#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011442.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2011442
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e447
_journal_page_last  e447
_publ_section_title
;
A zigzag-type one-dimensional coordination polymer formed by
(2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II)
and copper nitrate
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Song, Rita'
  'Kim, Kwan Mook'
  'Sohn, Youn Soo'
_chemical_formula_moiety  'C17 H28 Cu1 N4 O9 Pt1 2+, 2N1 O3 1-'
_chemical_formula_sum  'C17 H28 Cu1 N6 O15 Pt1'
_chemical_formula_iupac  '[Cu Pt (C6 H4 N O2)2 (C5 H14 N2) (H2 O)3] (N O3)2'
_chemical_formula_weight  819.12
_symmetry_cell_setting  monoclinic
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  10.105(3)
_cell_length_b  18.133(3)
_cell_length_c  15.590(5)
_cell_angle_alpha  90.00
_cell_angle_beta  103.29(2)
_cell_angle_gamma  90.00
_cell_volume  2780.1(12)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.957
_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
  Pt  .72126(2)  .788103(11)  .956049(13)  .02456(9) Uani d . 1 . . Pt
  Cu  .28860(7)  .98180(4) 1.33338(5)  .02985(17) Uani d . 1 . . Cu
  O1  .3289(4)  .5315(2) 1.1042(3)  .0383(10) Uani d . 1 . . O
  O2  .2006(5)  .5370(3)  .9669(3)  .0484(13) Uani d . 1 . . O
  O3  .3959(5)  .9309(2) 1.2660(3)  .0361(10) Uani d . 1 . . O
  O4  .2976(6) 1.0010(3) 1.1531(4)  .0647(16) Uani d . 1 . . O
  O5  .1403(5)  .9089(2) 1.2935(3)  .0394(10) Uani d . 1 . . O
  O6  .4161(5) 1.0662(3) 1.3502(4)  .0511(13) Uani d . 1 . . O
  O7  .4099(5)  .9195(2) 1.4553(3)  .0393(10) Uani d . 1 . . O
  N1  .5977(5)  .7007(3)  .9657(3)  .0291(11) Uani d . 1 . . N
  H1A  .6057  .7476  .9852  .035 Uiso calc R 1 . . H
  H1B  .6610  .6940  .9342  .035 Uiso calc R 1 . . H
  N2  .6148(5)  .8446(3) 1.0310(3)  .0290(11) Uani d . 1 . . N
  H2A  .6910  .8627 1.0183  .035 Uiso calc R 1 . . H
  H2B  .5995  .8002 1.0048  .035 Uiso calc R 1 . . H
  N3  .8181(5)  .7281(3)  .8790(3)  .0310(11) Uani d . 1 . . N
  N4  .8378(5)  .8797(3)  .9522(3)  .0307(11) Uani d . 1 . . N
  C1  .4761(7)  .6939(4)  .9107(4)  .0355(14) Uani d . 1 . . C
  H1  .4556  .7228  .8602  .043 Uiso calc R 1 . . H
  C2  .3799(6)  .6452(4)  .9266(4)  .0366(14) Uani d . 1 . . C
  H2  .2956  .6414  .8873  .044 Uiso calc R 1 . . H
  C3  .4100(6)  .6019(3) 1.0016(4)  .0288(12) Uani d . 1 . . C
  C4  .5374(6)  .6075(3) 1.0563(4)  .0358(14) Uani d . 1 . . C
  H4  .5611  .5783 1.1066  .043 Uiso calc R 1 . . H
  C5  .6292(6)  .6565(3) 1.0361(4)  .0359(14) Uani d . 1 . . C
  H5  .7160  .6590 1.0726  .043 Uiso calc R 1 . . H
  C6  .3026(6)  .5525(3) 1.0250(4)  .0318(13) Uani d . 1 . . C
  C7  .6409(6)  .8334(3) 1.1190(4)  .0337(13) Uani d . 1 . . C
