#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008407.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_2008407
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_publ_section_title
;
(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)
;
loop_
_publ_author_name
  'Hanna, John V.'
  'Ng, Seik Weng'
_chemical_formula_moiety  'C36 H30 Ag N O2 P2'
_chemical_formula_sum  'C36 H30 Ag N O2 P2'
_chemical_formula_iupac  '[Ag (N O2) (C18 H15 P)2]'
_chemical_formula_weight  678.42
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  11.95970(10)
_cell_length_b  18.3546(3)
_cell_length_c  15.0141(3)
_cell_angle_alpha  90.00
_cell_angle_beta  100.7720(10)
_cell_angle_gamma  90.00
_cell_volume  3237.75(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.392
_diffrn_ambient_temperature  298(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
  Ag1 0.18317(2) 0.208320(10)
  0.43743(2) 0.04210(10)
  Uani d . 1 . . Ag
  P1 0.36855(6) 0.26841(4) 0.46910(5) 0.0389(2) Uani d . 1 . . P
  P2 -0.00599(6) 0.26190(4) 0.39704(5) 0.0376(2) Uani d . 1 . . P
  O1 0.1995(2) 0.08670(10)
  0.3755(2) 0.0740(10)
  Uani d . 1 . . O
  O2 0.1907(2) 0.09050(10)
  0.5125(2) 0.0680(10)
  Uani d . 1 . . O
  N1 0.1993(3) 0.0520(2) 0.4466(3) 0.0680(10)
  Uani d . 1 . . N
  C1 0.3769(3) 0.3359(2) 0.5595(2) 0.0460(10)
  Uani d . 1 . . C
  C2 0.3450(3) 0.3139(2) 0.6397(2) 0.0640(10)
  Uani d . 1 . . C
  C3 0.3427(4) 0.3623(3) 0.7086(3) 0.0790(10)
  Uani d . 1 . . C
  C4 0.3711(4) 0.4331(3) 0.7006(3) 0.093(2) Uani d . 1 . . C
  C5 0.4052(5) 0.4551(3) 0.6231(4) 0.120(2) Uani d . 1 . . C
  C6 0.4071(4) 0.4070(2) 0.5518(3) 0.0890(10)
  Uani d . 1 . . C
  C7 0.3992(3) 0.3188(2) 0.3717(2) 0.0410(10)
  Uani d . 1 . . C
  C8 0.3103(3) 0.3522(2) 0.3146(3) 0.0660(10)
  Uani d . 1 . . C
  C9 0.3267(4) 0.3893(2) 0.2383(3) 0.0810(10)
  Uani d . 1 . . C
  C10 0.4316(4) 0.3924(2) 0.2168(3) 0.0720(10)
  Uani d . 1 . . C
  C11 0.5218(4) 0.3593(2) 0.2714(3) 0.0750(10)
  Uani d . 1 . . C
  C12 0.5057(3) 0.3223(2) 0.3487(2) 0.0590(10)
  Uani d . 1 . . C
  C13 0.4921(2) 0.2100(2) 0.5051(2) 0.0400(10)
  Uani d . 1 . . C
  C14 0.5918(3) 0.2348(2) 0.5588(2) 0.0540(10)
  Uani d . 1 . . C
  C15 0.6839(3) 0.1878(2) 0.5832(2) 0.0630(10)
  Uani d . 1 . . C
