data_2013867
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  m85
_journal_page_last  m87
_publ_section_title
;
Tetra-\m-benzoato-\k^2^O,O'-bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7-
dimethoxyisoquinoline-\kN)zinc(II)}: the first crystal structure with
papaverine as ligand
;
loop_
_publ_author_name
  'Zele\<n\'ak, Vladim\'ir'
  'Sabo, Michal'
  'Massa, Werner'
  '\<Cern\'ak, Juraj'
_chemical_formula_moiety  'C68 H62 N2 O16 Zn2'
_chemical_formula_sum  'C68 H62 N2 O16 Zn2'
_chemical_formula_iupac  '[Zn2 (C7 H5 O2)4 (C20 H21 N O4)2]'
_chemical_formula_weight  1293.98
_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  14.1780(9)
_cell_length_b  14.4118(6)
_cell_length_c  15.5442(11)
_cell_angle_alpha  90.00
_cell_angle_beta  101.799(8)
_cell_angle_gamma  90.00
_cell_volume  3109.0(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  193.0(10)
_exptl_crystal_density_diffrn  1.382
_diffrn_ambient_temperature  193.0(10)
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 0.005948(14) 0.101252(15) 0.029481(13) 0.01757(6) Uani d . 1 . . Zn
  N1 -0.00881(10) 0.24306(11) 0.04829(9) 0.0194(3) Uani d . 1 . . N
  O1A -0.05128(11) 0.10760(11) -0.10242(8) 0.0349(3) Uani d . 1 . . O
  O1B -0.06363(11) -0.03956(10) -0.14728(8) 0.0304(3) Uani d . 1 . . O
  O2A 0.13705(9) 0.08380(10) -0.00323(10) 0.0317(3) Uani d . 1 . . O
  O2B 0.12702(10) -0.06288(11) -0.05091(11) 0.0363(4) Uani d . 1 . . O
  O3 -0.05522(10) 0.66294(10) 0.16615(10) 0.0340(3) Uani d . 1 . . O
  O4 0.09650(9) 0.59486(11) 0.26264(10) 0.0326(3) Uani d . 1 . . O
  O5 0.05331(13) 0.17342(16) 0.50858(11) 0.0580(6) Uani d . 1 . . O
  O6 -0.07495(13) 0.13233(14) 0.36958(12) 0.0528(5) Uani d . 1 . . O
  C1 -0.07010(12) 0.04628(13) -0.16090(11) 0.0202(4) Uani d . 1 . . C
  C2 -0.10022(12) 0.07893(13) -0.25421(11) 0.0198(4) Uani d . 1 . . C
  C3 -0.08910(13) 0.17170(14) -0.27507(12) 0.0249(4) Uani d . 1 . . C
  H3 -0.0677 0.2154 -0.2295 0.030 Uiso calc R 1 . . H
  C4 -0.10913(14) 0.20095(15) -0.36217(13) 0.0294(4) Uani d . 1 . . C
  H4 -0.1005 0.2642 -0.3759 0.035 Uiso calc R 1 . . H
  C5 -0.14153(14) 0.13805(16) -0.42880(12) 0.0298(4) Uani d . 1 . . C
  H5 -0.1543 0.1579 -0.4883 0.036 Uiso calc R 1 . . H
  C6 -0.15544(15) 0.04598(16) -0.40873(13) 0.0300(4) Uani d . 1 . . C
  H6 -0.1795 0.0032 -0.4544 0.036 Uiso calc R 1 . . H
  C7 -0.13431(13) 0.01627(15) -0.32188(11) 0.0248(4) Uani d . 1 . . C
  H7 -0.1431 -0.0471 -0.3085 0.030 Uiso calc R 1 . . H
  C8 0.16849(12) 0.01396(14) -0.03693(11) 0.0226(4) Uani d . 1 . . C
  C9 0.26473(13) 0.02500(15) -0.06287(12) 0.0262(4) Uani d . 1 . . C
  C10 0.31428(14) 0.10844(17) -0.04770(15) 0.0359(5) Uani d . 1 . . C
  H10 0.2877 0.1584 -0.0206 0.043 Uiso calc R 1 . . H
  C11 0.40300(18) 0.1191(2) -0.0721(2) 0.0577(8) Uani d . 1 . . C
  H11 0.4369 0.1762 -0.0613 0.069 Uiso calc R 1 . . H
  C12 0.4411(2) 0.0478(3) -0.1115(2) 0.0714(10) Uani d . 1 . . C
  H12 0.5012 0.0558 -0.1285 0.086 Uiso calc R 1 . . H
  C13 0.3934(2) -0.0356(3) -0.1268(2) 0.0668(9) Uani d . 1 . . C
