data_0-TOPOS_XOFPEP_sqc69
_database_code_CSD                  XOFPEP
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc69
_chemical_name_systematic
;
catena-(Triethylammoniumbis(\m~3~-5-nitroisophthalato)-(\m~2~-hydroxo
)-tetraoxo-di-uraniummonohydrate). 
;
_chemical_formula_sum               'Mn0 Cr0 C0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2014
_citation_journal_volume            14
_citation_page_first                3044
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C6H3NO2 Ti=C6H16N V=H
2O Cr=C4O12U2 Mn=C2O10U2| 
;
loop_
_publ_author_name
'Cantos P.M.'
'Cahill C.L.'
_cell_length_a                      10.6646
_cell_length_b                      11.0897
_cell_length_c                      14.724
_cell_angle_alpha                   106.806
_cell_angle_beta                    95.727
_cell_angle_gamma                   113.001
_cell_volume                        1489.061
_cell_formula_units_Z               1
_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
C1 C 2 0.29000 0.42440 0.21497 1.0000
Cr1 Cr 1 0.00000 0.50000 0.50000 1.0000
Mn1 Mn 1 0.00000 0.00000 0.00000 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
C1 Mn1 4.4487 1 0 0 0 1 0 0 0 v 2
C1 Mn1 9.3162 1 0 0 0 1 1 1 0 v 2
C1 Cr1 5.5193 1 0 0 0 1 0 0 0 v 2
Cr1 Cr1 11.0897 1 0 0 0 1 0 1 0 v 1
#End of data_0-TOPOS_XOFPEP_sqc69