data_global _amcsd_formula_title 'SnCo4(CO)16' loop_ _publ_author_name 'Leigh J S' 'Whitmire K H' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 732 _journal_page_last 736 _publ_section_title ; The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4] ; _database_code_amcsd 0010126 _chemical_formula_sum 'Sn Co4 O16 C16' _cell_length_a 17.255 _cell_length_b 17.255 _cell_length_c 17.255 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5137.417 _exptl_crystal_density_diffrn 2.075 _symmetry_space_group_name_H-M 'F -4 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '-z,x,-y' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' '-y,z,-x' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,-z,1/2-y' 'x,1/2-z,-y' '1/2+x,-z,-y' '1/2+x,1/2-z,1/2-y' 'z,-y,1/2-x' 'z,1/2-y,-x' '1/2+z,-y,-x' '1/2+z,1/2-y,1/2-x' 'y,-x,1/2-z' 'y,1/2-x,-z' '1/2+y,-x,-z' '1/2+y,1/2-x,1/2-z' 'x,z,1/2+y' 'x,1/2+z,+y' '1/2+x,z,+y' '1/2+x,1/2+z,1/2+y' 'z,y,1/2+x' 'z,1/2+y,+x' '1/2+z,y,+x' '1/2+z,1/2+y,1/2+x' 'y,x,1/2+z' 'y,1/2+x,+z' '1/2+y,x,+z' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-y,-z,x' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' 'z,-x,-y' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'y,-z,-x' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,z,1/2-y' '-x,1/2+z,-y' '1/2-x,z,-y' '1/2-x,1/2+z,1/2-y' '-z,y,1/2-x' '-z,1/2+y,-x' '1/2-z,y,-x' '1/2-z,1/2+y,1/2-x' '-y,x,1/2-z' '-y,1/2+x,-z' '1/2-y,x,-z' '1/2-y,1/2+x,1/2-z' '-x,-z,1/2+y' '-x,1/2-z,+y' '1/2-x,-z,+y' '1/2-x,1/2-z,1/2+y' '-z,-y,1/2+x' '-z,1/2-y,+x' '1/2-z,-y,+x' '1/2-z,1/2-y,1/2+x' '-y,-x,1/2+z' '-y,1/2-x,+z' '1/2-y,-x,+z' '1/2-y,1/2-x,1/2+z' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sn 0.00000 0.00000 0.00000 0.02749 Co -0.08932 -0.08930 -0.08930 0.03732 O1 -0.18630 -0.18630 -0.18630 0.11848 O2 -0.19280 0.04270 -0.10900 0.07599 C1 -0.14990 -0.14990 -0.14990 0.06424 C2 -0.15070 -0.00730 -0.09910 0.04813