#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010472.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_2010472
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  244
_journal_page_last  245
_publ_section_title
;
Bis(L-prolinato-N,O)zinc(II)
;
loop_
_publ_author_name
  'Ng, C.-H.'
  'Fun, H.-K.'
  'Teo, S.-B.'
  'Teoh, S.-G.'
  'Chinnakali, K.'
_chemical_formula_sum  'C10 H14 N2 O4 Zn'
_chemical_formula_weight  291.6
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2-x,y-1/2,-z'
_cell_length_a  9.609(5)
_cell_length_b  5.648(3)
_cell_length_c  10.491(5)
_cell_angle_alpha  90.
_cell_angle_beta  91.63(4)
_cell_angle_gamma  90.
_cell_volume  569.1(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  1.702
_exptl_crystal_density_meas  1.695
_refine_ls_R_factor_obs  0.0269
_refine_ls_wR_factor_obs  0.0362
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Zn(1) .94110(10)
  .0 .19290(10)
  .0270(10)
  O(1) .9046(4) -.2379(7) .3395(3) .0410(10)
  O(2) .8329(5) -.2522(10) .5383(3) .0680(10)
  O(3) 1.0008(3) .2513(6) .0506(2) .0310(10)
  O(4) 1.1840(3) .3411(6) -.0641(2) .0360(10)
  N(1) .8368(4) .2287(7) .3091(3) .0290(10)
  N(2) 1.1544(3) -.0080(9) .2226(2) .0260(10)
  C(1) .8518(5) -.1479(9) .4387(4) .0370(10)
  C(2) .8094(5) .1101(10) .4325(4) .0360(10)
  C(3) .6520(5) .1323(14) .4500(5) .064(2)
  C(4) .6050(5) .3295(13) .3635(5) .059(2)
  C(5) .7010(5) .3066(11) .2539(4) .0490(10)
  C(6) 1.1276(4) .2517(7) .0320(3) .0250(10)
  C(7) 1.2270(4) .1518(8) .1352(3) .0290(10)
  C(8) 1.3508(4) .0170(16) .0847(4) .0530(10)
  C(9) 1.3659(5) -.1982(11) .1720(4) .054(2)
  C(10) 1.2160(4) -.2459(9) .2079(4) .0390(10)
  H(2A) .8644 .1852 .4958 ?
  H(3A) .6327 .1698 .5370 ?
  H(3B) .6059 -.0127 .4265 ?
  H(4A) .6157 .4804 .4047 ?
  H(4B) .5096 .3088 .3359 ?
  H(5A) .7107 .4564 .2119 ?
  H(5B) .6656 .1915 .1940 ?
  H(7) 1.2611 .2609 .1712 ?
  H(8A) 1.4360 .0871 .0758 ?
  H(8B) 1.3296 -.0357 .0124 ?
  H(9A) 1.4114 -.1439 .2529 ?
  H(9B) 1.3975 -.3412 .1344 ?
  H(10A) 1.1822 -.3435 .2810 ?
  H(10B) 1.1515 -.3287 .1493 ?
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(1) O(1) . . 2.079(4) yes
  Zn(1) N(1) . . 2.056(4) yes
  Zn(1) O(4) . 2 1.996(3) yes
  O(2) C(1) . . 1.218(6) yes
  O(4) C(6) . . 1.263(4) yes
  N(1) C(2) . . 1.488(5) yes
  N(2) C(7) . . 1.476(5) yes
  C(1) C(2) . . 1.514(8) yes
  C(3) C(4) . . 1.498(10) yes
  C(6) C(7) . . 1.531(5) yes
  C(8) C(9) . . 1.527(9) yes
  Zn(1) O(3) . . 2.150(3) yes
  Zn(1) N(2) . . 2.065(3) yes
  O(1) C(1) . . 1.276(6) yes
  O(3) C(6) . . 1.239(5) yes
  O(4) Zn(1) . 2 1.996(3) yes
  N(1) C(5) . . 1.479(6) yes
  N(2) C(10) . . 1.478(7) yes
  C(2) C(3) . . 1.534(7) yes
  C(4) C(5) . . 1.500(7) yes
  C(7) C(8) . . 1.520(7) yes
  C(9) C(10) . . 1.523(7) yes