#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008428.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_2008428
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  508
_journal_page_last  510
_publ_section_title
;
Zinc(II) complexes of bidentate Schiff base ligands containing
methoxyphenyl and nitrophenyl groups
;
loop_
_publ_author_name
  'Tatar, Leyla'
  '\"Ulk\"u, Din\,cer'
  'Atakol, Orhan'
_chemical_formula_moiety  'C28 H24 N2 O4 Zn'
_chemical_formula_sum            'C28 H24 N2 O4 Zn'
_[local]_cod_chemical_formula_sum_orig 'C28 H24 N2 O4 Zn '
_chemical_formula_weight  517.885
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  9.0778(11)
_cell_length_b  11.4052(13)
_cell_length_c  12.0973(12)
_cell_angle_alpha  84.898(2)
_cell_angle_beta  87.619(3)
_cell_angle_gamma  71.594(2)
_cell_volume  1183.6(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.4531
_refine_ls_R_factor_obs  0.0279
_refine_ls_wR_factor_obs  0.0371
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_u_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_type_symbol
  Zn 0.51552(3) 0.00820(2) 0.24611(2) 0.03310(10)
  Ueq . . Zn
  O1 0.4568(2) -0.13610(10)
  0.28920(10)
  0.0417(4) Ueq . . O
  O2 0.3559(2) 0.16420(10)
  0.21710(10)
  0.0410(4) Ueq . . O
  O3 0.9534(2) 0.2473(2) -0.11790(10)
  0.0542(5) Ueq . . O
  O4 1.1666(2) -0.2784(2) 0.5400(2) 0.0563(5) Ueq . . O
  N1 0.6358(2) -0.05110(10)
  0.10800(10)
  0.0311(4) Ueq . . N
  N2 0.6091(2) 0.05380(10)
  0.37700(10)
  0.0296(4) Ueq . . N
  C1 0.4891(2) -0.2342(2) 0.2332(2) 0.0340(5) Ueq . . C
  C2 0.4346(3) -0.3324(2) 0.2757(2) 0.0412(6) Ueq . . C
  C3 0.4650(3) -0.4388(2) 0.2223(2) 0.0470(6) Ueq . . C
  C4 0.5506(3) -0.4527(2) 0.1239(2) 0.0535(6) Ueq . . C
  C5 0.6027(3) -0.3589(2) 0.0793(2) 0.0488(6) Ueq . . C
  C6 0.5756(2) -0.2475(2) 0.1317(2) 0.0356(5) Ueq . . C
  C7 0.6401(2) -0.1579(2) 0.0761(2) 0.0368(5) Ueq . . C
  C8 0.7136(2) 0.0247(2) 0.0454(2) 0.0326(5) Ueq . . C
  C9 0.7203(3) 0.1289(2) 0.0926(2) 0.0425(6) Ueq . . C
  C10 0.7976(3) 0.2063(2) 0.0409(2) 0.0456(6) Ueq . . C
  C11 0.8694(2) 0.1799(2) -0.0609(2) 0.0400(6) Ueq . . C
  C12 0.8605(3) 0.0773(2) -0.1105(2) 0.0425(6) Ueq . . C
  C13 0.7842(2) 0.0010(2) -0.0586(2) 0.0382(6) Ueq . . C
  C14 0.3142(2) 0.2516(2) 0.2866(2) 0.0322(5) Ueq . . C
  C15 0.1824(3) 0.3545(2) 0.2623(2) 0.0411(6) Ueq . . C
  C16 0.1277(3) 0.4472(2) 0.3328(2) 0.0489(6) Ueq . . C
  C17 0.2021(3) 0.4434(2) 0.4310(2) 0.0525(6) Ueq . . C
  C18 0.3334(3) 0.3459(2) 0.4563(2) 0.0452(6) Ueq . . C
  C19 0.3936(2) 0.2485(2) 0.3862(2) 0.0325(5) Ueq . . C
  C20 0.5337(2) 0.1545(2) 0.4235(2) 0.0333(5) Ueq . . C
  C21 0.7497(2) -0.0285(2) 0.4254(2) 0.0303(5) Ueq . . C
  C22 0.8514(3) -0.1120(2) 0.3576(2) 0.0391(6) Ueq . . C
  C23 0.9884(3) -0.1932(2) 0.3981(2) 0.0449(6) Ueq . . C
