data_2007018
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  189
_journal_page_last  191
_publ_section_title
;
 catena-Poly[[(N-salicylideneglycinato-N,O,O')copper(II)-
\m-pyrazine-N:N'-(N-salicylideneglycinato-N,O,O')copper(II)]-
\m-1,4-dioxane-O:O']
;
loop_
_publ_author_name
  'Warda, Salam A.'
_chemical_formula_sum  'C26 H26 Cu2 N4 O8'
_chemical_formula_iupac  '[Cu2 (C9 H7 NO3)2 (C4 H4 N2) (C4 H8 O2)]'
_chemical_formula_weight  649.58
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  8.5214(7)
_cell_length_b  15.3737(18)
_cell_length_c  9.9845(5)
_cell_angle_alpha  90.00
_cell_angle_beta  100.905(5)
_cell_angle_gamma  90.00
_cell_volume  1284.4(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.680
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu  .84328(4)  .557318(19)  .27803(3)  .02970(14) Uani d . 1 . . Cu
  O1  .8719(3)  .44150(11)  .3420(2)  .0385(5) Uani d . 1 . . O
  N1  .7509(3)  .59617(14)  .4287(2)  .0303(5) Uani d . 1 . . N
  C1  .8257(3)  .40882(18)  .4492(3)  .0310(6) Uani d . 1 . . C
  O2  .8201(2)  .67730(12)  .21878(18)  .0367(4) Uani d . 1 . . O
  C2  .8544(3)  .31985(19)  .4784(3)  .0399(6) Uani d . 1 . . C
  H2  .9133  .2874  .4286  .048 Uiso d R 1 . . H
  N2  .9448(2)  .52470(14)  .1165(2)  .0294(5) Uani d . 1 . . N
  O3  .7349(3)  .80645(12)  .2745(2)  .0506(6) Uani d . 1 . . O
  C3  .8075(4)  .2805(2)  .5877(3)  .0466(7) Uani d . 1 . . C
  H3  .8348  .2180  .6067  .056 Uiso d R 1 . . H
  C4  .7281(4)  .3276(2)  .6740(3)  .0510(8) Uani d . 1 . . C
  H4  .6927  .2964  .7534  .061 Uiso d R 1 . . H
  O4  .5760(2)  .52916(14)  .1293(2)  .0435(5) Uani d . 1 . . O
  C5  .6979(4)  .4134(2)  .6482(3)  .0447(7) Uani d . 1 . . C
  H5  .6403  .4478  .7048  .054 Uiso d R 1 . . H
  C6  .7463(3)  .45676(17)  .5387(3)  .0327(6) Uani d . 1 . . C
  C7  .7148(4)  .54853(17)  .5236(3)  .0360(6) Uani d . 1 . . C
  H7  .6616  .5752  .5934  .043 Uiso d R 1 . . H
  C8  .7138(4)  .68884(17)  .4229(3)  .0370(6) Uani d . 1 . . C
  H8B  .7676  .7212  .5035  .044 Uiso d R 1 . . H
  H8A  .6082  .6984  .4252  .044 Uiso d R 1 . . H
  C9  .7591(3)  .72877(17)  .2959(3)  .0332(6) Uani d . 1 . . C
  C10  .9245(3)  .57500(18)  .0054(3)  .0352(6) Uani d . 1 . . C
  H10  .8632  .6239  .0040  .042 Uiso d R 1 . . H
  C11 1.0214(3)  .44943(17)  .1106(3)  .0344(6) Uani d . 1 . . C
  H11 1.0347  .4120  .1895  .041 Uiso d R 1 . . H
  C12  .4806(4)  .5861(2)  .0361(3)  .0477(8) Uani d . 1 . . C
  H12B  .3657  .5845  .0546  .057 Uiso d R 1 . . H
  H12A  .5204  .6437  .0454  .057 Uiso d R 1 . . H
