Restraints dictionary version 1.0
_restr_equal_angle_site_symmetry_
Names:'_restr_equal_angle_site_symmetry_1' '_restr_equal_angle_site_symmetry_2' '_restr_equal_angle_site_symmetry_3'
Definition:
The site symmetries of the three atoms that define an angle restrained to be equal to other angles in the same class. The symmetry code of each atom site is given as the symmetry-equivalent position number 'n' and the cell translation number 'klm'. These numbers are combined to form the code n_klm. The character string n_klm is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site_fract_x, _atom_site_fract_y and _atom_site_fract_z. It must match a number given in _space_group_symop_id (formerly _symmetry_equiv_pos_site_id). k, l and m refer to the translations that are subsequently applied to the symmetry-transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (k,l,m) by the relations k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided.Examples:
. | no symmetry or translation to site |
4 | 4th symmetry operation applied |
7_645 | 7th symm. posn.; +a on x; -b on y |
Appears in list containing _restr_equal_angle_atom_site_label_
Enumeration default: 1_555
Type: char
Category: restr_equal_angle