data_2014375
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2006
_journal_volume  62
_journal_page_first  m33
_journal_page_last  m36
_publ_section_title
;
A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex,
<i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-\m-iodo-
[bis(ethylenediamine)platinum(IV)]-\m-iodo] hydrogenphosphate
dihydrogenphosphate iodide trihydrate]
;
loop_
_publ_author_name
  'Matsushita, Nobuyuki'
_chemical_formula_moiety
  'C8 H32 I2 N8 Pt2 4+, H O4 P 2-, H2 O4 P -, I -, 3H2 O'
_chemical_formula_sum  'C8 H41 I3 N8 O11 P2 Pt2'
_chemical_formula_iupac  '[Pt2 I2 (C2 H8 N2)4] (H P O4) (H2 P O4) I, 3H2 O'
_chemical_formula_weight  1258.29
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  14.8080(10)
_cell_length_b  16.478(2)
_cell_length_c  11.7580(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.840(10)
_cell_angle_gamma  90.00
_cell_volume  2868.7(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  2.913
_diffrn_ambient_temperature  295
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
  Pt1 0.24608(2) 0.23848(2) 0.11758(3) 0.01726(10) Uani d . 1 . . Pt
  I1 0.26218(4) 0.21541(5) -0.10854(5) 0.02966(16) Uani d . 1 . . I
  I2 0.22630(4) 0.27170(4) 0.34001(5) 0.02638(15) Uani d . 1 . . I
  N11 0.3684(5) 0.2964(6) 0.1216(7) 0.0279(19) Uani d . 1 . . N
  H11A 0.4018 0.2787 0.1811 0.042 Uiso calc R 1 . . H
  H11B 0.3987 0.2858 0.0574 0.042 Uiso calc R 1 . . H
  N12 0.1970(5) 0.3517(5) 0.0769(7) 0.0226(17) Uani d . 1 . . N
  H12A 0.1610 0.3485 0.0147 0.034 Uiso calc R 1 . . H
  H12B 0.1641 0.3710 0.1347 0.034 Uiso calc R 1 . . H
  N13 0.2978(5) 0.1253(5) 0.1581(7) 0.0279(19) Uani d . 1 . . N
  H13A 0.3297 0.1060 0.0995 0.042 Uiso calc R 1 . . H
  H13B 0.3349 0.1292 0.2191 0.042 Uiso calc R 1 . . H
  N14 0.1240(5) 0.1767(5) 0.1140(7) 0.0289(19) Uani d . 1 . . N
  H14A 0.0941 0.1850 0.1790 0.043 Uiso calc R 1 . . H
  H14B 0.0893 0.1940 0.0554 0.043 Uiso calc R 1 . . H
  C11 0.3527(6) 0.3847(6) 0.1319(9) 0.030(2) Uani d . 1 . . C
  H11C 0.4063 0.4143 0.1100 0.045 Uiso calc R 1 . . H
  H11D 0.3391 0.3985 0.2101 0.045 Uiso calc R 1 . . H
  C12 0.2742(7) 0.4070(6) 0.0548(9) 0.030(2) Uani d . 1 . . C
  H12C 0.2564 0.4628 0.0688 0.045 Uiso calc R 1 . . H
  H12D 0.2920 0.4025 -0.0240 0.045 Uiso calc R 1 . . H
  C13 0.2220(7) 0.0690(7) 0.1835(10) 0.035(3) Uani d . 1 . . C
