data_2012518
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m87
_journal_page_last  m88
_publ_section_title
;
Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphato-S,S'),
[Cu^II^(en)~2~][(EtO)~2~P(S)S]~2~
;
loop_
_publ_author_name
  'Fun, Hoong-Kun'
  'Hao, Qingli'
  'Ma, Haibo'
  'Yang, Xujie'
  'Lu, Lude'
  'Wang, Xin'
  'Chantrapromma, Suchada'
  'Razak, Ibrahim Abdul'
  'Usman, Anwar'
_chemical_formula_moiety  'C4 H16 Cu N4 2+, 2C4 H10 O2 P S2 1-'
_chemical_formula_sum  'C12 H36 Cu N4 O4 P2 S4'
_chemical_formula_iupac  '[Cu (C2 H8 N2)] (C4 H10 O2 P S2)2'
_chemical_formula_weight  554.22
_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  14.6683(3)
_cell_length_b  6.94090(10)
_cell_length_c  13.58890(10)
_cell_angle_alpha  90.00
_cell_angle_beta  111.1570(10)
_cell_angle_gamma  90.00
_cell_volume  1290.25(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.426
_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
  Cu1  .0000  .5000  .0000  .03526(16) Uani d S 1 . . Cu
  P1  -.21830(5)  .17834(10)  .02951(6)  .02969(18) Uani d . 1 . . P
  S1  -.11126(6)  .13620(10)  -.02282(6)  .0376(2) Uani d . 1 . . S
  S2  -.19133(6)  .31888(11)  .16269(6)  .0423(2) Uani d . 1 . . S
  O1  -.30857(15)  .2898(3)  -.05542(15)  .0394(5) Uani d . 1 . . O
  O2  -.26241(15)  -.0331(3)  .03245(16)  .0381(5) Uani d . 1 . . O
  N1  .03236(19)  .4767(3)  .15711(18)  .0413(6) Uani d . 1 . . N
  H1A  .0566  .5888  .1892  .050 Uiso calc R 1 . . H
  H1B  -.0218  .4479  .1705  .050 Uiso calc R 1 . . H
  N4  .1241(2)  .3484(3)  .0280(2)  .0420(6) Uani d . 1 . . N
  H4A  .1097  .2279  .0028  .050 Uiso calc R 1 . . H
  H4B  .1608  .4046  -.0046  .050 Uiso calc R 1 . . H
  C2  .1057(3)  .3217(4)  .1968(3)  .0486(8) Uani d . 1 . . C
  H2B  .0742  .1966  .1811  .058 Uiso calc R 1 . . H
  H2A  .1383  .3327  .2726  .058 Uiso calc R 1 . . H
  C3  .1782(3)  .3431(5)  .1430(3)  .0510(9) Uani d . 1 . . C
  H3B  .2153  .4610  .1658  .061 Uiso calc R 1 . . H
  H3A  .2234  .2354  .1609  .061 Uiso calc R 1 . . H
  C7  -.3500(3)  .2163(5)  -.1622(2)  .0528(9) Uani d . 1 . . C
  H7A  -.3744  .0865  -.1621  .063 Uiso calc R 1 . . H
  H7B  -.3007  .2134  -.1943  .063 Uiso calc R 1 . . H
  C8  -.4318(3)  .3484(7)  -.2227(3)  .0767(13) Uani d . 1 . . C
  H8A  -.4590  .3073  -.2949  .115 Uiso calc R 1 . . H
  H8B  -.4073  .4774  -.2195  .115 Uiso calc R 1 . . H
  H8C  -.4816  .3452  -.1923  .115 Uiso calc R 1 . . H
  C5  -.3477(3)  -.0558(5)  .0606(3)  .0540(9) Uani d . 1 . . C
  H5A  -.3992  .0297  .0183  .065 Uiso calc R 1 . . H
  H5B  -.3318  -.0231  .1343  .065 Uiso calc R 1 . . H
  C6  -.3810(3)  -.2565(6)  .0422(4)  .0790(13) Uani d . 1 . . C
  H6A  -.4420  -.2693  .0526  .119 Uiso calc R 1 . . H
  H6B  -.3331  -.3390  .0907  .119 Uiso calc R 1 . . H
  H6C  -.3895  -.2925  -.0288  .119 Uiso calc 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
  Cu1  .0420(3)  .0313(3)  .0356(3)  .0067(2)  .0178(2)  -.0020(2)
  P1  .0313(4)  .0268(3)  .0340(4)  .0026(3)  .0154(3)  .0006(3)
  S1  .0373(4)  .0298(4)  .0547(5)  -.0046(3)  .0273(4)  -.0086(3)
  S2  .0510(5)  .0449(4)  .0357(4)  .0019(4)  .0213(4)  -.0054(3)
  O1  .0394(13)  .0429(11)  .0358(10)  .0125(10)  .0134(10)  .0038(9)
  O2  .0365(12)  .0320(10)  .0549(12)  -.0029(9)  .0276(11)  .0013(9)
  N1  .0425(16)  .0434(14)  .0406(14)  -.0102(12)  .0182(13)  -.0078(11)
  N4  .0443(16)  .0292(12)  .0570(16)  .0009(11)  .0236(14)  -.0004(11)
  C2  .053(2)  .0439(18)  .0410(17)  -.0068(16)  .0069(16)  .0037(14)
  C3  .0383(19)  .0412(17)  .064(2)  .0024(15)  .0076(18)  .0003(15)
  C7  .049(2)  .064(2)  .0410(18)  -.0030(18)  .0111(17)  -.0003(16)
  C8  .048(2)  .121(4)  .053(2)  .006(2)  .007(2)  .025(2)
  C5  .046(2)  .060(2)  .071(2)  -.0054(17)  .039(2)  .0034(18)
  C6  .053(3)  .064(2)  .130(4)  -.014(2)  .045(3)  .013(3)
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 N4 3_565 2.016(2) ?
  Cu1 N4 . 2.016(2) yes
  Cu1 N1 . 2.019(2) yes
  Cu1 N1 3_565 2.019(2) ?
  P1 O1 . 1.606(2) yes
  P1 O2 . 1.6098(19) yes
  P1 S1 . 1.9652(10) yes
  P1 S2 . 1.9664(10) yes
  O1 C7 . 1.449(4) yes
  O2 C5 . 1.442(3) yes
  N1 C2 . 1.478(4) yes
  N1 H1A .  .9000 ?
  N1 H1B .  .9000 ?
  N4 C3 . 1.477(4) yes
  N4 H4A .  .9000 ?
  N4 H4B .  .9000 ?
  C2 C3 . 1.500(5) yes
  C2 H2B .  .9700 ?
  C2 H2A .  .9700 ?
  C3 H3B .  .9700 ?
  C3 H3A .  .9700 ?
  C7 C8 . 1.498(5) yes
  C7 H7A .  .9700 ?
  C7 H7B .  .9700 ?
  C8 H8A .  .9600 ?
  C8 H8B .  .9600 ?
  C8 H8C .  .9600 ?
  C5 C6 . 1.467(5) yes
  C5 H5A .  .9700 ?
  C5 H5B .  .9700 ?
  C6 H6A .  .9600 ?
  C6 H6B .  .9600 ?
  C6 H6C .  .9600 ?