  H7  .7112  .8019 1.1452  .040 Uiso calc R 1 . . H
  C8  .5659(7)  .8674(3) 1.1703(4)  .0362(14) Uani d . 1 . . C
  H8  .5865  .8600 1.2309  .043 Uiso calc R 1 . . H
  C9  .4592(6)  .9128(3) 1.1310(4)  .0286(12) Uani d . 1 . . C
  C10  .4323(7)  .9234(3) 1.0416(4)  .0352(14) Uani d . 1 . . C
  H10  .3609  .9536 1.0139  .042 Uiso calc R 1 . . H
  C11  .5125(6)  .8887(3)  .9934(4)  .0336(13) Uani d . 1 . . C
  H11  .4946  .8963  .9328  .040 Uiso calc R 1 . . H
  C12  .3754(6)  .9522(3) 1.1861(4)  .0331(13) Uani d . 1 . . C
  C13  .9640(6)  .7410(3)  .8849(4)  .0347(14) Uani d . 1 . . C
  H13A  .9922  .7106  .8412  .042 Uiso calc R 1 . . H
  H13B 1.0146  .7249  .9424  .042 Uiso calc R 1 . . H
  C14 1.0031(6)  .8211(3)  .8714(4)  .0355(14) Uani d . 1 . . C
  C15  .9831(6)  .8697(3)  .9473(4)  .0368(14) Uani d . 1 . . C
  H15A 1.0331  .8483 1.0022  .044 Uiso calc R 1 . . H
  H15B 1.0221  .9178  .9415  .044 Uiso calc R 1 . . H
  C16 1.1574(8)  .8195(5)  .8754(7)  .064(2) Uani d . 1 . . C
  H16A 1.1883  .8685  .8672  .097 Uiso calc R 1 . . H
  H16B 1.1745  .7880  .8297  .097 Uiso calc R 1 . . H
  H16C 1.2051  .8011  .9317  .097 Uiso calc R 1 . . H
  C17  .9257(9)  .8513(4)  .7833(5)  .054(2) Uani d . 1 . . C
  H17A  .9526  .9014  .7772  .081 Uiso calc R 1 . . H
  H17B  .8299  .8495  .7805  .081 Uiso calc R 1 . . H
  H17C  .9457  .8220  .7365  .081 Uiso calc R 1 . . H
  N5  .1528(7)  .0299(4)  .8240(4)  .0517(16) Uani d . 1 . . N
  N6  .8329(11)  .2478(4)  .8557(7)  .094(3) Uani d . 1 . . N
  O8  .1134(6)  .0335(4)  .7424(3)  .0653(16) Uani d . 1 . . O
  O9  .2581(7)  -.0041(4)  .8548(5)  .081(2) Uani d . 1 . . O
  O10  .0857(8)  .0594(5)  .8702(4)  .098(3) Uani d . 1 . . O
  O11  .8497(13)  .2960(4)  .9061(6)  .139(5) Uani d . 1 . . O
  O12  .7950(12)  .1886(5)  .8507(8)  .158(5) Uani d . 1 . . O
  O13  .8774(12)  .2605(9)  .7898(8)  .155(5) Uani d . 1 . . O
  OW1  .6567(6)  .0487(3)  .3034(4)  .0654(15) Uani d . 1 . . O
  OW2  .6303(9)  .2089(4)  .2788(6)  .097(2) Uani d . 1 . . O
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
  Pt  .02856(14)  .02250(13)  .02683(14)  -.00271(8)  .01506(10)  -.00061(8)
  Cu  .0335(4)  .0284(4)  .0316(4)  .0068(3)  .0156(3)  -.0029(3)
  O1  .035(2)  .047(3)  .034(2)  -.013(2)  .013(2)  .0088(19)
  O2  .037(3)  .066(3)  .041(3)  -.023(2)  .007(2)  .009(2)
  O3  .044(3)  .035(2)  .034(2)  .0094(19)  .018(2)  -.0025(18)
  O4  .080(4)  .066(3)  .056(3)  .042(3)  .030(3)  .014(3)
  O5  .041(3)  .040(2)  .039(2)  -.001(2)  .012(2)  -.0031(19)
  O6  .053(3)  .037(3)  .069(3)  -.006(2)  .027(3)  -.011(2)
  O7  .045(3)  .034(2)  .036(2)  .007(2)  .004(2)  -.0033(18)
  N1  .035(3)  .028(2)  .031(3)  -.005(2)  .021(2)  -.002(2)
