data_2010468
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  224
_journal_page_last  226
_publ_section_title
;
Dichlorobis(creatinine)cadmium(II)
;
loop_
_publ_author_name
  'Okabe, N.'
  'Ikeda, K.'
  'Kohyama, Y.'
  'Sasaki, Y.'
_chemical_formula_moiety  'C8 H14 Cd1 Cl2 N6 O2'
_chemical_formula_sum  'C8 H14 Cd1 Cl2 N6 O2'
_chemical_formula_weight  409.55
_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  8.568(2)
_cell_length_b  12.697(2)
_cell_length_c  7.1759(6)
_cell_angle_alpha  101.300(10)
_cell_angle_beta  107.170(10)
_cell_angle_gamma  73.300(10)
_cell_volume  709.2(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.918
_exptl_crystal_density_meas  1.909(8)
_refine_ls_R_factor_obs  0.022
_refine_ls_wR_factor_obs  0.030
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cd(1) .23065(2) .768970(10)
  .23694(2)
  Cl(1) .05457(9) .76988(7) .44870(10)
  Cl(2) .12580(10)
  .68753(6) -.09785(9)
  O(1) .5943(3) .6506(2) .1291(3)
  O(1') .3022(3) .9883(2) .5328(3)
  N(1) .7052(3) .5836(2) .6079(3)
  N(1') .2762(3) 1.0805(2) .0951(3)
  N(2) .4477(3) .6506(2) .6938(3)
  N(2') .2130(3) .9309(2) -.1369(3)
  N(3) .4784(3) .6674(2) .3873(3)
  N(3') .2460(3) .9340(2) .2005(3)
  C(1) .6066(3) .6342(2) .2955(4)
  C(1') .2818(3) 1.0065(2) .3648(3)
  C(2) .7651(3) .5773(2) .4351(4)
  C(2') .2964(4) 1.1097(2) .3054(3)
  C(3) .8066(3) .5304(2) .7808(4)
  C(3') .2929(4) 1.1509(2) -.0306(4)
  C(4) .5426(3) .6337(2) .5699(3)
  C(4') .2431(3) .9816(2) .0441(3)
  H(1) .4920 .6438 .8201
  H(1') .2279 .9611 -.2570
  H(2) .3321 .6788 .6666
  H(2') .1797 .8641 -.1601
  H(2'1) .2156 1.1566 .3221
  H(3'1) .2869 1.1148 -.1612
  H(2'2) .4123 1.1261 .3739
  H(3'2) .2250 1.2185 -.0069
  H(3'3) .3998 1.1722 .0344
  H(21) .7905 .5044 .3686
  H(22) .8229 .6164 .4591
  H(31) .8551 .4685 .7362
  H(32) .8565 .5689 .8413
  H(33) .7328 .5266 .8676
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
  Cd(1) Cl(1) . . 2.4334(7) yes
  Cd(1) Cl(2) . . 2.4359(7) yes
  Cd(1) N(3) . . 2.226(2) yes
  Cd(1) N(3') . . 2.207(2) yes
  O(1) C(1) . . 1.221(3) yes
  O(1') C(1') . . 1.224(3) yes
  N(1) C(2) . . 1.456(3) yes
  N(1) C(3) . . 1.451(3) yes
  N(1) C(4) . . 1.325(3) yes
  N(1') C(2') . . 1.452(3) yes
  N(1') C(3') . . 1.449(3) yes
  N(1') C(4') . . 1.324(3) yes
  N(2) C(4) . . 1.322(3) yes
  N(2) H(1) . . 0.884 no
  N(2) H(2) . . 0.926 no
  N(2') C(4') . . 1.318(3) yes
  N(2') H(1') . . 1.063 no
  N(2') H(2') . . 0.941 no
  N(3) C(1) . . 1.367(3) yes
  N(3) C(4) . . 1.365(3) yes
  N(3') C(1') . . 1.362(3) yes
  N(3') C(4') . . 1.367(3) yes
  C(1) C(2) . . 1.513(4) yes
  C(1') C(2') . . 1.503(4) yes
  C(2) H(21) . . 0.951 no
  C(2) H(22) . . 0.761 no
  C(2') H(2'1) . . 0.795 no
  C(2') H(2'2) . . 1.031 no
  C(3) H(31) . . 0.828 no
  C(3) H(32) . . 0.733 no
  C(3) H(33) . . 1.026 no
  C(3') H(3'1) . . 0.952 no
  C(3') H(3'2) . . 0.905 no
  C(3') H(3'3) . . 0.985 no