data_0-TOPOS_PHOGLY04_eca;8/3/h3
_database_code_CSD                  PHOGLY04
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        eca;8/3/h3
_chemical_name_systematic
;
N-(Phosphonomethyl)glycine. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            PHOSPHORUS,SULFUR,SILICON,RELAT.ELEM.
_citation_year                      1993
_citation_journal_volume            82
_citation_page_first                117
_citation_special_details
;
Experiment details: Melts with decomposition. P21 polymorphherbicidal
 activity. Experiment details: The study was carried out at room temp
erature,in the range 283-303K. File: search24.cif. 
CENTAT: none
SI
MPLIG: Sc=C3H8NO5P| 
;
loop_
_publ_author_name
'Krawczyk H.'
'Bartczak T.J.'
_cell_length_a                      7.119
_cell_length_b                      5.4276
_cell_length_c                      9.1225
_cell_angle_alpha                   90
_cell_angle_beta                    105.043
_cell_angle_gamma                   90
_cell_volume                        340.4059
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 21'
_symmetry_Int_Tables_number         4
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 2 0.55514 0.66036 0.77097 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
Sc1 Sc1 7.1558 1 0 0 0 2 2 -1 2 v 2
Sc1 Sc1 5.4276 1 0 0 0 1 0 -1 0 v 2
Sc1 Sc1 5.2101 1 0 0 0 2 1 -1 2 v 2
Sc1 Sc1 5.5143 1 0 0 0 2 1 -1 1 v 2
#End of data_0-TOPOS_PHOGLY04_eca;8/3/h3