data_0-TOPOS_WOPXEE01_sqc707
_database_code_CSD                  WOPXEE01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc707
_chemical_name_systematic
;
catena-(bis(\m~3~-Oxo)-tetrakis(\m~2~-oxo)-(\m~2~-piperazine)-dioxo-d
i-copper(ii)-di-molybdenum(vi)). 
;
_chemical_formula_sum               'Cu0 O0 Mo0'
_citation_journal_abbrev            J.MOL.STRUCT.
_citation_year                      2009
_citation_journal_volume            933
_citation_page_first                156
_citation_special_details
;
File: search24.cif. 
CENTAT: Cu1 Mo1
SIMPLIG: Sc=C4H10N2| 
;
loop_
_publ_author_name
'Pavani K.'
'Singh M.'
'Ramanan A.'
'Lofland S.E.'
'Ramanujachary K.V.'
_cell_length_a                      5.5765
_cell_length_b                      6.8304
_cell_length_c                      9.2379
_cell_angle_alpha                   100.688
_cell_angle_beta                    101.462
_cell_angle_gamma                   112.624
_cell_volume                        304.683
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-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
Mo1 Mo 2 0.69807 0.66173 0.88927 1.0000
O1 O 2 0.49350 0.17370 0.08180 1.0000
Cu1 Cu 2 0.44129 0.88437 0.11945 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
Mo1 Cu1 3.4867 1 0 0 0 2 1 1 1 v 2
Mo1 O1 1.8445 1 0 0 0 2 1 1 1 v 2
Mo1 Cu1 3.8027 1 0 0 0 1 1 0 1 v 2
O1 Cu1 1.9909 1 0 0 0 1 0 -1 0 v 2
O1 Cu1 1.9627 1 0 0 0 2 1 1 0 v 2
Cu1 Cu1 6.7538 1 0 0 0 2 1 2 1 v 1
#End of data_0-TOPOS_WOPXEE01_sqc707