  C24 1.0267(2) -0.1946(2) 0.5081(2) 0.0390(5) Ueq . . C
  C25 0.9267(2) -0.1128(2) 0.5764(2) 0.0372(5) Ueq . . C
  C26 0.7901(2) -0.0302(2) 0.5349(2) 0.0349(5) Ueq . . C
  C27 0.9597(3) 0.3546(2) -0.0708(3) 0.0649(8) Ueq . . C
  C28 1.1999(3) -0.2978(3) 0.6548(2) 0.0613(8) Ueq . . C
  H2 0.375 -0.325 0.343 0.0532 Uiso . . H
  H3 0.427 -0.504 0.253 0.0608 Uiso . . H
  H4 0.573 -0.527 0.088 0.0697 Uiso . . H
  H5 0.659 -0.368 0.011 0.0633 Uiso . . H
  H7 0.692 -0.183 0.009 0.0481 Uiso . . H
  H9 0.670 0.148 0.162 0.0545 Uiso . . H
  H10 0.801 0.277 0.075 0.0595 Uiso . . H
  H12 0.908 0.060 -0.181 0.0557 Uiso . . H
  H13 0.779 -0.069 -0.094 0.0494 Uiso . . H
  H15 0.130 0.360 0.195 0.0532 Uiso . . H
  H16 0.038 0.515 0.314 0.0633 Uiso . . H
  H17 0.163 0.507 0.480 0.0684 Uiso . . H
  H18 0.386 0.344 0.523 0.0595 Uiso . . H
  H20 0.564 0.169 0.492 0.0431 Uiso . . H
  H22 0.825 -0.113 0.282 0.0507 Uiso . . H
  H23 1.057 -0.249 0.351 0.0583 Uiso . . H
  H25 0.952 -0.113 0.652 0.0481 Uiso . . H
  H26 0.723 0.026 0.582 0.0456 Uiso . . H
  H271 0.857 0.410 -0.062 0.0836 Uiso . . H
  H272 1.027 0.384 -0.116 0.0836 Uiso . . H
  H273 1.004 0.338 0.008 0.0836 Uiso . . H
  H281 1.111 -0.312 0.702 0.0798 Uiso . . H
  H282 1.301 -0.357 0.665 0.0798 Uiso . . H
  H283 1.216 -0.221 0.684 0.0798 Uiso . . 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
_atom_site_aniso_type_symbol
  Zn 0.03630(10)
  0.03206(9) 0.03120(10)
  -0.00909(8) 0.00292(9) -0.01290(8) Zn
  O1 0.0516(7) 0.0394(6) 0.0390(7) -0.0193(5) 0.0121(6) -0.0167(6) O
  O2 0.0452(7) 0.0374(7) 0.0367(7) -0.0039(6) -0.0047(6) -0.0148(6) O
  O3 0.0601(8) 0.0567(8) 0.0507(9) -0.0275(6) 0.0096(7) -0.0007(7) O
  O4 0.0493(9) 0.0489(9) 0.0585(9) 0.0044(7) -0.0176(7) -0.0063(8) O
  N1 0.0319(7) 0.0330(7) 0.0273(7) -0.0069(6) -0.0006(6) -0.0086(6) N
  N2 0.0313(7) 0.0296(7) 0.0286(7) -0.0097(5) 0.0023(6) -0.0072(6) N
  C1 0.0343(9) 0.0324(8) 0.0347(9) -0.0075(7) -0.0047(8) -0.0083(7) C
  C2 0.0420(10)
  0.0397(9) 0.0430(10)
  -0.0144(8) -0.0047(9) -0.0037(9) C
  C3 0.0520(10)
  0.0336(9) 0.0580(10)
  -0.0150(8) -0.0110(10)
  -0.0019(9) C
  C4 0.0690(10)
  0.0306(9) 0.0610(10)
  -0.0129(9) -0.0060(10)
  -0.0153(9) C
  C5 0.0620(10)
  0.0380(10)
  0.0450(10)
  -0.0120(9) 0.0060(10)
  -0.0181(9) C
  C6 0.0398(9) 0.0307(8) 0.0345(9) -0.0066(7) -0.0030(8) -0.0094(7) C
  C7 0.0410(10)
  0.0353(9) 0.0314(9) -0.0058(8) 0.0027(8) -0.0127(8) C
  C8 0.0308(9) 0.0340(9) 0.0304(9) -0.0056(7) -0.0018(7) -0.0058(7) C
  C9 0.0510(10)
  0.0422(9) 0.0360(10)
  -0.0179(8) 0.0100(9) -0.0123(8) C
  C10 0.0540(10)
  0.0400(10)
  0.0460(10)
  -0.0177(8) 0.0060(10)
  -0.0117(9) C
  C11 0.0366(9) 0.0420(10)
  0.0380(10)
  -0.0103(8) -0.0025(8) 0.0031(9) C
  C12 0.0440(10)
  0.0510(10)
  0.0301(9) -0.0131(9) 0.0042(8) -0.0067(9) C
  C13 0.0400(10)
  0.0420(10)
