#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010728.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_2010728
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  293
_journal_page_last  295
_publ_section_title
;
(2,2'-Bipyridine-\k^2^N)bis[N-(2-pyridyl-\kN)-\p-toluenesulfonamido-\kN]
zinc(II)
;
loop_
_publ_author_name
  'Cabaleiro, Santiago'
  "Castro, Jes\'us"
  'Romero, Jaime'
  "Garc\'ia-V\'azquez, Jos\'e A."
  'Sousa, Antonio'
_chemical_formula_moiety  'C34 H30 N6 O4 S2 Zn'
_chemical_formula_sum  'C34 H30 N6 O4 S2 Zn'
_chemical_formula_iupac  '[Zn (C12 H11 N2 O2 S)2 (C10 H8 N2 )]'
_chemical_formula_weight  716.13
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
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  10.8157(7)
_cell_length_b  21.6466(6)
_cell_length_c  14.354(2)
_cell_angle_alpha  90.00
_cell_angle_beta  95.114(8)
_cell_angle_gamma  90.00
_cell_volume  3347.3(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.421
_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
  Zn  .86020(4)  .63768(2)  .31084(3)  .04617(14) Uani d . 1 . . Zn
  S1 1.06592(8)  .77267(4)  .21262(6)  .0564(2) Uani d . 1 . . S
  O11 1.1379(3)  .82034(12)  .2620(2)  .0786(8) Uani d . 1 . . O
  O12  .9607(2)  .79283(14)  .15122(19)  .0785(8) Uani d . 1 . . O
  S2 1.01866(8)  .48652(4)  .28286(7)  .0576(2) Uani d . 1 . . S
  O21 1.0251(3)  .47998(15)  .38255(19)  .0855(9) Uani d . 1 . . O
  O22  .9826(3)  .43263(11)  .2285(2)  .0865(9) Uani d . 1 . . O
  N11 1.0121(2)  .65668(11)  .39838(17)  .0440(6) Uani d . 1 . . N
  N12 1.0152(2)  .72193(12)  .27819(17)  .0487(6) Uani d . 1 . . N
  C11 1.0559(4)  .63081(17)  .4793(2)  .0588(9) Uani d . 1 . . C
  H11 1.0101  .5995  .5042  .071 Uiso calc R 1 . . H
  C12 1.1649(4)  .6485(2)  .5266(3)  .0701(11) Uani d . 1 . . C
  H12 1.1945  .6291  .5820  .084 Uiso calc R 1 . . H
  C13 1.2305(4)  .6964(2)  .4896(3)  .0673(10) Uani d . 1 . . C
  H13 1.3043  .7102  .5210  .081 Uiso calc R 1 . . H
  C14 1.1869(3)  .72348(16)  .4071(2)  .0552(8) Uani d . 1 . . C
  H14 1.2310  .7554  .3822  .066 Uiso calc R 1 . . H
  C15 1.0759(3)  .70291(14)  .3606(2)  .0427(7) Uani d . 1 . . C
  C16 1.1673(3)  .73517(18)  .1400(2)  .0586(9) Uani d . 1 . . C
  C17 1.1277(4)  .6833(2)  .0908(3)  .0766(12) Uani d . 1 . . C
  H17 1.0496  .6669  .0978  .092 Uiso calc R 1 . . H
  C18 1.2043(5)  .6554(2)  .0309(3)  .0932(14) Uani d . 1 . . C
  H18 1.1766  .6202  -.0019  .112 Uiso calc R 1 . . H
  C19 1.3208(5)  .6784(3)  .0184(3)  .0912(15) Uani d . 1 . . C
  C110 1.3574(4)  .7297(3)  .0676(4)  .0959(16) Uani d . 1 . . C
  H110 1.4357  .7459  .0606  .115 Uiso calc R 1 . . H
  C111 1.2830(4)  .7591(2)  .1280(3)  .0806(12) Uani d . 1 . . C
  H111 1.3109  .7945  .1600  .097 Uiso calc R 1 . . H
  C112 1.4026(6)  .6466(3)  -.0470(4)  .138(3) Uani d . 1 . . C
  H11A 1.4496  .6769  -.0775  .207 Uiso calc R 1 . . H
  H11B 1.3518  .6236  -.0932  .207 Uiso calc R 1 . . H
  H11C 1.4583  .6189  -.0119  .207 Uiso calc R 1 . . H
  N21  .8292(2)  .61491(12)  .16982(17)  .0450(6) Uani d . 1 . . N