  C16 0.6771(3) 0.1173(2) 0.5539(3) 0.0630(10)
  Uani d . 1 . . C
  C17 0.5788(3) 0.0926(2) 0.5003(3) 0.0630(10)
  Uani d . 1 . . C
  C18 0.4858(3) 0.1383(2) 0.4760(2) 0.0490(10)
  Uani d . 1 . . C
  C19 -0.0157(2) 0.3216(2) 0.2988(2) 0.0380(10)
  Uani d . 1 . . C
  C20 0.0217(3) 0.2944(2) 0.2229(2) 0.0540(10)
  Uani d . 1 . . C
  C21 0.0210(3) 0.3378(2) 0.1479(2) 0.0630(10)
  Uani d . 1 . . C
  C22 -0.0167(3) 0.4085(2) 0.1470(2) 0.0610(10)
  Uani d . 1 . . C
  C23 -0.0547(3) 0.4356(2) 0.2204(2) 0.0660(10)
  Uani d . 1 . . C
  C24 -0.0539(3) 0.3926(2) 0.2959(2) 0.0560(10)
  Uani d . 1 . . C
  C25 -0.1235(2) 0.1985(2) 0.3632(2) 0.0380(10)
  Uani d . 1 . . C
  C26 -0.1077(3) 0.1260(2) 0.3884(2) 0.0460(10)
  Uani d . 1 . . C
  C27 -0.1937(3) 0.0760(2) 0.3626(2) 0.0590(10)
  Uani d . 1 . . C
  C28 -0.2957(3) 0.0973(2) 0.3106(2) 0.0580(10)
  Uani d . 1 . . C
  C29 -0.3132(3) 0.1691(2) 0.2849(2) 0.0570(10)
  Uani d . 1 . . C
  C30 -0.2272(3) 0.2196(2) 0.3108(2) 0.0500(10)
  Uani d . 1 . . C
  C31 -0.0443(3) 0.3206(2) 0.4847(2) 0.0450(10)
  Uani d . 1 . . C
  C32 0.0414(3) 0.3583(2) 0.5393(3) 0.0770(10)
  Uani d . 1 . . C
  C33 0.0190(4) 0.4049(3) 0.6064(3) 0.100(2) Uani d . 1 . . C
  C35 -0.1743(4) 0.3762(3) 0.5681(3) 0.105(2) Uani d . 1 . . C
  C34 -0.0884(4) 0.4135(3) 0.6205(3) 0.096(2) Uani d . 1 . . C
  C36 -0.1524(3) 0.3294(2) 0.5005(3) 0.0810(10)
  Uani d . 1 . . C
  H2 0.3249 0.2655 0.6466 0.097 Uiso calc R 1 . . H
  H3 0.3213 0.3463 0.7618 0.118 Uiso calc R 1 . . H
  H4 0.3675 0.4661 0.7470 0.140 Uiso calc R 1 . . H
  H5 0.4276 0.5032 0.6179 0.180 Uiso calc R 1 . . H
  H6 0.4289 0.4233 0.4990 0.133 Uiso calc R 1 . . H
  H8 0.2375 0.3497 0.3278 0.099 Uiso calc R 1 . . H
  H9 0.2657 0.4123 0.2015 0.122 Uiso calc R 1 . . H
  H10 0.4424 0.4169 0.1648 0.108 Uiso calc R 1 . . H
  H11 0.5939 0.3617 0.2568 0.112 Uiso calc R 1 . . H
  H12 0.5673 0.2997 0.3854 0.088 Uiso calc R 1 . . H
  H14 0.5972 0.2829 0.5786 0.081 Uiso calc R 1 . . H
  H15 0.7505 0.2046 0.6196 0.095 Uiso calc R 1 . . H
  H16 0.7389 0.0861 0.5702 0.095 Uiso calc R 1 . . H
  H17 0.5744 0.0446 0.4801 0.094 Uiso calc R 1 . . H
  H18 0.4193 0.1209 0.4402 0.073 Uiso calc R 1 . . H
  H20 0.0473 0.2466 0.2228 0.082 Uiso calc R 1 . . H
  H21 0.0462 0.3191 0.0975 0.094 Uiso calc R 1 . . H
