#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006515.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_2006515
_journal_name_full 'Acta Crystallographica Section C'
_journal_year   1997
_journal_volume 53
_journal_page_first   1201
_journal_page_last   1204
_publ_section_title
;
Dimethylammonium  Trichloropalladate
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Eric S. Raper'
  'Maria Kubiak'
  'Tadeusz G\/lowiak'
_chemical_formula_moiety   '[NH2 (CH3)2] [PdCl3]'
_chemical_formula_sum   'C2 H8 Cl3 N Pd'
_chemical_formula_weight   258.84
_symmetry_cell_setting   'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a   7.802(2)
_cell_length_b   13.221(3)
_cell_length_c   7.1420(10)
_cell_angle_alpha   90.00
_cell_angle_beta   91.24(3)
_cell_angle_gamma   90.00
_cell_volume   736.5(3)
_cell_formula_units_Z   4
_cell_measurement_temperature   293(2)
_exptl_crystal_density_diffrn   2.334
_exptl_crystal_density_meas   2.30
_diffrn_ambient_temperature   293(2)
_refine_ls_R_factor_obs  .0267
_refine_ls_wR_factor_obs  .0652
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Pd 0 0 0  .02568(12) Uani d S 1 . Pd
  Cl1 0  .11093(8)  .25  .0353(2) Uani d S 1 . Cl
  Cl2  .24957(10)  -.07267(6)  .11471(11)  .0399(2) Uani d . 1 . Cl
  C1  .5803(5)  .1884(3)  .4001(6)  .0463(8) Uani d . 1 . C
  N  .5  .1264(3)  .25  .0376(8) Uani d S 1 . N
  H1  .497(5)  .229(3)  .460(6)  .039(11) Uiso d . 1 . H
  H2  .616(5)  .144(3)  .481(5)  .034(9) Uiso d . 1 . H
  H3  .658(7)  .231(4)  .332(8)  .081(17) Uiso d . 1 . H
  H4  .583(5)  .085(3)  .187(6)  .049(11) Uiso d . 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
  Pd  .0273(2)  .0289(2)  .0209(2)  .00035(11)  .00196(10)  .00136(10)
  Cl1  .0491(6)  .0324(5)  .0244(4)  .000  .0025(4)  .000
  Cl2  .0351(4)  .0464(4)  .0381(4)  .0089(3)  -.0041(3)  -.0002(3)
  C1  .046(2)  .048(2)  .044(2)  -.003(2)  -.007(2)  -.006(2)
  N  .039(2)  .034(2)  .040(2)  .000  -.003(2)  .000
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
  Pd Cl2 . 2.3060(10)
   y
  Pd Cl1 . 2.3110(10)
   y
  C1 N . 1.478(4) y
  C1 H1 .  .95(4) no
  C1 H2 .  .87(4) no
  C1 H3 .  .97(6) no
  N C1 2_655 1.478(4) no
  N H4 .  .96(4) no