  N2  .030(3)  .026(2)  .036(3)  -.002(2)  .017(2)  .001(2)
  N3  .034(3)  .027(2)  .039(3)  -.008(2)  .023(2)  -.007(2)
  N4  .033(3)  .025(2)  .038(3)  -.003(2)  .017(2)  -.001(2)
  C1  .037(4)  .041(3)  .029(3)  -.007(3)  .009(3)  .007(3)
  C2  .029(3)  .046(4)  .033(3)  -.008(3)  .003(3)  .008(3)
  C3  .028(3)  .029(3)  .034(3)  -.002(2)  .016(3)  .001(2)
  C4  .034(3)  .037(3)  .036(3)  -.005(3)  .007(3)  .010(3)
  C5  .026(3)  .036(3)  .045(4)  -.006(2)  .006(3)  .011(3)
  C6  .032(3)  .034(3)  .033(3)  -.007(3)  .014(3)  .001(3)
  C7  .036(3)  .037(3)  .031(3)  .011(3)  .014(3)  .006(3)
  C8  .045(4)  .038(3)  .030(3)  .010(3)  .017(3)  .003(3)
  C9  .034(3)  .029(3)  .027(3)  .000(2)  .015(2)  -.002(2)
  C10  .033(3)  .039(3)  .035(3)  .004(3)  .013(3)  .003(3)
  C11  .039(3)  .038(3)  .027(3)  .001(3)  .012(3)  -.002(2)
  C12  .032(3)  .030(3)  .041(4)  .008(3)  .016(3)  .000(3)
  C13  .033(3)  .031(3)  .044(4)  .002(3)  .017(3)  -.004(3)
  C14  .032(3)  .033(3)  .047(4)  -.006(3)  .021(3)  -.001(3)
  C15  .036(3)  .032(3)  .044(4)  -.005(3)  .011(3)  -.003(3)
  C16  .042(4)  .049(4)  .113(7)  -.011(4)  .042(5)  -.008(5)
  C17  .079(6)  .050(4)  .039(4)  -.003(4)  .025(4)  .007(3)
  N5  .048(4)  .060(4)  .044(4)  -.022(3)  .003(3)  .001(3)
  N6  .118(8)  .045(4)  .085(6)  -.014(5)  -.044(6)  .015(4)
  O8  .052(3)  .100(5)  .041(3)  .019(3)  .006(3)  -.002(3)
  O9  .065(4)  .072(4)  .090(5)  -.013(3)  -.018(4)  .029(4)
  O10  .085(5)  .159(7)  .053(4)  -.026(5)  .022(4)  -.040(4)
  O11  .243(13)  .067(5)  .073(5)  .011(6)  -.032(7)  -.015(4)
  O12  .172(11)  .077(6)  .190(11)  -.034(7)  -.030(9)  -.004(7)
  O13  .113(8)  .238(14)  .101(8)  -.005(9)  -.002(7)  .023(9)
  OW1  .050(3)  .068(4)  .081(4)  .001(3)  .022(3)  -.004(3)
  OW2  .091(6)  .100(6)  .099(6)  -.014(4)  .019(5)  .020(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
  Pt N3 . 2.031(5) ?
  Pt N2 . 2.037(5) ?
  Pt N4 . 2.044(5) ?
  Pt N1 . 2.044(5) ?
  Cu O3 . 1.912(4) ?
  Cu O1 2_557 1.924(4) ?
  Cu O6 . 1.978(5) ?
  Cu O5 . 1.988(5) ?
  Cu O7 . 2.306(4) ?
  O1 C6 . 1.260(7) ?
  O1 Cu 2_547 1.924(4) ?
  O2 C6 . 1.239(7) ?
  O3 C12 . 1.275(7) ?
  O4 C12 . 1.218(8) ?
  N1 C1 . 1.333(8) ?
  N1 C5 . 1.338(8) ?
  N2 C11 . 1.332(8) ?
  N2 C7 . 1.351(7) ?
  N3 C13 . 1.476(8) ?
  N4 C15 . 1.500(8) ?
  C1 C2 . 1.377(8) ?
  C2 C3 . 1.382(8) ?
  C3 C4 . 1.375(9) ?
  C3 C6 . 1.516(8) ?
  C4 C5 . 1.372(8) ?
  C7 C8 . 1.368(8) ?
  C8 C9 . 1.383(9) ?
  C9 C10 . 1.371(8) ?
  C9 C12 . 1.516(8) ?
  C10 C11 . 1.377(8) ?
  C13 C14 . 1.531(9) ?
  C14 C17 . 1.518(10) ?
  C14 C15 . 1.525(9) ?
  C14 C16 . 1.546(9) ?
  N5 O10 . 1.220(9) ?
  N5 O9 . 1.228(9) ?
  N5 O8 . 1.244(8) ?
  N6 O12 . 1.136(12) ?
  N6 O11 . 1.161(11) ?
  N6 O13 . 1.235(15) ?