data_0-TOPOS_HOKGUJ_lbt;sqc5497
_database_code_CSD                  HOKGUJ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        lbt;sqc5497
_chemical_name_systematic
;
catena-((\m~4~-Carbonato)-(\m~2~-2,2'-bipyrimidine)-(\m~2~-hydroxo)-d
iaqua-di-cobalt(ii) nitrate tetrahydrate). 
;
_chemical_formula_sum               'Co0 Cr0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      1999
_citation_journal_volume            38
_citation_page_first                3744
_citation_special_details
;
Experiment details: The study was carried out at room temperature,in 
the range 283-303K. Experiment details: Nitrate ions are disordered o
ver a mirror plane.. File: search24.cif. 
CENTAT: Co1
SIMPLIG: Sc=H
2O Ti=C8H6N4 V=HO Cr=CO3 Mn=N2O6| 
;
loop_
_publ_author_name
'Armentano D.'
'De MUNNOG.'
'Lloret F.'
'Julve M.'
_cell_length_a                      16.444
_cell_length_b                      16.444
_cell_length_c                      14.178
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3833.804
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'I 4/m'
_symmetry_Int_Tables_number         87
_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
3 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -y,x,-z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2-y,1/2+x,1/2+z
12 1/2+y,1/2-x,1/2+z
13 1/2-x,1/2-y,1/2-z
14 1/2+x,1/2+y,1/2-z
15 1/2+y,1/2-x,1/2-z
16 1/2-y,1/2+x,1/2-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
Cr1 Cr 8 0.67681 0.50663 0.50000 1.0000
Co1 Co 16 0.66950 0.34630 0.60730 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
Cr1 Co1 3.1036 1 0 0 0 8 1 0 1 v 16
Cr1 Co1 3.0462 1 0 0 0 6 0 0 1 v 16
Co1 Co1 5.7804 1 0 0 0 13 1 0 1 v 8
Co1 Co1 3.0426 1 0 0 0 6 0 0 1 v 8
#End of data_0-TOPOS_HOKGUJ_lbt;sqc5497