  H13C 0.2024 0.0764 0.2611 0.053 Uiso calc R 1 . . H
  H13D 0.2411 0.0131 0.1742 0.053 Uiso calc R 1 . . H
  C14 0.1456(7) 0.0888(7) 0.1005(9) 0.033(2) Uani d . 1 . . C
  H14C 0.1639 0.0777 0.0231 0.050 Uiso calc R 1 . . H
  H14D 0.0929 0.0560 0.1168 0.050 Uiso calc R 1 . . H
  Pt2 0.24131(2) 0.26796(2) 0.61942(3) 0.01899(10) Uani d . 1 . . Pt
  N21 0.1901(6) 0.3801(5) 0.6555(7) 0.0291(19) Uani d . 1 . . N
  H21A 0.1552 0.3974 0.5970 0.044 Uiso calc R 1 . . H
  H21B 0.1556 0.3772 0.7177 0.044 Uiso calc R 1 . . H
  N22 0.3599(5) 0.3307(6) 0.6089(7) 0.030(2) Uani d . 1 . . N
  H22A 0.3932 0.3236 0.6727 0.045 Uiso calc R 1 . . H
  H22B 0.3920 0.3128 0.5494 0.045 Uiso calc R 1 . . H
  N23 0.2920(5) 0.1555(5) 0.5836(7) 0.0266(18) Uani d . 1 . . N
  H23A 0.3254 0.1578 0.5204 0.040 Uiso calc R 1 . . H
  H23B 0.3276 0.1384 0.6415 0.040 Uiso calc R 1 . . H
  N24 0.1214(5) 0.2084(6) 0.6294(7) 0.029(2) Uani d . 1 . . N
  H24A 0.0907 0.2264 0.6899 0.044 Uiso calc R 1 . . H
  H24B 0.0879 0.2180 0.5664 0.044 Uiso calc R 1 . . H
  C21 0.2658(7) 0.4388(7) 0.6758(9) 0.035(2) Uani d . 1 . . C
  H21C 0.2455 0.4940 0.6626 0.052 Uiso calc R 1 . . H
  H21D 0.2884 0.4345 0.7534 0.052 Uiso calc R 1 . . H
  C22 0.3376(7) 0.4165(7) 0.5940(9) 0.035(3) Uani d . 1 . . C
  H22C 0.3164 0.4262 0.5168 0.053 Uiso calc R 1 . . H
  H22D 0.3909 0.4495 0.6078 0.053 Uiso calc R 1 . . H
  C23 0.2150(7) 0.0978(7) 0.5663(9) 0.036(3) Uani d . 1 . . C
  H23C 0.1953 0.0990 0.4873 0.054 Uiso calc R 1 . . H
  H23D 0.2347 0.0431 0.5841 0.054 Uiso calc R 1 . . H
  C24 0.1381(7) 0.1205(7) 0.6409(9) 0.033(2) Uani d . 1 . . C
  H24C 0.0844 0.0904 0.6185 0.050 Uiso calc R 1 . . H
  H24D 0.1527 0.1073 0.7195 0.050 Uiso calc R 1 . . H
  P1 0.49573(14) 0.17724(16) 0.3806(2) 0.0210(5) Uani d . 1 . . P
  O11 0.4898(5) 0.2423(5) 0.2894(6) 0.0313(17) Uani d . 1 . . O
  O12 0.5800(4) 0.1235(4) 0.3707(6) 0.0269(15) Uani d . 1 . . O
  O13 0.4934(5) 0.2164(5) 0.4980(6) 0.0304(16) Uani d . 1 . . O
  O14 0.4097(4) 0.1208(5) 0.3699(7) 0.0321(17) Uani d . 1 . . O
  H14 0.4256 0.0740 0.3575 0.048 Uiso calc R 1 . . H
  P2 0.49812(16) 0.06835(17) 0.7320(2) 0.0257(5) Uani d . 1 . . P
  O21 0.4966(5) 0.0655(5) 0.8595(6) 0.042(2) Uani d . 1 . . O
  O22 0.5831(4) 0.0303(5) 0.6829(7) 0.0353(18) Uani d . 1 . . O
  O23 0.4124(4) 0.0282(5) 0.6784(8) 0.0378(19) Uani d . 1 . . O