  N22  .9325(3)  .54432(12)  .25828(18)  .0504(6) Uani d . 1 . . N
  C21  .7752(3)  .63849(17)  .0899(2)  .0592(9) Uani d . 1 . . C
  H21  .7359  .6766  .0916  .071 Uiso calc R 1 . . H
  C22  .7759(4)  .6088(2)  .0066(3)  .0776(12) Uani d . 1 . . C
  H22  .7377  .6261  -.0480  .093 Uiso calc R 1 . . H
  C23  .8348(4)  .5523(2)  .0052(3)  .0874(14) Uani d . 1 . . C
  H23  .8372  .5313  -.0511  .105 Uiso calc R 1 . . H
  C24  .8896(4)  .5271(2)  .0856(3)  .0716(11) Uani d . 1 . . C
  H24  .9287  .4889  .0845  .086 Uiso calc R 1 . . H
  C25  .8862(3)  .55931(15)  .1693(2)  .0484(7) Uani d . 1 . . C
  C26 1.1695(3)  .50495(15)  .2542(2)  .0483(7) Uani d . 1 . . C
  C27 1.2504(3)  .45805(17)  .2356(2)  .0549(8) Uani d . 1 . . C
  H27 1.2243  .4171  .2359  .066 Uiso calc R 1 . . H
  C28 1.3692(3)  .4721(2)  .2169(2)  .0641(10) Uani d . 1 . . C
  H28 1.4228  .4402  .2042  .077 Uiso calc R 1 . . H
  C29 1.4117(4)  .5325(2)  .2162(3)  .0677(10) Uani d . 1 . . C
  C210 1.3304(4)  .5786(2)  .2365(3)  .0748(11) Uani d . 1 . . C
  H210 1.3572  .6194  .2374  .090 Uiso calc R 1 . . H
  C211 1.2103(4)  .56568(17)  .2553(3)  .0657(10) Uani d . 1 . . C
  H211 1.1569  .5975  .2686  .079 Uiso calc R 1 . . H
  C212 1.5429(4)  .5466(3)  .1943(4)  .1020(17) Uani d . 1 . . C
  H21A 1.5534  .5905  .1894  .153 Uiso calc R 1 . . H
  H21B 1.5583  .5274  .1361  .153 Uiso calc R 1 . . H
  H21C 1.6004  .5307  .2434  .153 Uiso calc R 1 . . H
  N31  .7220(2)  .70561(12)  .31843(18)  .0486(6) Uani d . 1 . . N
  N32  .7424(2)  .59677(12)  .40280(18)  .0483(6) Uani d . 1 . . N
  C31  .7137(4)  .75811(17)  .2697(3)  .0618(9) Uani d . 1 . . C
  H31  .7755  .7673  .2307  .074 Uiso calc R 1 . . H
  C32  .6178(4)  .79907(19)  .2747(3)  .0770(12) Uani d . 1 . . C
  H32  .6142  .8352  .2394  .092 Uiso calc R 1 . . H
  C33  .5276(4)  .7857(2)  .3327(3)  .0881(14) Uani d . 1 . . C
  H33  .4617  .8128  .3375  .106 Uiso calc R 1 . . H
  C34  .5353(4)  .73187(19)  .3839(3)  .0746(12) Uani d . 1 . . C
  H34  .4750  .7223  .4238  .090 Uiso calc R 1 . . H
  C35  .5743(3)  .61491(19)  .4954(2)  .0606(9) Uani d . 1 . . C
  H35  .5108  .6405  .5120  .073 Uiso calc R 1 . . H
  C36  .5956(4)  .55891(19)  .5385(2)  .0653(10) Uani d . 1 . . C
  H36  .5460  .5460  .5845  .078 Uiso calc R 1 . . H
  C37  .6898(4)  .52225(19)  .5137(3)  .0663(10) Uani d . 1 . . C
  H37  .7048  .4841  .5424  .080 Uiso calc R 1 . . H
  C38  .7620(3)  .54237(17)  .4460(2)  .0599(9) Uani d . 1 . . C
  H38  .8267  .5175  .4296  .072 Uiso calc R 1 . . H
  C39  .6495(3)  .63294(15)  .4259(2)  .0479(7) Uani d . 1 . . C
  C310  .6341(3)  .69209(15)  .3753(2)  .0498(7) 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
  Zn  .0440(2)  .0516(3)  .0436(2)  .00204(19)  .00753(16)  -.00034(19)
  S1  .0548(5)  .0567(5)  .0582(5)  -.0068(4)  .0075(4)  .0169(4)
  O11  .095(2)  .0531(15)  .089(2)  -.0250(15)  .0133(16)  .0048(14)
  O12  .0586(16)  .102(2)  .0757(17)  .0103(15)  .0084(13)  .0426(16)
  S2  .0565(5)  .0494(5)  .0687(6)  .0025(4)  .0154(4)  .0154(4)
