data_2010191
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1699
_journal_page_last  1701
_publ_section_title
;
A Binuclear Copper(II) Complex: \m-(4,4'-Biyridine)-N:N'-
bis{bis[4,4,4-trifluoro-1-(2-thienyl)-
1,3butanedionato-O,O']copper}
;
loop_
_publ_author_name
  'Li, M.-X.'
  'Xu, Z.'
  'You, X.-Z.'
  'Chen, C.-G.'
_chemical_formula_moiety  '[Cu2 (C8 H4 F3 O2 S)4 (C10 H8 N)2]'
_chemical_formula_sum  'C42 H24 Cu2 F12 N2 O8 S4'
_chemical_formula_weight  1167.99
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  8.547(2)
_cell_length_b  10.187(4)
_cell_length_c  13.895(6)
_cell_angle_alpha  72.45(3)
_cell_angle_beta  85.20(3)
_cell_angle_gamma  86.06(3)
_cell_volume  1148.2(6)
_cell_formula_units_Z  1
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.69
_exptl_crystal_density_meas  1.689
_refine_ls_R_factor_obs  0.056
_refine_ls_wR_factor_obs  0.063
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cu .02390(10)
  .36942(8) .24668(6)
  S1 -.2598(3) .0578(3) .1491(2)
  S2 -.3143(3) .5698(2) -.0163(2)
  F1 .2828(8) -.0739(6) .4810(6)
  F2 .3169(8) .1132(7) .5017(4)
  F3 .4303(7) .0711(9) .3801(5)
  F4 .4140(6) .6712(6) .1741(6)
  F5 .2722(8) .7408(6) .2754(4)
  F6 .2704(7) .8486(5) .1238(5)
  O1 -.0779(5) .2147(4) .2299(4)
  O2 .1634(6) .2511(5) .3416(4)
  O3 .1527(5) .5195(5) .2438(4)
  O4 -.0888(5) .4817(4) .1321(3)
  N1 -.1772(7) .4058(6) .3540(4)
  C1 -.3300(10)
  -.0963(8) .1638(7)
  C2 -.2700(10)
  -.1945(9) .2385(8)
  C3 -.1535(7) -.1616(6) .2975(5)
  C4 -.1444(8) -.0078(7) .2460(5)
  C5 -.0494(8) .0886(6) .2742(5)
  C6 .0662(9) .0385(7) .3426(6)
  C7 .1628(9) .1208(7) .3687(5)
  C8 .2970(10)
  .0540(9) .4322(7)
  C9 -.3910(10)
  .7047(9) -.1047(6)
  C10 -.3200(10)
  .8216(8) -.1173(6)
  C11 -.1936(8) .8094(7) -.0548(5)
  C12 -.1773(7) .6695(6) .0062(5)
  C13 -.0682(7) .6067(6) .0829(5)
  C14 .0494(8) .6845(7) .1016(5)
  C15 .1482(8) .6345(7) .1766(5)
  C16 .2750(10)
  .7258(8) .1852(7)
  C17 -.3220(9) .3905(8) .3391(6)
  C18 -.4515(8) .4238(8) .3927(6)
  C19 -.4318(8) .4798(7) .4702(5)
  C20 -.2800(10)
  .4970(10)
  .4854(6)
  C21 -.1582(9) .4590(10)
  .4277(6)
  HC1 -.430 -.099 .131
  HC2 -.314 -.269 .268
  HC3 -.029 -.168 .291
  HC6 .062 -.040 .377
  HC9 -.493 .701 -.130
  HC10 -.332 .918 -.188
  HC11 -.139 .891 -.063
  HC14 .069 .757 .056
  HC17 -.332 .361 .271
  HC18 -.557 .416 .375
  HC20 -.250 .500 .563
  HC21 -.064 .478 .439
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu O1 1.933(4) yes
  Cu O3 1.933(4) yes
  Cu N1 2.266(5) yes
  C5 C6 1.391(8) yes
  O2 C7 1.266(7) yes
  N1 C17 1.299(7) yes
  C18 C19 1.389(8) yes
  C20 C21 1.368(9) yes
  Cu O2 1.929(4) yes
  Cu O4 1.944(4) yes
  O1 C5 1.262(6) yes
  C6 C7 1.359(8) yes
  C4 C5 1.474(7) yes
  C17 C18 1.362(9) yes
  C19 C20 1.359(8) yes
  N1 C21 1.320(8) yes
  S1 C1 1.669(7) no
  S1 C4 1.680(6) no
  S2 C9 1.680(7) no
  S2 C12 1.707(5) no
  F1 C8 1.284(9) no
  F2 C8 1.310(9) no
  F3 C8 1.290(10)
  no
  F4 C16 1.292(9) no
  F5 C16 1.306(9) no
  F6 C16 1.284(8) no
  O3 C15 1.260(7) no
  O4 C13 1.267(6) no
  C1 C2 1.300(10)
  no
  C2 C3 1.460(10)
  no
  C3 C4 1.518(8) no
  C7 C8 1.504(9) no
  C9 C10 1.330(10)
  no
  C10 C11 1.416(9) no
  C11 C12 1.426(8) no
  C12 C13 1.445(7) no
  C13 C14 1.408(7) no
  C14 C15 1.352(8) no
  C15 C16 1.511(8) no
  C1 HC1 1.001(7) no
  C2 HC2 0.839(8) no
  C3 HC3 1.057(5) no
  C6 HC6 0.802(6) no
  C9 HC9 0.972(7) no
  C10 HC10 1.163(7) no
  C11 HC11 0.953(6) no
  C14 HC14 0.836(6) no
  C17 HC17 1.079(6) no
  C18 HC18 0.966(6) no
  C20 HC20 1.134(6) no
  C21 HC21 0.880(7) no