  H13 0.4206 -0.0850 -0.1542 0.080 Uiso calc R 1 . . H
  C14 0.30491(16) -0.0476(2) -0.10207(17) 0.0439(6) Uani d . 1 . . C
  H14 0.2721 -0.1053 -0.1120 0.053 Uiso calc R 1 . . H
  C15 -0.08722(12) 0.28195(14) -0.00696(12) 0.0229(4) Uani d . 1 . . C
  H15 -0.1232 0.2446 -0.0525 0.027 Uiso calc R 1 . . H
  C16 -0.11559(13) 0.37122(14) 0.00050(12) 0.0245(4) Uani d . 1 . . C
  H16 -0.1708 0.3946 -0.0388 0.029 Uiso calc R 1 . . H
  C17 -0.06315(12) 0.42921(13) 0.06655(11) 0.0199(3) Uani d . 1 . . C
  C18 -0.09046(13) 0.52194(14) 0.08014(12) 0.0234(4) Uani d . 1 . . C
  H18 -0.1462 0.5477 0.0436 0.028 Uiso calc R 1 . . H
  C19 -0.03652(13) 0.57450(13) 0.14606(13) 0.0233(4) Uani d . 1 . . C
  C20 -0.13711(15) 0.70835(16) 0.11416(16) 0.0368(5) Uani d . 1 . . C
  H20A -0.1323 0.7067 0.0522 0.055 Uiso calc R 1 . . H
  H20B -0.1390 0.7730 0.1333 0.055 Uiso calc R 1 . . H
  H20C -0.1960 0.6765 0.1214 0.055 Uiso calc R 1 . . H
  C21 0.18346(14) 0.56093(17) 0.31685(15) 0.0351(5) Uani d . 1 . . C
  H21A 0.1689 0.5067 0.3499 0.053 Uiso calc R 1 . . H
  H21B 0.2122 0.6096 0.3580 0.053 Uiso calc R 1 . . H
  H21C 0.2288 0.5433 0.2799 0.053 Uiso calc R 1 . . H
  C22 0.04915(13) 0.53623(14) 0.20043(12) 0.0235(4) Uani d . 1 . . C
  C23 0.07644(12) 0.44758(13) 0.18754(12) 0.0219(4) Uani d . 1 . . C
  H23 0.1336 0.4233 0.2231 0.026 Uiso calc R 1 . . H
  C24 0.02012(11) 0.39104(13) 0.12137(11) 0.0188(3) Uani d . 1 . . C
  C25 0.04411(11) 0.29682(13) 0.10992(11) 0.0175(3) Uani d . 1 . . C
  C26 0.12889(12) 0.25288(13) 0.17104(11) 0.0200(3) Uani d . 1 . . C
  H26B 0.1861 0.2932 0.1747 0.024 Uiso calc R 1 . . H
  H26A 0.1434 0.1924 0.1465 0.024 Uiso calc R 1 . . H
  C27 0.10990(12) 0.23810(14) 0.26276(12) 0.0227(4) Uani d . 1 . . C
  C28 0.17714(14) 0.26173(16) 0.33709(13) 0.0311(4) Uani d . 1 . . C
  H28 0.2354 0.2914 0.3314 0.037 Uiso calc R 1 . . H
  C29 0.15971(16) 0.24215(18) 0.42079(14) 0.0386(5) Uani d . 1 . . C
  H29 0.2060 0.2593 0.4715 0.048(7) Uiso calc R 1 . . H
  C30 0.07611(15) 0.19829(18) 0.43013(13) 0.0363(5) Uani d . 1 . . C
  C31 0.1233(2) 0.1793(3) 0.58484(17) 0.0767(11) Uani d . 1 . . C
  H31A 0.1821 0.1482 0.5760 0.115 Uiso calc R 1 . . H
  H31B 0.1000 0.1493 0.6331 0.115 Uiso calc R 1 . . H
  H31C 0.1374 0.2447 0.5994 0.115 Uiso calc R 1 . . H
  C32 -0.1370(2) 0.0952(3) 0.2976(2) 0.0832(12) Uani d . 1 . . C
  H32A -0.1665 0.1455 0.2588 0.125 Uiso calc R 1 . . H
  H32B -0.1875 0.0596 0.3174 0.125 Uiso calc R 1 . . H
  H32C -0.1010 0.0543 0.2656 0.125 Uiso calc R 1 . . H
  C33 0.00667(15) 0.17600(16) 0.35513(14) 0.0330(5) Uani d . 1 . . C
  C34 0.02320(13) 0.19656(15) 0.27280(12) 0.0266(4) Uani d . 1 . . C
  H34 -0.0247 0.1824 0.2222 0.032 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
  Zn 0.02110(9) 0.01342(11) 0.01778(9) -0.00049(8) 0.00302(6) -0.00289(8)
  N1 0.0192(7) 0.0169(9) 0.0212(7) -0.0001(5) 0.0021(5) -0.0028(6)
  O1A 0.0590(9) 0.0233(9) 0.0170(6) 0.0057(7) -0.0049(6) -0.0062(6)
  O1B 0.0489(8) 0.0199(9) 0.0191(6) -0.0020(6) -0.0005(6) 0.0021(5)
