data_0-TOPOS_KINSEH_sqc72
_database_code_CSD                  KINSEH
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc72
_chemical_name_systematic
;
catena-[(\m~8~-4,4',4'',4'''-(3,6-dibromobenzene-1,2,4,5-tetrayl)tetr
abenzoato)-(\m~2~-3,6-bis(pyridin-4-ylethynyl)benzene-1,2-diyl di-ter
t-butylbiscarbonate)-di-zinc(ii)]. 
;
_chemical_formula_sum               'Cr0 Fe0 Mn0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2013
_citation_journal_volume            13
_citation_page_first                3528
_citation_special_details
;
Experiment details: The structure is disordered.. File: search24.cif.
 
CENTAT: none
SIMPLIG: Sc=C6H4 Ti=C5H4N V=C7H32O2 Cr=C4O8Zn2 Mn=C6
Br2 Fe=C10O6| 
;
loop_
_publ_author_name
'Nguyen H.G.T.'
'Weston M.H.'
'Sarjeant A.A.'
'Gardner D.M.'
'Zhi AN'
'Carmieli R.'
'Wasielewski M.R.'
'Farha O.K.'
'Hupp J.T.'
'Nguyen S.T.'
_cell_length_a                      10.9619
_cell_length_b                      16.0098
_cell_length_c                      23.383
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4103.665
_cell_formula_units_Z               1
_symmetry_space_group_name_H-M      'P m m m'
_symmetry_Int_Tables_number         47
_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 x,-y,-z
4 -x,y,-z
5 -x,-y,-z
6 x,y,-z
7 -x,y,z
8 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
Mn1 Mn 1 0.50000 0.50000 0.00000 1.0000
Fe1 Fe 1 0.00000 0.00000 0.50000 1.0000
Cr1 Cr 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
Mn1 Cr1 9.7015 1 0 0 0 1 0 0 0 v 4
Fe1 Fe1 10.9619 1 0 0 0 1 1 0 0 v 1
Fe1 Cr1 11.6915 1 0 0 0 1 0 0 0 v 2
#End of data_0-TOPOS_KINSEH_sqc72