  H22 -0.0162 0.4378 0.0966 0.091 Uiso calc R 1 . . H
  H23 -0.0812 0.4833 0.2196 0.098 Uiso calc R 1 . . H
  H24 -0.0795 0.4118 0.3458 0.084 Uiso calc R 1 . . H
  H26 -0.0387 0.1110 0.4229 0.069 Uiso calc R 1 . . H
  H27 -0.1827 0.0275 0.3804 0.089 Uiso calc R 1 . . H
  H28 -0.3530 0.0632 0.2928 0.088 Uiso calc R 1 . . H
  H29 -0.3824 0.1836 0.2504 0.085 Uiso calc R 1 . . H
  H30 -0.2387 0.2680 0.2930 0.075 Uiso calc R 1 . . H
  H32 0.1161 0.3524 0.5311 0.115 Uiso calc R 1 . . H
  H33 0.0783 0.4304 0.6419 0.150 Uiso calc R 1 . . H
  H34 -0.1034 0.4447 0.6657 0.143 Uiso calc R 1 . . H
  H35 -0.2484 0.3819 0.5775 0.158 Uiso calc R 1 . . H
  H36 -0.2121 0.3037 0.4657 0.121 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
  Ag1 0.03640(10)
  0.03780(10)
  0.05100(10)
  -0.00040(10)
  0.00530(10)
  0.00240(10)
  P1 0.0322(4) 0.0385(4) 0.0447(5) -0.0010(3) 0.0040(3) 0.0009(3)
  P2 0.0344(4) 0.0353(4) 0.0418(4) 0.0003(3) 0.0042(3) 0.0028(3)
  O1 0.096(2) 0.059(2) 0.071(2) -0.0140(10)
  0.028(2) -0.0190(10)
  O2 0.091(2) 0.050(2) 0.066(2) 0.0050(10)
  0.021(2) 0.0080(10)
  N1 0.071(2) 0.040(2) 0.097(3)  0.0000(10)
  0.025(2) -0.002(2)
  C1 0.040(2) 0.049(2) 0.048(2) 0.0020(10)
  0.0070(10)
  -0.004(2)
  C2 0.072(3) 0.068(2) 0.052(2) 0.002(2) 0.010(2) 0.002(2)
  C3 0.086(3) 0.100(4) 0.050(2) 0.008(3) 0.013(2) -0.007(2)
  C4 0.119(4) 0.090(4) 0.072(3) 0.011(3) 0.023(3) -0.028(3)
  C5 0.208(6) 0.063(3) 0.098(4) -0.024(3) 0.053(4) -0.033(3)
  C6 0.146(4) 0.056(2) 0.074(3) -0.027(3) 0.047(3) -0.016(2)
  C7 0.043(2) 0.035(2) 0.043(2) -0.0030(10)
  0.0020(10)
  -0.0020(10)
  C8 0.046(2) 0.071(3) 0.077(3) -0.003(2) 0.001(2) 0.030(2)
  C9 0.079(3) 0.075(3) 0.080(3) -0.007(2) -0.010(2) 0.035(2)
  C10 0.116(4) 0.051(2) 0.050(2) -0.008(2) 0.018(2) 0.004(2)
  C11 0.091(3) 0.068(3) 0.077(3) 0.008(2) 0.047(3) 0.008(2)
  C12 0.059(2) 0.062(2) 0.058(2) 0.009(2) 0.022(2) 0.012(2)
  C13 0.036(2) 0.043(2) 0.040(2) 0.0020(10)
  0.0080(10)
  0.0080(10)
  C14 0.042(2) 0.059(2) 0.055(2) 0.000(2) -0.004(2) -0.005(2)
  C15 0.039(2) 0.085(3) 0.061(2) 0.010(2) -0.004(2) 0.002(2)
  C16 0.049(2) 0.071(3) 0.072(3) 0.020(2) 0.015(2) 0.013(2)
  C17 0.056(2) 0.048(2) 0.087(3) 0.007(2) 0.025(2) 0.002(2)
  C18 0.040(2) 0.046(2) 0.059(2) -0.0020(10)
  0.009(2) -0.001(2)
