#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012217.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_2012217
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1039
_journal_page_last  1040
_publ_section_title
;
trans-Dichlorotetrakis(4-methyl-1,3-pyrimidine-N^1^)ruthenium(II)
;
loop_
_publ_author_name
  'Bellucci, Cinzia'
  'Cini, Renzo'
_chemical_formula_moiety  'C20 H24 Cl2 N8 Ru1'
_chemical_formula_sum  'C20 H24 Cl2 N8 Ru1'
_chemical_formula_iupac  '[RuCl2 (C5 H6 N2 )4 ]'
_chemical_formula_weight  548.44
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'I 4'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  '-y, x, z'
  'y, -x, z'
  'x+1/2, y+1/2, z+1/2'
  '-x+1/2, -y+1/2, z+1/2'
  '-y+1/2, x+1/2, z+1/2'
  'y+1/2, -x+1/2, z+1/2'
_cell_length_a  11.2950(10)
_cell_length_b  11.2950(10)
_cell_length_c  9.2000(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1173.7(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.552
_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
  Ru  .0000  .0000  -.04177(17)  .04569(19) Uani d S 1 . . Ru
  Cl1  .0000  .0000  -.3025(3)  .0622(14) Uani d S 1 . . Cl
  Cl2  .0000  .0000  .2192(3)  .0617(14) Uani d S 1 . . Cl
  N1  -.1701(2)  .0712(2)  -.0401(8)  .0498(6) Uani d . 1 . . N
  C2  -.2521(4)  .0367(4)  .0557(5)  .0608(12) Uani d . 1 . . C
  H2  -.2315  -.0228  .1209  .073 Uiso calc R 1 . . H
  N3  -.3626(3)  .0815(4)  .0651(5)  .0738(11) Uani d . 1 . . N
  C4  -.3924(3)  .1682(3)  -.0325(15)  .0569(11) Uani d . 1 . . C
  C5  -.3127(4)  .2042(3)  -.1335(5)  .0549(11) Uani d . 1 . . C
  H5  -.3329  .2614  -.2018  .066 Uiso calc R 1 . . H
  C6  -.2050(4)  .1559(4)  -.1332(5)  .0589(11) Uani d . 1 . . C
  H6  -.1506  .1826  -.2017  .071 Uiso calc R 1 . . H
  C7  -.5139(4)  .2197(4)  -.0248(10)  .0805(15) Uani d . 1 . . C
  H7A  -.5569  .1833  .0534  .121 Uiso calc R 1 . . H
  H7B  -.5546  .2055  -.1148  .121 Uiso calc R 1 . . H
  H7C  -.5085  .3034  -.0080  .121 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
  Ru  .0442(2)  .0442(2)  .0487(3)  .000  .000  .000
  Cl1  .069(2)  .069(2)  .049(3)  .000  .000  .000
  Cl2  .066(2)  .066(2)  .053(3)  .000  .000  .000
  N1  .0470(15)  .0466(14)  .0557(15)  -.0008(11)  -.007(5)  .000(5)
  C2  .048(2)  .063(3)  .071(3)  -.0005(19)  -.001(2)  .011(2)
  N3  .056(2)  .077(3)  .088(3)  -.0004(18)  .004(2)  .005(2)
  C4  .0551(19)  .0463(18)  .069(3)  .0036(14)  -.004(4)  .001(5)
  C5  .055(3)  .048(2)  .062(3)  .0088(19)  -.007(2)  .0125(19)
  C6  .061(3)  .053(3)  .062(3)  -.0004(19)  .003(2)  .006(2)
  C7  .059(2)  .083(3)  .100(5)  .0124(19)  -.001(4)  .012(4)
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
  Ru N1 3 2.082(2) ?
  Ru N1 4 2.082(2) ?
  Ru N1 . 2.082(2) y
  Ru N1 2 2.082(2) ?
  Ru Cl1 . 2.398(4) y
  Ru Cl2 . 2.400(4) y
  N1 C2 . 1.337(6) y
  N1 C6 . 1.343(7) y
  C2 N3 . 1.349(5) y
  C2 H2 .  .9300 ?
  N3 C4 . 1.371(10) y
  C4 C5 . 1.356(11) y
  C4 C7 . 1.492(5) y
  C5 C6 . 1.333(5) y
  C5 H5 .  .9300 ?
  C6 H6 .  .9300 ?
  C7 H7A .  .9600 ?
  C7 H7B .  .9600 ?
  C7 H7C .  .9600 ?