data_BF4
#

_chem_comp.id                                   BF4
_chem_comp.name                                 "BERYLLIUM TETRAFLUORIDE ION"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "Be F4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   -2
_chem_comp.pdbx_initial_date                    2002-03-20
_chem_comp.pdbx_modified_date                   2011-06-04
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       85.006
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    BF4
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       1L5Y
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
BF4  BE  BE  BE  -2  0  N  N  N  -1.523  1.706  20.014  ?  ?  ?  BE  BF4  1  
BF4  F1  F1  F    0  1  N  N  N  -0.650  2.909  20.082  ?  ?  ?  F1  BF4  2  
BF4  F2  F2  F    0  1  N  N  N  -0.973  0.698  19.058  ?  ?  ?  F2  BF4  3  
BF4  F3  F3  F    0  1  N  N  N  -1.577  1.097  21.362  ?  ?  ?  F3  BF4  4  
BF4  F4  F4  F    0  1  N  N  N  -2.888  2.124  19.569  ?  ?  ?  F4  BF4  5  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
BF4  BE  F1  SING  N  N  1  
BF4  BE  F2  SING  N  N  2  
BF4  BE  F3  SING  N  N  3  
BF4  BE  F4  SING  N  N  4  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
BF4  SMILES            ACDLabs               10.04  "F[Be-2](F)(F)F"  
BF4  SMILES_CANONICAL  CACTVS                3.341  "F[Be--](F)(F)F"  
BF4  SMILES            CACTVS                3.341  "F[Be--](F)(F)F"  
BF4  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "[Be-2](F)(F)(F)F"  
BF4  SMILES            "OpenEye OEToolkits"  1.5.0  "[Be-2](F)(F)(F)F"  
BF4  InChI             InChI                 1.03   "InChI=1S/Be.4FH/h;4*1H/q+2;;;;/p-4"  
BF4  InChIKey          InChI                 1.03   UUMYFIKVCFICLB-UHFFFAOYSA-J  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
BF4  "SYSTEMATIC NAME"  ACDLabs               10.04  "tetrafluoroberyllate(2-)"  
BF4  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  tetrafluoroberyllium  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
BF4  "Create component"   2002-03-20  RCSB  
BF4  "Modify descriptor"  2011-06-04  RCSB  
##