data_0-TOPOS_ZAWVIF_1,2,2M5-1
_database_code_CSD                  ZAWVIF
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        1,2,2M5-1
_chemical_name_systematic
;
3-ferrocenyl-1-(ferrocenylmethyl)-1H-pyrazole. 
;
_chemical_formula_sum               'ZA0 ZC0 ZB0'
_citation_journal_abbrev            Monatsh.Chem.
_citation_year                      2017
_citation_journal_volume            148
_citation_page_first                952
_citation_special_details
;
File: Z.cif. 
CENTAT: Fe1 Fe2
SIMPLIG: ZA=C5H5 ZB=C14H12N2 ZC=Fe
S
IMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Rodionov A.N.'
'Gerasimova M.D.'
'Osipova E.YU.'
'Korlyukov A.A.'
'Peregudov A.S.'
'Simenel A.A.'
_cell_length_a                      13.3166
_cell_length_b                      9.637
_cell_length_c                      14.9582
_cell_angle_alpha                   90
_cell_angle_beta                    101.04
_cell_angle_gamma                   90
_cell_volume                        1884.092
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-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
ZC2 ZC 4 0.65444 0.78591 0.49121 1.0000
ZA2 ZA 4 0.61316 0.77575 0.58784 1.0000
ZB1 ZB 4 0.41663 0.76492 0.36943 1.0000
ZC1 ZC 4 0.09038 0.67517 0.37674 1.0000
ZA1 ZA 4 0.02054 0.55634 0.31462 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
ZC2 ZB1 3.3434 1 0 0 0 1 0 0 0 v 4
ZC2 ZA2 1.6447 1 0 0 0 1 0 0 0 v 4
ZB1 ZC1 4.4517 1 0 0 0 1 0 0 0 v 4
ZC1 ZA1 1.6458 1 0 0 0 1 0 0 0 v 4
#End of data_0-TOPOS_ZAWVIF_1,2,2M5-1