  C19 0.035(2) 0.037(2) 0.041(2) -0.0030(10)
  0.0050(10)
  0.0040(10)
  C20 0.067(2) 0.047(2) 0.051(2) 0.003(2) 0.015(2) -0.001(2)
  C21 0.072(3) 0.075(3) 0.044(2) -0.004(2) 0.015(2)  0.000(2)
  C22 0.073(2) 0.061(2) 0.045(2) -0.016(2)  0.000(2) 0.010(2)
  C23 0.096(3) 0.041(2) 0.055(2) 0.005(2) 0.002(2) 0.009(2)
  C24 0.077(2) 0.045(2) 0.048(2) 0.011(2) 0.015(2) 0.004(2)
  C25 0.033(2) 0.041(2) 0.039(2) -0.0020(10)
  0.0060(10)
  0.0020(10)
  C26 0.044(2) 0.043(2) 0.050(2) -0.0030(10)
  0.003(2) 0.0050(10)
  C27 0.062(2) 0.044(2) 0.071(2) -0.007(2) 0.010(2) 0.009(2)
  C28 0.054(2) 0.061(2) 0.060(2) -0.020(2) 0.012(2) -0.003(2)
  C29 0.038(2) 0.065(2) 0.062(2) -0.006(2) -0.005(2) 0.007(2)
  C30 0.045(2) 0.046(2) 0.057(2) -0.0020(10)
  0.000(2) 0.008(2)
  C31 0.049(2) 0.043(2) 0.044(2) -0.0020(10)
  0.010(2) 0.0040(10)
  C32 0.057(2) 0.082(3) 0.088(3) -0.002(2) 0.007(2) -0.035(2)
  C33 0.085(3) 0.104(4) 0.107(4) -0.008(3) 0.008(3) -0.061(3)
  C34 0.107(4) 0.097(4) 0.092(3) -0.016(3) 0.041(3) -0.043(3)
  C35 0.083(3) 0.127(4) 0.122(4) -0.024(3) 0.060(3) -0.060(3)
  C36 0.061(3) 0.098(3) 0.090(3) -0.024(2) 0.033(2) -0.040(3)
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
  Ag1 P1 . 2.4421(8) ?
  Ag1 P2 . 2.4372(8) ?
  Ag1 O1 . 2.439(2) ?
  Ag1 O2 . 2.432(2) ?
  P1 C1 . 1.825(3) ?
  P1 C7 . 1.824(3) ?
  P1 C13 . 1.824(3) ?
  P2 C31 . 1.824(3) ?
  P2 C25 . 1.822(3) ?
  P2 C19 . 1.824(3) ?
  O1 N1 . 1.243(4) ?
  O2 N1 . 1.236(4) ?
  C1 C6 . 1.366(5) ?
  C1 C2 . 1.390(4) ?
  C2 C3 . 1.368(5) ?
  C3 C4 . 1.355(6) ?
  C4 C5 . 1.363(6) ?
  C5 C6 . 1.391(5) ?
  C7 C8 . 1.379(4) ?
  C7 C12 . 1.383(4) ?
  C8 C9 . 1.377(5) ?
  C9 C10 . 1.353(5) ?
  C10 C11 . 1.369(5) ?
  C11 C12 . 1.388(5) ?
  C13 C18 . 1.383(4) ?
  C13 C14 . 1.385(4) ?
  C14 C15 . 1.394(4) ?
  C15 C16 . 1.364(5) ?
  C16 C17 . 1.372(5) ?
  C17 C18 . 1.387(4) ?
  C19 C24 . 1.378(4) ?
  C19 C20 . 1.392(4) ?
  C20 C21 . 1.378(4) ?
  C21 C22 . 1.373(5) ?
  C22 C23 . 1.362(5) ?
  C23 C24 . 1.380(4) ?
  C25 C26 . 1.387(4) ?
  C25 C30 . 1.395(4) ?
  C26 C27 . 1.379(4) ?
  C27 C28 . 1.376(5) ?
  C28 C29 . 1.378(5) ?
  C29 C30 . 1.385(4) ?
  C31 C36 . 1.368(5) ?
  C31 C32 . 1.374(4) ?
  C32 C33 . 1.384(5) ?
  C33 C34 . 1.350(6) ?
  C34 C35 . 1.357(6) ?
  C35 C36 . 1.391(5) ?