  O2A 0.0279(7) 0.0288(9) 0.0422(8) -0.0002(5) 0.0158(6) -0.0049(6)
  O2B 0.0268(7) 0.0302(9) 0.0554(10) -0.0091(6) 0.0165(7) -0.0085(7)
  O3 0.0361(7) 0.0141(8) 0.0470(9) 0.0047(6) -0.0029(6) -0.0070(6)
  O4 0.0305(7) 0.0211(8) 0.0406(8) -0.0010(6) -0.0058(6) -0.0139(6)
  O5 0.0507(10) 0.0994(17) 0.0270(8) 0.0160(10) 0.0150(7) 0.0113(9)
  O6 0.0552(10) 0.0660(14) 0.0456(10) -0.0160(9) 0.0302(8) -0.0084(9)
  C1 0.0201(8) 0.0201(11) 0.0200(8) 0.0013(6) 0.0035(6) -0.0009(7)
  C2 0.0208(7) 0.0201(11) 0.0185(8) 0.0010(6) 0.0038(6) -0.0020(6)
  C3 0.0303(9) 0.0188(11) 0.0244(9) -0.0003(7) 0.0027(7) -0.0011(7)
  C4 0.0396(11) 0.0214(12) 0.0273(10) 0.0001(8) 0.0068(8) 0.0048(8)
  C5 0.0363(10) 0.0323(13) 0.0203(9) 0.0036(8) 0.0049(8) 0.0051(8)
  C6 0.0376(10) 0.0293(13) 0.0212(9) -0.0016(8) 0.0017(8) -0.0058(8)
  C7 0.0331(9) 0.0199(11) 0.0198(8) -0.0020(7) 0.0018(7) -0.0014(7)
  C8 0.0220(8) 0.0250(11) 0.0206(8) -0.0007(7) 0.0040(6) 0.0024(7)
  C9 0.0246(9) 0.0294(12) 0.0253(9) -0.0014(7) 0.0071(7) 0.0021(8)
  C10 0.0315(10) 0.0340(14) 0.0442(12) -0.0064(9) 0.0120(8) 0.0045(10)
  C11 0.0396(13) 0.065(2) 0.0733(19) -0.0193(12) 0.0228(13) 0.0077(15)
  C12 0.0384(14) 0.102(3) 0.085(2) -0.0120(16) 0.0388(15) -0.001(2)
  C13 0.0486(15) 0.084(3) 0.078(2) 0.0057(15) 0.0372(15) -0.0181(18)
  C14 0.0380(12) 0.0464(17) 0.0520(14) -0.0006(10) 0.0204(11) -0.0121(11)
  C15 0.0222(8) 0.0192(11) 0.0238(9) 0.0007(7) -0.0035(6) -0.0060(7)
  C16 0.0229(8) 0.0218(11) 0.0253(9) 0.0022(7) -0.0033(7) -0.0022(7)
  C17 0.0211(8) 0.0156(10) 0.0225(8) -0.0010(6) 0.0033(6) -0.0009(6)
  C18 0.0231(8) 0.0171(10) 0.0280(9) 0.0024(7) 0.0002(7) 0.0002(7)
  C19 0.0274(9) 0.0121(10) 0.0302(9) 0.0010(6) 0.0051(7) -0.0019(7)
  C20 0.0372(11) 0.0200(13) 0.0509(13) 0.0086(8) 0.0031(9) 0.0003(9)
  C21 0.0292(10) 0.0341(14) 0.0379(11) -0.0024(8) -0.0032(8) -0.0152(9)
  C22 0.0250(8) 0.0165(11) 0.0270(9) -0.0034(7) 0.0006(7) -0.0055(7)
  C23 0.0218(8) 0.0180(11) 0.0241(9) -0.0006(7) 0.0005(6) -0.0025(7)
  C24 0.0209(7) 0.0149(10) 0.0202(7) -0.0018(6) 0.0034(6) -0.0015(7)
  C25 0.0182(7) 0.0152(10) 0.0191(8) -0.0013(6) 0.0039(6) -0.0034(6)
  C26 0.0198(8) 0.0160(10) 0.0236(8) 0.0018(6) 0.0026(6) -0.0030(7)
  C27 0.0240(8) 0.0186(11) 0.0242(9) 0.0071(7) 0.0022(7) -0.0013(7)
  C28 0.0253(9) 0.0388(14) 0.0265(10) 0.0070(8) -0.0010(7) -0.0007(8)
  C29 0.0354(11) 0.0548(17) 0.0218(10) 0.0149(10) -0.0031(8) -0.0039(9)
  C30 0.0393(11) 0.0470(16) 0.0248(10) 0.0160(10) 0.0118(8) 0.0033(9)
  C31 0.0652(18) 0.135(4) 0.0298(13) 0.022(2) 0.0093(13) 0.0179(17)
  C32 0.070(2) 0.110(3) 0.081(2) -0.050(2) 0.0434(18) -0.040(2)
  C33 0.0366(10) 0.0330(13) 0.0329(11) 0.0039(9) 0.0157(9) -0.0025(9)
  C34 0.0297(9) 0.0247(12) 0.0253(9) 0.0024(7) 0.0054(7) -0.0050(7)
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 O2A . 2.0404(12) yes
  Zn O1A . 2.0470(13) yes
  Zn O1B 3 2.0494(14) yes
  Zn O2B 3 2.0562(13) yes
  Zn N1 . 2.0812(16) yes
  Zn Zn 3 3.0533(4) yes
  N1 C25 . 1.337(2) ?