  O21  .0732(18)  .114(2)  .0730(17)  .0265(17)  .0280(14)  .0503(17)
  O22  .0753(19)  .0416(14)  .142(3)  -.0106(13)  .0084(19)  -.0008(15)
  N11  .0493(14)  .0421(13)  .0417(13)  -.0006(11)  .0099(11)  .0044(10)
  N12  .0483(15)  .0559(16)  .0416(14)  -.0081(13)  .0022(11)  .0074(12)
  C11  .065(2)  .062(2)  .0507(18)  .0076(18)  .0084(16)  .0133(16)
  C12  .074(3)  .089(3)  .0469(19)  .019(2)  .0021(18)  .0081(19)
  C13  .058(2)  .090(3)  .052(2)  .004(2)  -.0069(17)  -.012(2)
  C14  .0506(19)  .059(2)  .0550(19)  -.0099(16)  .0000(15)  -.0039(16)
  C15  .0460(17)  .0408(15)  .0420(16)  -.0017(13)  .0072(13)  -.0036(12)
  C16  .053(2)  .070(2)  .0530(19)  -.0063(17)  .0079(15)  .0170(17)
  C17  .072(3)  .082(3)  .078(3)  -.013(2)  .024(2)  .004(2)
  C18  .108(4)  .089(3)  .086(3)  .002(3)  .024(3)  -.002(3)
  C19  .090(4)  .108(4)  .081(3)  .017(3)  .035(3)  .025(3)
  C110  .066(3)  .118(4)  .109(4)  .002(3)  .039(3)  .026(3)
  C111  .063(2)  .091(3)  .089(3)  -.018(2)  .015(2)  .015(3)
  C112  .139(5)  .166(6)  .119(5)  .059(5)  .069(4)  .025(4)
  N21  .0425(14)  .0459(14)  .0473(14)  -.0011(11)  .0083(11)  .0003(11)
  N22  .0545(16)  .0510(15)  .0465(14)  .0070(13)  .0095(12)  .0009(12)
  C21  .059(2)  .061(2)  .058(2)  .0075(18)  .0053(16)  .0087(17)
  C22  .081(3)  .100(3)  .051(2)  .017(3)  .0006(19)  .005(2)
  C23  .101(3)  .109(4)  .051(2)  .027(3)  -.003(2)  -.023(2)
  C24  .077(3)  .075(3)  .062(2)  .019(2)  .003(2)  -.019(2)
  C25  .0454(17)  .0494(18)  .0512(18)  -.0033(14)  .0093(14)  -.0044(14)
  C26  .060(2)  .0448(17)  .0413(16)  .0015(15)  .0103(14)  .0042(13)
  C27  .061(2)  .0514(19)  .0524(19)  .0090(16)  .0055(16)  -.0049(15)
  C28  .056(2)  .080(3)  .057(2)  .015(2)  .0079(17)  -.0042(19)
  C29  .059(2)  .093(3)  .052(2)  -.008(2)  .0090(17)  .003(2)
  C210  .071(3)  .060(2)  .097(3)  -.013(2)  .025(2)  .003(2)
  C211  .073(3)  .0446(19)  .083(3)  .0013(18)  .024(2)  .0018(18)
  C212  .062(3)  .144(5)  .102(4)  -.021(3)  .024(2)  -.002(3)
  N31  .0480(15)  .0497(15)  .0493(15)  .0004(12)  .0111(12)  -.0009(12)
  N32  .0453(14)  .0518(15)  .0489(14)  -.0004(12)  .0102(12)  .0032(12)
  C31  .067(2)  .055(2)  .066(2)  .0086(18)  .0173(18)  .0109(17)
  C32  .089(3)  .060(2)  .086(3)  .021(2)  .024(2)  .016(2)
  C33  .082(3)  .073(3)  .113(4)  .034(2)  .033(3)  .012(3)
  C34  .069(3)  .067(2)  .093(3)  .016(2)  .036(2)  .009(2)
  C35  .058(2)  .076(2)  .0503(19)  -.0033(18)  .0181(16)  -.0031(17)
  C36  .065(2)  .084(3)  .0482(19)  -.011(2)  .0130(17)  .0106(19)
  C37  .066(2)  .073(2)  .060(2)  -.004(2)  .0034(18)  .0218(19)
  C38  .059(2)  .059(2)  .063(2)  .0029(17)  .0092(17)  .0147(17)
  C39  .0451(16)  .0551(19)  .0442(16)  -.0043(15)  .0077(13)  -.0082(14)
  C310  .0485(18)  .0503(18)  .0523(18)  .0011(15)  .0127(14)  -.0044(14)
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
  Zn N11 . 2.020(3) y
  Zn N21 . 2.082(3) y
  Zn N31 . 2.106(3) y
  Zn N32 . 2.109(3) y
  Zn N22 . 2.317(3) y
  Zn N12 . 2.549(3) y
  S1 O11 . 1.440(3) ?
