data_2010585
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  40
_journal_page_last  41
_publ_section_title
;
Potassium bis(ethylenediamine)copper(II) ferricyanide
;
loop_
_publ_author_name
  'Kang, Bei-Sheng'
  'Tong, Ye-Xiang'
  'Yu, Kai-Bei'
  'Su, Cheng-Yong'
  'Zhang, Hua-Xin'
_chemical_formula_moiety  'K 1+, C4 H16 Cu1 N4 2+, C6 Fe1 N6 3-'
_chemical_formula_sum  'C10 H16 Cu Fe K N10'
_chemical_formula_iupac  'K [Cu (C2 H8 N2)2][Fe C6 N6]'
_chemical_formula_weight  434.82
_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  8.4280(10)
_cell_length_b  16.8630(10)
_cell_length_c  11.8690(10)
_cell_angle_alpha  90.00
_cell_angle_beta  98.860(10)
_cell_angle_gamma  90.00
_cell_volume  1666.7(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  1.733
_diffrn_ambient_temperature  295(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
  Fe 0  .384388(19)  .25  .01833(10) Uani d S 1 . . Fe
  Cu  .5  .5 0  .03694(12) Uani d S 1 . . Cu
  K 0  .35976(3)  -.25  .02618(13) Uani d S 1 . . K
  N1  .6159(2)  .41481(11)  -.07077(15)  .0383(4) Uani d D 1 . . N
  H1A  .5860  .4151  -.1469  .046 Uiso calc R 1 A 1 H
  H1B  .7224  .4233  -.0557  .046 Uiso calc R 1 A 1 H
  N2  .3797(2)  .41230(11)  .05942(18)  .0482(5) Uani d D 1 . . N
  H2A  .4139  .4058  .1345  .058 Uiso calc R 1 B 1 H
  H2B  .2743  .4240  .0496  .058 Uiso calc R 1 B 1 H
  C1  .5767(8)  .3370(4)  -.0236(6)  .0448(17) Uani d PD  .50 C 1 C
  H1C  .6478  .3269  .0473  .054 Uiso calc PR  .50 C 1 H
  H1D  .5913  .2951  -.0769  .054 Uiso calc PR  .50 C 1 H
  C2  .4058(7)  .3381(3)  -.0025(5)  .0424(13) Uani d PD  .50 C 1 C
  H2C  .3334  .3361  -.0744  .051 Uiso calc PR  .50 C 1 H
  H2D  .3849  .2924  .0426  .051 Uiso calc PR  .50 C 1 H
  C1'  .5356(11)  .3386(4)  -.0632(6)  .060(3) Uani d PD  .50 C 2 C
  H1'1  .6140  .2961  -.0572  .072 Uiso calc PR  .50 C 2 H
  H1'2  .4584  .3300  -.1316  .072 Uiso calc PR  .50 C 2 H
  C2'  .45228(9)  .33810(4)  .03847(6)  .060(2) Uani d PD  .50 C 2 C
  H2'1  .3699  .2975  .0283  .072 Uiso calc PR  .50 C 2 H
  H2'2  .5291  .3240  .1050  .072 Uiso calc PR  .50 C 2 H
  N3  .26267(9)  .25630(4)  .25372(6)  .0498(5) Uani d R 1 . . N
  N4  -.00596(9)  .38299(4)  -.01138(6)  .0389(4) Uani d R 1 . . N
  N5  .27505(9)  .50785(4)  .29361(6)  .0394(4) Uani d R 1 . . N
  C3  .16565(9)  .30319(4)  .25536(6)  .0287(4) Uani d R 1 . . C
  C4  -.00501(9)  .38372(4)  .08530(6)  .0253(4) Uani d R 1 . . C
  C5  .17078(9)  .46323(4)  .27407(6)  .0244(4) Uani d R 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
  Fe  .01747(18)  .02081(17)  .01704(17)  .000  .00366(12)  .000
  Cu  .0302(2)  .0345(2)  .0516(2)  -.00179(14)  .02375(17)  -.00465(15)
  K  .0278(3)  .0280(3)  .0234(3)  .000  .0059(2)  .000
  N1  .0316(9)  .0482(10)  .0372(9)  .0079(8)  .0121(7)  .0007(8)
  N2  .0443(11)  .0513(12)  .0546(12)  -.0135(9)  .0251(9)  -.0101(9)
  C1  .057(4)  .039(3)  .039(4)  .004(3)  .006(3)  -.007(3)
  C2  .044(3)  .035(3)  .048(3)  -.008(2)  .004(3)  -.007(2)
  C1'  .078(6)  .046(4)  .061(5)  -.017(4)  .028(4)  -.030(4)
  C2'  .063(5)  .048(3)  .073(5)  .012(3)  .021(4)  .026(3)
  N3  .0509(13)  .0523(12)  .0458(12)  .0251(11)  .0067(10)  -.0013(10)
  N4  .0381(11)  .0557(12)  .0234(9)  -.0018(8)  .0057(7)  -.0013(7)
  N5  .0347(10)  .0397(10)  .0446(11)  -.0113(8)  .0085(8)  -.0067(8)
  C3  .0296(10)  .0319(9)  .0248(9)  .0048(8)  .0044(8)  -.0002(7)
  C4  .0190(8)  .0310(9)  .0261(9)  -.0015(7)  .0040(7)  .0002(7)
  C5  .0244(9)  .0263(8)  .0231(8)  .0008(7)  .0059(7)  -.0002(6)
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
  Fe C3 6_556 1.9450(17) ?
  Fe C3 . 1.9450(17) ?
  Fe C5 . 1.9482(17) ?
  Fe C5 6_556 1.9482(16) ?
  Fe C4 . 1.9485(16) ?
  Fe C4 6_556 1.9485(16) ?
  Cu N2 . 1.9905(17) ?
  Cu N2 5_665 1.9905(17) ?
  Cu N1 . 1.9943(15) ?
  Cu N1 5_665 1.9943(16) ?
  K N3 4_454 2.8076(16) ?
  K N3 7 2.8076(16) ?
  K N4 . 2.8678(14) ?
  K N4 6 2.8678(14) ?
  K N5 2_564 3.2002(18) ?
  K N5 5_565 3.2002(18) ?
  K C5 2_564 3.3054(17) ?
  K C5 5_565 3.3054(17) ?
  N1 C1' . 1.461(6) ?
  N1 C1 . 1.481(6) ?
  N2 C2 . 1.450(5) ?
  N2 C2' . 1.478(3) ?
  C1 C2 . 1.487(7) ?
  C1' C2' . 1.477(7) ?
  N3 C3 . 1.140(2) ?
  N3 K 7 2.8076(16) ?
  N4 C4 . 1.147(2) ?
  N5 C5 . 1.154(2) ?
  N5 K 5_565 3.2002(18) ?
  C5 K 5_565 3.3054(17) ?