#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010434.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_2010434
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  229
_journal_page_last  232
_publ_section_title
;
Two Forms of (1,10-Diamino-5,5-dimethyl-4,7-diazadecane)nickel(II)
Diperchlorate
;
loop_
_publ_author_name
  'Tahirov, T. H.'
  'Lu, T.-H.*'
  'Shu, K.'
  'Chung, C.-S.'
_chemical_formula_moiety  'C10 H26 Cl2 N4 Ni1 O8'
_chemical_formula_sum  'C10 H26 Cl2 N4 Ni1 O8'
_chemical_formula_weight  459.95
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
_cell_length_a  9.605(2)
_cell_length_b  15.309(6)
_cell_length_c  13.010(2)
_cell_angle_alpha  90.
_cell_angle_beta  105.64(2)
_cell_angle_gamma  90.
_cell_volume  1842.2(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(3)
_exptl_crystal_density_diffrn  1.658
_refine_ls_R_factor_obs  0.049
_refine_ls_wR_factor_obs  0.066
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ni .65931(6) .70320(4) 0.13588(4) 1.00
  Cl(1) .34707(16) .64811(9) -0.12278(10) 1.00
  Cl(2) .25741(15) .90354(9) 0.15593(12) 1.00
  O(1) .4243(16) .5821(13) -0.0562(14) 1.00
  O(2) .3045(7) .7124(3) -0.0594(5) 1.00
  O(3) .2299(18) .6107(14) -0.1944(5) 1.00
  O(4) .4335(19) .6896(14) -0.1803(15) 1.00
  O(5) .3282(18) .8349(14) 0.2215(15) 1.00
  O(6) .2652(17) .9783(13) 0.2211(15) 1.00
  O(7) .1127(17) .8924(16) 0.1093(18) 0.85
  O(7') .160(15) .857(3) 0.216(13) 0.15
  O(8) .3361(11) .9284(6) 0.0828(8) 0.75
  O(8') .260(2)  .856(2)  0.0710(15) 0.25
  N(1) .4803(4) .6769(3) 0.1711(4) 1.00
  N(2) .7416(4) .5951(2)  0.1991(3) 1.00
  N(3) .8372(4) .7218(2)  0.0953(3) 1.00
  N(4) .5859(5) .8164(3) 0.0887(4) 1.00
  C(1) .4868(6) .6476(6) 0.2802(4) 1.00
  C(2) .5722(6) .5663(4) 0.3098(5) 1.00
  C(3) .7282(6) .5772(3) 0.3085(4) 1.00
  C(4) .8970(5) .5942(3) 0.2019(4) 1.00
  C(5) .9132(5) .6342(3) .0990(4) 1.00
  C(6) 1.0728(5) .6470(4) .1085(5) 1.00
  C(7) .8400(6) .5799(4) .0021(5) 1.00
  C(8) .8314(7) .7719(4) -.0017(5) 1.00
  C(9) .7727(7) .8620(3) .0051(5) 1.00
  C(10) .6180(6) .8631(4) .0004(5) 1.00
  H(N11) .430 .629 .120 1.00
  H(N12) .420 .733 .158 1.00
  H(N2) .688 .547 .147 1.00
  H(N3) .899 .758 .159 1.00
  H(N41) .621 .857 .154 1.00
  H(N42) .475 .811 .069 1.00
  H(1) .535 .698 .336 1.00
  H(2) .378 .635 .285 1.00
  H(3) .571 .547 .390 1.00
  H(4) .525 .515 .254 1.00
  H(5) .773 .632 .360 1.00
  H(6) .786 .519 .339 1.00
  H(7) .958 .632 .269 1.00
  H(8) .936 .528 .208 1.00
  H(9) 1.125 .684 .177 1.00
  H(10) 1.087 .680 .039 1.00
  H(11) 1.126 .583 .115 1.00
  H(12) .863 .610 -.067 1.00
  H(13) .731 .581 -.012 1.00
  H(14) .887 .522 .020 1.00
  H(15) .938 .777 -.013 1.00
  H(16) .760 .739 -.070 1.00
  H(17) .791 .901 -.058 1.00
  H(18) .832 .890 .082 1.00
  H(19) .559 .832 -.074 1.00
  H(20) .583 .930 .001 1.00
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
  Ni N(1) . . 1.938(4) yes
  Ni N(2) . . 1.920(4) yes
  Ni N(3) . . 1.940(4) yes
  Ni N(4) . . 1.909(4) yes
  N(1) C(1) . . 1.474(7) yes
  N(2) C(3) . . 1.488(6) yes
  N(2) C(4) . . 1.483(6) yes
  N(3) C(5) . . 1.521(6) yes
  N(3) C(8) . . 1.465(6) yes
  N(4) C(10) . . 1.455(7) yes
  C(1) C(2) . . 1.483(8) yes
  C(2) C(3) . . 1.512(8) yes
  C(4) C(5) . . 1.518(7) yes
  C(5) C(6) . . 1.518(7) yes
  C(5) C(7) . . 1.516(7) yes
  C(8) C(9) . . 1.502(8) yes
  C(9) C(10) . . 1.471(8) yes