data_2200078
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m25
_journal_page_last  m27
_publ_section_title
;
Redetermination of [bis(2-pyridyl)amine-N,N']copper(II) diperchlorate
;
loop_
_publ_author_name
  'Du, Miao'
  'Bu, Xian-He'
  'Weng, Lin-Hong'
  'Leng, Xue-Bing'
  'Guo, Ya-Mei'
_chemical_formula_moiety  'C20 H18 Cu N6 2+, 2Cl O4 1-'
_chemical_formula_sum  'C20 H18 Cl2 Cu N6 O8'
_chemical_formula_structural  '[Cu (C10 H9 N3)2] (Cl O4)2'
_chemical_formula_iupac  '[Cu (C10 H9 N3)2] (Cl O4)2'
_chemical_formula_weight  604.87
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  9.416(3)
_cell_length_b  12.955(4)
_cell_length_c  19.748(6)
_cell_angle_alpha  90.00
_cell_angle_beta  103.792(3)
_cell_angle_gamma  90.00
_cell_volume  2339.5(11)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.717
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
  Cu1  .0000  .94442(3)  .2500  .0330(2) Uani d S 1 . . Cu
  N2  .1675(2)  .99864(17)  .32137(11)  .0349(5) Uani d . 1 . . N
  C6  .1893(3)  .98516(19)  .39013(13)  .0320(5) Uani d . 1 . . C
  C7  .3135(3) 1.0275(2)  .43758(15)  .0416(7) Uani d . 1 . . C
  H7A  .3269 1.0166  .4852  .050 Uiso calc R 1 . . H
  C8  .4118(3) 1.0834(2)  .41342(18)  .0491(7) Uani d . 1 . . C
  H8A  .4932 1.1115  .4440  .059 Uiso calc R 1 . . H
  C9  .3887(3) 1.0983(3)  .34105(18)  .0507(8) Uani d . 1 . . C
  H9A  .4549 1.1360  .3228  .061 Uiso calc R 1 . . H
  C10  .2674(3) 1.0563(2)  .29821(17)  .0438(7) Uani d . 1 . . C
  H10A  .2519 1.0676  .2505  .053 Uiso calc R 1 . . H
  Cl1  .67768(7)  .69414(5)  .10754(3)  .0385(2) Uani d . 1 . . Cl
  O1  .6102(3)  .7784(2)  .06531(19)  .0868(10) Uani d . 1 . . O
  O2  .8054(3)  .7282(2)  .15773(15)  .0693(7) Uani d . 1 . . O
  O3  .7168(3)  .6117(2)  .06682(15)  .0809(9) Uani d . 1 . . O
  O4  .5742(3)  .6531(2)  .14309(17)  .0827(9) Uani d . 1 . . O
  N1  -.1062(2)  .89603(17)  .31876(11)  .0326(5) Uani d . 1 . . N
  N3  .0894(3)  .93107(17)  .41728(11)  .0369(5) Uani d . 1 . . N
  H3B  .1197  .9171  .4609  .044 Uiso calc R 1 . . H
  C1  -.2435(3)  .8573(2)  .29427(15)  .0416(6) Uani d . 1 . . C
  H1A  -.2813  .8553  .2463  .050 Uiso calc R 1 . . H
  C2  -.3280(4)  .8216(3)  .33581(18)  .0512(8) Uani d . 1 . . C
  H2A  -.4222  .7976  .3171  .061 Uiso calc R 1 . . H
  C3  -.2686(4)  .8221(2)  .40798(17)  .0497(8) Uani d . 1 . . C
  H3A  -.3233  .7977  .4381  .060 Uiso calc R 1 . . H
  C4  -.1307(3)  .8583(2)  .43367(15)  .0438(7) Uani d . 1 . . C
  H4A  -.0905  .8586  .4815  .053 Uiso calc R 1 . . H
  C5  -.0496(3)  .89501(19)  .38814(13)  .0325(5) Uani d . 1 . . C
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
  Cu1  .0287(3)  .0460(3)  .0251(3)  .000  .00804(19)  .000
  N2  .0335(12)  .0397(12)  .0321(11)  .0015(10)  .0088(9)  .0029(9)
  C6  .0302(13)  .0329(12)  .0321(13)  .0043(11)  .0057(10)  .0009(10)
  C7  .0392(16)  .0459(15)  .0351(14)  .0018(13)  -.0003(12)  -.0004(12)
  C8  .0353(15)  .0482(16)  .0571(19)  -.0068(14)  -.0023(13)  -.0037(14)
  C9  .0431(16)  .0480(17)  .0600(19)  -.0139(15)  .0107(14)  .0043(14)
  C10  .0428(17)  .0464(16)  .0440(16)  -.0062(13)  .0137(13)  .0070(12)
  Cl1  .0375(4)  .0408(4)  .0370(4)  .0049(3)  .0089(3)  -.0008(2)
  O1  .0678(18)  .0675(16)  .113(2)  .0057(15)  -.0019(16)  .0378(17)
  O2  .0538(14)  .0722(16)  .0726(17)  .0001(13)  -.0034(12)  -.0210(13)
  O3  .0832(19)  .095(2)  .0606(16)  .0202(17)  .0107(14)  -.0334(15)
  O4  .0735(19)  .0824(19)  .107(2)  .0093(15)  .0508(17)  .0212(17)
  N1  .0304(11)  .0382(11)  .0308(11)  -.0025(10)  .0100(9)  -.0015(9)
  N3  .0362(12)  .0463(12)  .0278(11)  -.0022(10)  .0070(9)  .0061(9)
  C1  .0382(15)  .0484(16)  .0372(14)  -.0122(13)  .0068(11)  -.0033(12)
  C2  .0409(16)  .0616(19)  .0522(17)  -.0149(15)  .0130(14)  .0040(15)
  C3  .0493(18)  .0580(18)  .0484(17)  -.0079(15)  .0245(14)  .0068(14)
  C4  .0473(17)  .0517(16)  .0355(15)  .0013(14)  .0160(12)  .0079(12)
  C5  .0356(14)  .0328(12)  .0300(13)  .0024(11)  .0098(10)  .0000(10)
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
  Cu1 N1 2 1.971(2) no
  Cu1 N1 . 1.971(2) yes
  Cu1 N2 . 1.977(2) yes
  Cu1 N2 2 1.977(2) no
  N2 C6 . 1.335(4) no
  N2 C10 . 1.363(4) no
  C6 N3 . 1.380(3) no
  C6 C7 . 1.422(4) no
  C7 C8 . 1.348(5) no
  C8 C9 . 1.407(5) no
  C9 C10 . 1.362(4) no
  Cl1 O1 . 1.428(3) no
  Cl1 O4 . 1.432(3) no
  Cl1 O2 . 1.433(2) no
  Cl1 O3 . 1.437(3) no
  N1 C5 . 1.347(3) no
  N1 C1 . 1.364(4) no
  N3 C5 . 1.380(4) no
  C1 C2 . 1.353(4) no
  C2 C3 . 1.401(5) no
  C3 C4 . 1.360(5) no
  C4 C5 . 1.395(4) no