  H23 0.4214 -0.0206 0.6701 0.057 Uiso calc R 1 . . H
  O24 0.4909(5) 0.1598(4) 0.6972(6) 0.0348(17) Uani d . 1 . . O
  H24 0.5039 0.1648 0.6301 0.052 Uiso calc R 1 . . H
  O31 0.3738(5) 0.0072(5) 0.0100(7) 0.0376(18) Uani d . 1 . . O
  H31A 0.4158 -0.0160 0.0428 0.056 Uiso calc R 1 . . H
  H31B 0.4028 0.0301 -0.0394 0.056 Uiso calc R 1 . . H
  O32 0.4986(5) 0.2135(7) -0.0319(7) 0.053(3) Uani d . 1 . . O
  H32A 0.5082 0.1645 -0.0326 0.080 Uiso calc R 1 . . H
  H32B 0.4981 0.2389 -0.0919 0.080 Uiso calc R 1 . . H
  O33 0.5110(7) 0.6022(7) 0.6098(9) 0.072(3) Uani d . 1 . . O
  H33A 0.5337 0.6451 0.6310 0.108 Uiso calc R 1 . . H
  H33B 0.4604 0.5923 0.6335 0.108 Uiso calc R 1 . . H
  I3 0.49447(5) 0.40902(5) 0.85113(7) 0.0405(2) Uani d . 1 . . I
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
  Pt1 0.01723(16) 0.0197(2) 0.01485(16) 0.00014(13) -0.00006(11) 0.00041(15)
  I1 0.0309(3) 0.0406(4) 0.0174(3) 0.0016(3) 0.0000(2) -0.0048(3)
  I2 0.0305(3) 0.0313(4) 0.0175(3) 0.0009(3) 0.0041(2) -0.0011(3)
  N11 0.020(4) 0.042(6) 0.021(4) -0.010(4) -0.002(3) 0.000(4)
  N12 0.021(3) 0.022(4) 0.025(4) 0.006(3) 0.003(3) 0.001(4)
  N13 0.037(4) 0.021(5) 0.026(4) 0.005(4) -0.008(3) 0.004(4)
  N14 0.029(4) 0.031(5) 0.027(4) -0.005(4) -0.005(3) 0.007(4)
  C11 0.032(5) 0.025(6) 0.033(5) -0.014(4) 0.003(4) 0.005(5)
  C12 0.045(6) 0.012(5) 0.035(6) 0.000(4) 0.001(5) 0.002(4)
  C13 0.048(6) 0.018(6) 0.040(6) 0.004(5) -0.004(5) 0.006(5)
  C14 0.044(6) 0.024(6) 0.033(6) -0.016(5) 0.003(5) 0.006(5)
  Pt2 0.01904(16) 0.0209(2) 0.01713(17) 0.00175(14) 0.00182(12) -0.00117(16)
  N21 0.040(5) 0.022(5) 0.026(4) 0.004(4) 0.006(4) 0.005(4)
  N22 0.024(4) 0.033(5) 0.033(5) -0.006(4) -0.001(3) -0.005(4)
  N23 0.034(4) 0.024(5) 0.022(4) 0.003(4) 0.005(3) 0.001(4)
  N24 0.017(3) 0.041(6) 0.030(4) 0.001(4) 0.000(3) 0.000(4)
  C21 0.047(6) 0.023(6) 0.034(6) -0.007(5) 0.006(5) -0.005(5)
  C22 0.044(6) 0.030(6) 0.032(6) -0.016(5) -0.002(5) 0.001(5)
  C23 0.043(6) 0.030(6) 0.034(6) -0.003(5) 0.007(5) -0.017(5)
  C24 0.041(6) 0.035(7) 0.025(5) -0.014(5) 0.010(4) 0.000(5)
  P1 0.0211(10) 0.0214(13) 0.0204(11) -0.0012(9) -0.0006(9) 0.0018(10)
  O11 0.037(4) 0.037(5) 0.020(3) -0.006(3) -0.002(3) 0.010(3)
  O12 0.017(3) 0.026(4) 0.038(4) 0.003(3) 0.002(3) 0.000(3)
  O13 0.039(4) 0.033(4) 0.020(3) -0.003(3) -0.001(3) -0.006(3)
