----------- --------- '_geom_hbond_atom_site_label_D' 'H-bond donor' yes '_geom_hbond_atom_site_label_H' 'H-bond hydrogen' yes '_geom_hbond_atom_site_label_A' 'H-bond acceptor' yes '_geom_hbond_distance_DH' 'H-bond D-H' yes '_geom_hbond_distance_HA' 'H-bond H...A' yes '_geom_hbond_distance_DA' 'H-bond D...A' yes '_geom_hbond_angle_DHA' 'H-bond D-H...A' yes
Example 1 - directive to include hydrogen bonding table, including cosmetic headings in comments.
loop_ _publ_manuscript_incl_extra_item _publ_manuscript_incl_extra_info _publ_manuscript_incl_extra_defn '_atom_site_symmetry_multiplicity' 'to emphasise special sites' yes '_chemical_compound_source' 'rare material, unusual source' yes '_reflns_d_resolution_high' 'limited data is a problem here' yes '_crystal_magnetic_permeability' 'unusual value for this material' no
Example 2 - hypothetical example including both standard CIF data items and a non-CIF quantity which the author wishes to list.
Data items in the PUBL_MANUSCRIPT_INCL category allow the authors of a manuscript submitted for publication to list data names that should be added to the standard request list employed by journal printing software. Although these fields are primarily intended to identify CIF data items that the author wishes to include in a published paper, they can also be used to identify data names created so that non-CIF items can be included in the publication. Note that *_item names MUST be enclosed in single quotes.