  S1 O12 . 1.443(3) ?
  S1 N12 . 1.576(3) y
  S1 C16 . 1.775(4) y
  S2 O21 . 1.434(3) ?
  S2 O22 . 1.438(3) ?
  S2 N22 . 1.581(3) y
  S2 C26 . 1.763(3) y
  N11 C11 . 1.337(4) ?
  N11 C15 . 1.356(4) ?
  N12 C15 . 1.364(4) ?
  C11 C12 . 1.362(5) ?
  C11 H11 .  .9300 ?
  C12 C13 . 1.389(6) ?
  C12 H12 .  .9300 ?
  C13 C14 . 1.366(5) ?
  C13 H13 .  .9300 ?
  C14 C15 . 1.394(4) ?
  C14 H14 .  .9300 ?
  C16 C17 . 1.375(6) ?
  C16 C111 . 1.379(5) ?
  C17 C18 . 1.386(6) ?
  C17 H17 .  .9300 ?
  C18 C19 . 1.381(7) ?
  C18 H18 .  .9300 ?
  C19 C110 . 1.355(7) ?
  C19 C112 . 1.513(6) ?
  C110 C111 . 1.388(6) ?
  C110 H110 .  .9300 ?
  C111 H111 .  .9300 ?
  C112 H11A .  .9600 ?
  C112 H11B .  .9600 ?
  C112 H11C .  .9600 ?
  N21 C21 . 1.341(4) ?
  N21 C25 . 1.353(4) ?
  N22 C25 . 1.369(4) ?
  C21 C22 . 1.358(5) ?
  C21 H21 .  .9300 ?
  C22 C23 . 1.381(6) ?
  C22 H22 .  .9300 ?
  C23 C24 . 1.364(6) ?
  C23 H23 .  .9300 ?
  C24 C25 . 1.393(5) ?
  C24 H24 .  .9300 ?
  C26 C27 . 1.381(5) ?
  C26 C211 . 1.386(5) ?
  C27 C28 . 1.371(5) ?
  C27 H27 .  .9300 ?
  C28 C29 . 1.387(6) ?
  C28 H28 .  .9300 ?
  C29 C210 . 1.377(6) ?
  C29 C212 . 1.512(5) ?
  C210 C211 . 1.379(5) ?
  C210 H210 .  .9300 ?
  C211 H211 .  .9300 ?
  C212 H21A .  .9600 ?
  C212 H21B .  .9600 ?
  C212 H21C .  .9600 ?
  N31 C31 . 1.333(4) ?
  N31 C310 . 1.340(4) ?
  N32 C38 . 1.339(4) ?
  N32 C39 . 1.339(4) ?
  C31 C32 . 1.371(5) ?
  C31 H31 .  .9300 ?
  C32 C33 . 1.369(6) ?
  C32 H32 .  .9300 ?
  C33 C34 . 1.376(6) ?
  C33 H33 .  .9300 ?
  C34 C310 . 1.386(5) ?
  C34 H34 .  .9300 ?
  C35 C36 . 1.371(5) ?
  C35 C39 . 1.397(4) ?
  C35 H35 .  .9300 ?
  C36 C37 . 1.363(5) ?
  C36 H36 .  .9300 ?
  C37 C38 . 1.372(5) ?
  C37 H37 .  .9300 ?
  C38 H38 .  .9300 ?
  C39 C310 . 1.474(5) ?