  0.0314(9) -0.0099(8) -0.0003(8) -0.0105(8) C
  C14 0.0344(8) 0.0284(8) 0.0351(9) -0.0112(6) 0.0048(8) -0.0062(7) C
  C15 0.0420(10)
  0.0356(9) 0.0420(10)
  -0.0069(8) -0.0036(9) -0.0039(9) C
  C16 0.0470(10)
  0.0320(10)
  0.0590(10)
  0.0007(9)  0.0000(10)
  -0.0060(10)
  C
  C17 0.0600(10)
  0.0350(10)
  0.0550(10)
  -0.0010(10)
  0.0050(10)
  -0.0186(9) C
  C18 0.0520(10)
  0.0380(10)
  0.0420(10)
  -0.0068(9)  0.0000(10)
  -0.0150(8) C
  C19 0.0370(9) 0.0275(8) 0.0336(9) -0.0100(7) 0.0046(8) -0.0087(7) C
  C20 0.0388(9) 0.0328(8) 0.0302(9) -0.0125(7) 0.0009(8) -0.0093(7) C
  C21 0.0319(8) 0.0290(8) 0.0318(9) -0.0120(6) 0.0017(7) -0.0049(7) C
  C22 0.0430(10)
  0.0390(10)
  0.0321(9) -0.0048(8) -0.0023(8) -0.0111(8) C
  C23 0.0450(10)
  0.0390(10)
  0.0430(10)
  -0.0008(9) -0.0010(9) -0.0139(9) C
  C24 0.0377(9) 0.0326(9) 0.0460(10)
  -0.0097(7) -0.0058(9) -0.0020(8) C
  C25 0.0432(9) 0.0418(9) 0.0288(9) -0.0162(7) -0.0034(8) -0.0021(8) C
  C26 0.0379(9) 0.0367(9) 0.0312(9) -0.0132(7) 0.0062(8) -0.0078(8) C
  C27 0.0740(10)
  0.0570(10)
  0.070(2) -0.0340(10)
  0.0030(10)
  0.0030(10)
  C
  C28 0.0480(10)
  0.073(2) 0.0600(10)
  -0.0190(10)
  -0.0180(10)
  0.0130(10)
  C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Zn O1 . . 1.909(2) yes
  Zn O2 . . 1.9210(10)
  yes
  Zn N1 . . 2.006(2) yes
  Zn N2 . . 2.009(2) yes
  O1 C1 . . 1.307(3) yes
  O2 C14 . . 1.315(2) yes
  O3 C11 . . 1.371(3) yes
  O3 C27 . . 1.413(4) yes
  O4 C24 . . 1.373(2) yes
  O4 C28 . . 1.417(3) yes
  N1 C7 . . 1.299(3) yes
  N1 C8 . . 1.430(3) yes
  N2 C20 . . 1.300(2) yes
  N2 C21 . . 1.435(2) yes
  C1 C2 . . 1.411(3) no
  C1 C6 . . 1.423(3) no
  C2 C3 . . 1.371(3) no
  C2 H2 . . 0.95 no
  C3 C4 . . 1.387(4) no
  C3 H3 . . 0.95 no
  C4 C5 . . 1.362(4) no
  C4 H4 . . 0.95 no
  C5 C6 . . 1.418(3) no
  C5 H5 . . 0.95 no
  C6 C7 . . 1.436(3) yes
  C7 H7 . . 0.942 no
  C8 C9 . . 1.382(3) no
  C8 C13 . . 1.397(3) no
  C9 C10 . . 1.385(4) no
  C9 H9 . . 0.95 no
  C10 C11 . . 1.380(3) no
  C10 H10 . . 0.95 no
  C11 C12 . . 1.387(4) no
  C12 C13 . . 1.371(3) no
  C12 H12 . . 0.95 no
  C13 H13 . . 0.95 no
  C14 C15 . . 1.406(2) no
  C14 C19 . . 1.421(3) no
  C15 C16 . . 1.373(3) no
  C15 H15 . . 0.95 no
  C16 C17 . . 1.381(4) no
  C16 H16 . . 0.95 no
  C17 C18 . . 1.372(3) no
  C17 H17 . . 0.95 no
  C18 C19 . . 1.414(3) no
  C18 H18 . . 0.95 no
  C19 C20 . . 1.439(2) yes
  C20 H20 . . 0.930 no
  C21 C22 . . 1.398(3) yes
  C21 C26 . . 1.386(3) yes
  C22 C23 . . 1.374(3) no
  C22 H22 . . 0.95 no
  C23 C24 . . 1.387(3) no
  C23 H23 . . 0.95 no
  C24 C25 . . 1.385(3) no
  C25 C26 . . 1.381(3) no
  C25 H25 . . 0.95 no
  C26 H26 . . 0.95 no
  C27 H271 . . 0.955 no
  C27 H272 . . 0.926 no
  C27 H273 . . 1.035 no
  C28 H281 . . 1.018 no
  C28 H282 . . 0.955 no
  C28 H283 . . 1.021 no
_cod_database_code 2008428