data_0-TOPOS_HASTAY_sqc234
_database_code_CSD                  HASTAY
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc234
_chemical_name_systematic
;
catena-(bis(\m~4~-2,2'-bipyridine-5,5'-dicarboxylato)-hexakis(\m~3~-2
,2'-bipyridine-5,5'-dicarboxylato)-bis(\m~2~-formato)-octakis(\m~2~-c
yanido)-bis(\m~2~-hydroxo)-(\m~2~-aqua)-bis(N,N-dimethylformamide)-di
aqua-tetra-ruthenium-deca-zinc unknown solvate hexahydrate). 
;
_chemical_formula_sum               'Ti0 Sc0'
_citation_journal_abbrev            J.AM.CHEM.SOC.
_citation_year                      2012
_citation_journal_volume            134
_citation_page_first                3991
_citation_special_details
;
Experiment details: Disordered solvent molecules were not modelled an
d the disordered density wastaken into account using the SQUEEZE/PLAT
ON procedure.. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C50H24
N12O14Zn4Ru2 Ti=C56H24N14O16Zn6Ru2 V=CO| 
;
loop_
_publ_author_name
'Kent C.A.'
'Demin LIU'
'Meyer T.J.'
'Wenbin LIN'
_cell_length_a                      21.1293
_cell_length_b                      16.4835
_cell_length_c                      24.969
_cell_angle_alpha                   90
_cell_angle_beta                    92.76
_cell_angle_gamma                   90
_cell_volume                        8686.235
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 2/n'
_symmetry_Int_Tables_number         13
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,y,1/2-z
3 -x,-y,-z
4 1/2+x,-y,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
Sc1 Sc 2 0.50000 0.50000 0.50000 1.0000
Ti1 Ti 2 0.50000 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
Sc1 Ti1 13.3992 1 0 0 0 2 0 0 0 v 4
Sc1 Ti1 13.3992 1 0 0 0 2 1 0 0 v 4
Sc1 Ti1 14.9596 1 0 0 0 1 0 0 0 v 4
Sc1 Ti1 14.9596 1 0 0 0 1 0 0 1 v 4
Sc1 Sc1 15.9616 1 0 0 0 2 0 0 0 v 2
#End of data_0-TOPOS_HASTAY_sqc234