  N1 C15 . 1.377(2) ?
  O1A C1 . 1.257(2) ?
  O1B C1 . 1.255(2) ?
  O1B Zn 3 2.0494(14) ?
  O2A C8 . 1.258(2) ?
  O2B C8 . 1.252(2) ?
  O2B Zn 3 2.0561(13) ?
  O3 C19 . 1.351(2) ?
  O3 C20 . 1.430(2) ?
  O4 C22 . 1.354(2) ?
  O4 C21 . 1.430(2) ?
  O5 C30 . 1.372(2) ?
  O5 C31 . 1.384(3) ?
  O6 C33 . 1.376(3) ?
  O6 C32 . 1.381(4) ?
  C1 C2 . 1.501(2) ?
  C2 C3 . 1.392(3) ?
  C2 C7 . 1.396(2) ?
  C3 C4 . 1.391(3) ?
  C3 H3 . 0.9500 ?
  C4 C5 . 1.382(3) ?
  C4 H4 . 0.9500 ?
  C5 C6 . 1.386(3) ?
  C5 H5 . 0.9500 ?
  C6 C7 . 1.389(3) ?
  C6 H6 . 0.9500 ?
  C7 H7 . 0.9500 ?
  C8 C9 . 1.508(2) ?
  C9 C10 . 1.388(3) ?
  C9 C14 . 1.390(3) ?
  C10 C11 . 1.395(3) ?
  C10 H10 . 0.9500 ?
  C11 C12 . 1.363(5) ?
  C11 H11 . 0.9500 ?
  C12 C13 . 1.377(5) ?
  C12 H12 . 0.9500 ?
  C13 C14 . 1.396(3) ?
  C13 H13 . 0.9500 ?
  C14 H14 . 0.9500 ?
  C15 C16 . 1.360(3) ?
  C15 H15 . 0.9500 ?
  C16 C17 . 1.412(3) ?
  C16 H16 . 0.9500 ?
  C17 C24 . 1.418(2) ?
  C17 C18 . 1.419(3) ?
  C18 C19 . 1.374(3) ?
  C18 H18 . 0.9500 ?
  C19 C22 . 1.440(3) ?
  C20 H20A . 0.9800 ?
  C20 H20B . 0.9800 ?
  C20 H20C . 0.9800 ?
  C21 H21A . 0.9800 ?
  C21 H21B . 0.9800 ?
  C21 H21C . 0.9800 ?
  C22 C23 . 1.361(3) ?
  C23 C24 . 1.422(2) ?
  C23 H23 . 0.9500 ?
  C24 C25 . 1.420(3) ?
  C25 C26 . 1.510(2) ?
  C26 C27 . 1.519(2) ?
  C26 H26B . 0.9900 ?
  C26 H26A . 0.9900 ?
  C27 C28 . 1.382(3) ?
  C27 C34 . 1.404(3) ?
  C28 C29 . 1.402(3) ?
  C28 H28 . 0.9500 ?
  C29 C30 . 1.377(3) ?
  C29 H29 . 0.9500 ?
  C30 C33 . 1.401(3) ?
  C31 H31A . 0.9800 ?
  C31 H31B . 0.9800 ?
  C31 H31C . 0.9800 ?
  C32 H32A . 0.9800 ?
  C32 H32B . 0.9800 ?
  C32 H32C . 0.9800 ?
  C33 C34 . 1.380(3) ?
  C34 H34 . 0.9500 ?