  O14 0.019(3) 0.030(4) 0.048(5) -0.001(3) -0.003(3) -0.005(4)
  P2 0.0275(12) 0.0224(14) 0.0273(13) 0.0001(10) 0.0025(10) 0.0052(11)
  O21 0.044(4) 0.046(5) 0.035(4) 0.007(4) 0.002(3) 0.018(4)
  O22 0.029(3) 0.033(4) 0.044(4) -0.002(3) 0.013(3) -0.009(4)
  O23 0.028(3) 0.020(4) 0.065(5) 0.000(3) -0.005(3) 0.001(4)
  O24 0.063(5) 0.018(4) 0.024(4) -0.001(4) 0.001(3) 0.003(3)
  O31 0.036(4) 0.042(5) 0.035(4) 0.005(4) 0.006(3) 0.005(4)
  O32 0.044(4) 0.072(7) 0.044(5) 0.003(5) 0.003(4) -0.021(5)
  O33 0.076(7) 0.058(7) 0.082(8) -0.004(6) 0.006(6) -0.021(6)
  I3 0.0349(4) 0.0438(5) 0.0427(4) 0.0020(3) 0.0010(3) -0.0134(4)
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
  Pt1 I1 . 2.6997(7) y
  Pt1 I2 . 2.6921(7) y
  Pt1 N11 . 2.048(7) y
  Pt1 N12 . 2.055(8) y
  Pt1 N13 . 2.069(8) y
  Pt1 N14 . 2.075(8) y
  Pt2 N21 . 2.044(8) y
  Pt2 N22 . 2.043(8) y
  Pt2 N23 . 2.045(8) y
  Pt2 N24 . 2.034(8) y
  Pt2 I1 1_556 3.3239(8) y
  Pt2 I2 . 3.2902(7) y
  N11 C11 . 1.478(13) no
  N11 H11A . 0.9000 ?
  N11 H11B . 0.9000 ?
  N12 C12 . 1.490(12) no
  N12 H12A . 0.9000 ?
  N12 H12B . 0.9000 ?
  N13 C13 . 1.489(13) no
  N13 H13A . 0.9000 ?
  N13 H13B . 0.9000 ?
  N14 C14 . 1.492(14) no
  N14 H14A . 0.9000 ?
  N14 H14B . 0.9000 ?
  C11 C12 . 1.509(13) no
  C11 H11C . 0.9700 ?
  C11 H11D . 0.9700 ?
  C12 H12C . 0.9700 ?
  C12 H12D . 0.9700 ?
  C13 C14 . 1.520(14) no
  C13 H13C . 0.9700 ?
  C13 H13D . 0.9700 ?
  C14 H14C . 0.9700 ?
  C14 H14D . 0.9700 ?
  N21 C21 . 1.497(13) no
  N21 H21A . 0.9000 ?
  N21 H21B . 0.9000 ?
  N22 C22 . 1.462(14) no
  N22 H22A . 0.9000 ?
  N22 H22B . 0.9000 ?
  N23 C23 . 1.496(13) no
  N23 H23A . 0.9000 ?
  N23 H23B . 0.9000 ?
  N24 C24 . 1.475(14) no
  N24 H24A . 0.9000 ?
  N24 H24B . 0.9000 ?
  C21 C22 . 1.490(14) no
  C21 H21C . 0.9700 ?
  C21 H21D . 0.9700 ?
  C22 H22C . 0.9700 ?
  C22 H22D . 0.9700 ?
  C23 C24 . 1.496(14) no
  C23 H23C . 0.9700 ?
  C23 H23D . 0.9700 ?
  C24 H24C . 0.9700 ?
  C24 H24D . 0.9700 ?
  P1 O11 . 1.518(7) y
  P1 O12 . 1.537(6) y
  P1 O13 . 1.524(7) y
  P1 O14 . 1.582(7) y
  O14 H14 . 0.8200 ?
  P2 O21 . 1.500(8) y
  P2 O22 . 1.527(7) y
  P2 O23 . 1.556(7) y
  P2 O24 . 1.565(8) y
  O23 H23 . 0.8200 ?
  O24 H24 . 0.8200 ?
  O31 H31B . 0.8200 ?
  O31 H31A . 0.8201 ?
  O32 H32B . 0.8200 ?
  O32 H32A . 0.8205 ?
  O33 H33B . 0.8200 ?
  O33 H33A . 0.8201 ?