#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010440.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_2010440
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  215
_journal_page_last  217
_publ_section_title
;
(Nitrito-O,O')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(\h^2^-NO~2~-O,O')
;
loop_
_publ_author_name
  'Halfen, Jason A.'
  'Tolman, William B.'
_chemical_formula_moiety  'C36 H30 Cu1 N1 O2 P2'
_chemical_formula_sum  'C36 H30 Cu1 N1 O2 P2'
_chemical_formula_weight  634.13
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,1/2-z'
_cell_length_a  24.443(9)
_cell_length_b  9.102(2)
_cell_length_c  15.356(5)
_cell_angle_alpha  90
_cell_angle_beta  116.01(3)
_cell_angle_gamma  90
_cell_volume  3070(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  297
_exptl_crystal_density_diffrn  1.372(2)
_refine_ls_R_factor_obs  0.063
_refine_ls_wR_factor_obs  0.060
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cu1 .5 .40179(8) .25
  P5 .40863(5) .51030(10)
  .19711(8)
  O2 .4993(2) .1900(4) .3172(3)
  N3 .5 .1147(7) .25
  C10 .3452(2) .3880(5) .1767(3)
  C11 .3470(2) .2478(5) .1438(4)
  C12 .2984(2) .1524(6) .1228(4)
  C13 .2486(2) .1957(6) .1351(4)
  C14 .2463(2) .3337(7) .1684(4)
  C15 .2944(2) .4304(5) .1890(3)
  C20 .4090(2) .6416(5) .2867(3)
  C21 .4099(2) .7926(5) .2749(3)
  C22 .4187(2) .8864(5) .3506(4)
  C23 .4265(2) .8321(6) .4382(4)
  C24 .4253(2) .6819(6) .4514(4)
  C25 .4169(2) .5888(5) .3759(3)
  C30 .3826(2) .6170(4) .0856(3)
  C31 .3216(2) .6289(5) .0202(3)
  C32 .3050(2) .7111(6) -.0640(4)
  C33 .3475(2) .7825(5) -.0825(3)
  C34 .4079(2) .7709(5) -.0189(4)
  C35 .4249(2) .6886(5) .0645(3)
  H1 .3823 .2167 .1337
  H2 .3010 .0512 .1006
  H3 .2151 .1277 .1209
  H4 .2112 .3648 .1772
  H5 .2928 .5303 .2108
  H6 .4053 .8323 .2136
  H7 .4197 .9916 .3417
  H8 .4330 .9012 .4903
  H9 .4308 .6412 .5141
  H10 .4155 .4833 .3842
  H11 .2907 .5805 .0349
  H12 .2620 .7154 -.1101
  H13 .3350 .8417 -.1425
  H14 .4393 .8208 -.0318
  H15 .4682 .6828 .1115
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
  Cu1 P5 . . 2.2430(10)
  yes
  Cu1 O2 . . 2.191(4) yes
  P5 C10 . . 1.821(4) yes
  P5 C20 . . 1.820(4) yes
  P5 C30 . . 1.823(4) yes
  O2 N3 . . 1.245(5) yes
  C10 C11 . . 1.381(6) yes
  C10 C15 . . 1.390(6) yes
  C11 C12 . . 1.391(6) yes
  C12 C13 . . 1.371(7) yes
  C13 C14 . . 1.366(8) yes
  C14 C15 . . 1.391(6) yes
  C20 C21 . . 1.387(6) yes
  C20 C25 . . 1.382(6) yes
  C21 C22 . . 1.381(6) yes
  C22 C23 . . 1.367(7) yes
  C23 C24 . . 1.385(7) yes
  C24 C25 . . 1.378(6) yes
  C30 C31 . . 1.390(6) yes
  C30 C35 . . 1.375(6) yes
  C31 C32 . . 1.392(6) yes
  C32 C33 . . 1.357(7) yes
  C33 C34 . . 1.372(6) yes
  C34 C35 . . 1.382(6) yes
  C11 H1 . . .981 no
  C12 H2 . . .994 no
  C13 H3 . . .972 no
  C14 H4 . . .967 no
  C15 H5 . . .976 no
  C21 H6 . . .968 no
  C22 H7 . . .969 no
  C23 H8 . . .974 no
  C24 H9 . . .983 no
  C25 H10 . . .972 no
  C31 H11 . . .983 no
  C32 H12 . . .977 no
  C33 H13 . . .993 no
  C34 H14 . . .983 no
  C35 H15 . . .986 no