#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010183.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_2010183
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1662
_journal_page_last  1664
_publ_section_title
;
Two Zirconium(IV) Complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and
 trans-[ZrI~4~(PMe~2~Ph)~2~]
;
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Cotton, F.A.'
  'Wojtczak, W.A.'
_chemical_formula_sum  'C12 H36 Cl8 P4 Zr2'
_chemical_formula_weight  770.4
_symmetry_cell_setting  monoclinic
_cell_length_a  8.2200(10)
_cell_length_b  16.579(2)
_cell_length_c  11.1920(10)
_cell_angle_alpha  90.
_cell_angle_beta  93.400(10)
_cell_angle_gamma  90.
_cell_volume  1522.6(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  294
_exptl_crystal_density_diffrn  1.680
_refine_ls_R_factor_obs  0.0288
_refine_ls_wR_factor_obs  0.0376
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Zr .03610(7) .09081(3) .13616(4)
  Cl(1) .1338(2) -.05301(9) .06700(10)
  Cl(2) .1697(2) .04300(10)
  .32280(10)
  Cl(3) -.1827(2) .18930(9) .13970(10)
  Cl(4) .2346(2) .14240(10)
  .00330(10)
  P(1) .1686(2) .22560(10)
  .24770(10)
  P(2) -.2130(2) .00990(10)
  .24930(10)
  C(10) .0698(9) .2524(5) .3822(6)
  C(11) .3831(8) .2198(5) .2962(7)
  C(12) .1580(10)
  .3168(4) .1587(7)
  C(20) -.4153(8) .0047(5) .1742(6)
  C(21) -.2515(9) .0649(5) .3854(6)
  C(22) -.1719(9) -.0909(4) .3048(6)
  H(10) .090(10)
  .207(5) .439(7)
  H(11) -.050(10)
  .269(5) .367(7)
  H(12) .110(10)
  .301(5) .421(7)
  H(13) .410(10)
  .178(5) .353(7)
  H(14) .410(10)
  .267(5) .328(7)
  H(15) .430(10)
  .218(5) .227(7)
  H(16) .060(10)
  .325(6) .130(8)
  H(17) .190(10)
  .361(5) .208(8)
  H(18) .190(10)
  .309(5) .090(8)
  H(20) -.440(10)
  .052(5) .139(7)
  H(21) -.400(10)
  -.027(5) .104(7)
  H(22) -.470(10)
  -.017(5) .234(7)
  H(23) -.330(10)
  .045(5) .421(7)
  H(24) -.160(10)
  .061(5) .431(7)
  H(25) -.280(10)
  .114(5) .364(7)
  H(26) -.250(10)
  -.101(5) .343(7)
  H(27) -.160(10)
  -.126(5) .245(7)
  H(28) -.100(10)
  -.092(5) .356(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Zr Cl(1) 2.646(2) yes
  Zr Cl(1)' 2.6710(10)
  yes
  Zr Cl(2) 2.434(2) yes
  Zr Cl(3) 2.431(2) yes
  Zr Cl(4) 2.427(2) yes
  Zr P(1) 2.752(2) yes
  Zr P(2) 2.811(2) yes
  P(1) C(10) 1.808(7) no
  P(1) C(11) 1.816(7) no
  P(1) C(12) 1.810(7) no
  P(2) C(20) 1.820(7) no
  P(2) C(21) 1.820(7) no
  P(2) C(22) 1.808(7) no
  C(10) H(10) 1.00(8) no
  C(10) H(11) 1.04(8) no
  C(10) H(12) 0.96(8) no
  C(11) H(13) 0.96(9) no
  C(11) H(14) 0.88(9) no
  C(11) H(15) 0.88(9) no
  C(12) H(16) 0.87(8) no
  C(12) H(17) 0.95(9) no
  C(12) H(18) 0.84(9) no
  C(20) H(20) 0.89(8) no
  C(20) H(21) 0.96(8) no
  C(20) H(22) 0.89(8) no
  C(21) H(23) 0.88(8) no
  C(21) H(24) 0.92(8) no
  C(21) H(25) 0.87(8) no
  C(22) H(26) 0.83(8) no
  C(22) H(27) 0.90(8) no
  C(22) H(28) 0.79(8) no
_cod_database_code 2010183