  C13  .5218(4)  .4414(2)  .1086(3)  .0472(8) Uani d . 1 . . C
  H13B  .4136  .4381  .1357  .057 Uiso d R 1 . . H
  H13A  .6007  .3990  .1629  .057 Uiso d R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu  .0435(2)  .0287(2)  .0202(2)  -.00184(13)  .01463(14)  .00026(12)
  O1  .0591(12)  .0340(11)  .0278(11)  -.0078(8)  .0223(9)  -.0046(8)
  N1  .0415(12)  .0304(12)  .0209(11)  .0002(9)  .0104(9)  .0012(9)
  C1  .0364(13)  .0362(14)  .0200(12)  .0013(11)  .0043(10)  .0008(11)
  O2  .0597(12)  .0297(9)  .0246(9)  .0004(9)  .0182(8)  -.0001(8)
  C2  .0509(17)  .0362(15)  .0329(15)  -.0032(13)  .0086(12)  -.0019(12)
  N2  .0355(11)  .0321(11)  .0236(11)  -.0015(9)  .0130(9)  -.0003(9)
  O3  .0903(17)  .0279(11)  .0363(12)  -.0047(10)  .0186(11)  -.0006(9)
  C3  .0560(19)  .0363(16)  .0469(18)  .0000(14)  .0079(15)  -.0125(14)
  C4  .063(2)  .0555(19)  .0371(16)  .0036(16)  .0153(15)  -.0181(15)
  O4  .0538(12)  .0465(11)  .0274(10)  .0087(10)  .0005(9)  .0021(9)
  C5  .0596(19)  .0499(17)  .0291(15)  .0026(15)  .0197(14)  -.0054(14)
  C6  .0408(14)  .0371(15)  .0212(13)  .0011(11)  .0090(11)  -.0014(11)
  C7  .0480(16)  .0389(15)  .0233(13)  .0007(12)  .0127(12)  .0058(11)
  C8  .0552(17)  .0315(14)  .0285(14)  -.0011(12)  .0185(12)  .0027(11)
  C9  .0441(15)  .0310(14)  .0236(13)  .0020(11)  .0040(11)  .0047(11)
  C10  .0457(15)  .0334(14)  .0309(15)  -.0105(12)  .0180(12)  -.0055(12)
  C11  .0467(15)  .0345(14)  .0259(14)  -.0063(12)  .0164(12)  -.0057(11)
  C12  .0580(19)  .0407(16)  .0417(18)  .0026(15)  .0026(15)  .0053(14)
  C13  .0575(19)  .0476(18)  .0348(17)  .0108(14)  .0047(14)  -.0053(13)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu O1 . 1.8918(18) y
  Cu N1 . 1.920(2) y
  Cu O2 . 1.9357(18) y
  Cu N2 . 2.032(2) y
  Cu O4 . 2.510(2) y
  O1 C1 . 1.309(3) ?
  N1 C7 . 1.280(3) ?
  N1 C8 . 1.458(3) ?
  C1 C2 . 1.410(4) ?
  C1 C6 . 1.424(4) ?
  O2 C9 . 1.281(3) ?
  C2 C3 . 1.371(4) ?
  C2 H2 .  .9185 ?
  N2 C11 . 1.335(3) ?
  N2 C10 . 1.336(3) ?
  O3 C9 . 1.224(3) ?
  C3 C4 . 1.395(5) ?
  C3 H3 .  .9984 ?
  C4 C5 . 1.360(5) ?
  C4 H4 . 1.0193 ?
  O4 C12 . 1.416(4) ?
  O4 C13 . 1.428(3) ?
  C5 C6 . 1.408(4) ?
  C5 H5 .  .9710 ?
  C6 C7 . 1.439(4) ?
  C7 H7 .  .9896 ?
  C8 C9 . 1.523(4) ?
  C8 H8B .  .9831 ?
  C8 H8A .  .9159 ?
  C10 C11 3_765 1.377(4) ?
  C10 H10 .  .9143 ?
  C11 C10 3_765 1.377(4) ?
  C11 H11 .  .9647 ?
  C12 C13 3_665 1.501(5) ?
  C12 H12B . 1.0308 ?
  C12 H12A .  .9474 ?
  C13 C12 3_665 1.501(5) ?
  C13 H13B . 1.0097 ?
  C13 H13A . 1.0164 ?