data_2010526
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  24
_journal_page_last  25
_publ_section_title
;
A disorder in the lactato group of
(lactato-O,O')bis(triphenylphosphine-P)silver(I) that is corroborated by
^31^P two-dimensional CPCOSY NMR
;
loop_
_publ_author_name
  'Hanna, John V.'
  'Ng, Seik Weng'
_chemical_formula_moiety  'C39 H35 Ag O3 P2'
_chemical_formula_sum  'C39 H35 Ag O3 P2'
_chemical_formula_iupac  '[Ag (C3 H5 O3) (C18 H15 P)2]'
_chemical_formula_weight  721.48
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  12.57450(10)
_cell_length_b  12.88440(10)
_cell_length_c  13.04380(10)
_cell_angle_alpha  73.9670(10)
_cell_angle_beta  66.2420(10)
_cell_angle_gamma  62.5980(10)
_cell_volume  1706.43(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.404
_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  .78510(2)  .38529(2)  .27978(2)  .04360(10)
  Uani d . 1 . . Ag
  P1  .61037(8)  .57128(8)  .25834(7)  .0396(2) Uani d . 1 . . P
  P2  .88000(9)  .21779(8)  .17013(7)  .0400(2) Uani d . 1 . . P
  O1  .9543(5)  .4029(5)  .3208(5)  .139(2) Uani d . 1 A . O
  O2  .8539(3)  .3029(3)  .4444(3)  .0740(10)
  Uani d . 1 A . O
  O3 1.0590(10)
  .3943(9)  .4790(10)
  .145(3) Uani d PD  .50 A 1 O
  O3'  .9760(10)
  .2750(10)
  .5859(8)  .145(3) Uani d PD  .50 A 2 O
  C1  .4779(3)  .5492(3)  .2553(3)  .0450(10)
  Uani d . 1 . . C
  C2  .4424(4)  .5817(4)  .1592(4)  .0590(10)
  Uani d . 1 . . C
  C3  .3474(5)  .5546(5)  .1587(5)  .0770(10)
  Uani d . 1 . . C
  C4  .2862(5)  .4992(5)  .2530(5)  .0760(10)
  Uani d . 1 . . C
  C5  .3200(5)  .4667(4)  .3491(5)  .0750(10)
  Uani d . 1 . . C
  C6  .4173(4)  .4903(4)  .3488(4)  .0610(10)
  Uani d . 1 . . C
  C7  .6506(3)  .6616(3)  .1248(3)  .0450(10)
  Uani d . 1 . . C
  C8  .6047(4)  .7830(3)  .1154(4)  .0570(10)
  Uani d . 1 . . C
  C9  .6397(5)  .8473(4)  .0116(4)  .0710(10)
  Uani d . 1 . . C
  C10  .7192(5)  .7895(5)  -.0825(4)  .0690(10)
  Uani d . 1 . . C
  C11  .7647(4)  .6684(4)  -.0750(4)  .0630(10)
  Uani d . 1 . . C
  C12  .7315(4)  .6051(4)  .0286(3)  .0540(10)
  Uani d . 1 . . C
  C13  .5428(3)  .6725(3)  .3640(3)  .0420(10)
  Uani d . 1 . . C
  C14  .6266(4)  .7040(4)  .3796(4)  .0610(10)
  Uani d . 1 . . C
  C15  .5832(5)  .7847(5)  .4532(4)  .0740(10)
  Uani d . 1 . . C
  C16  .4559(5)  .8337(4)  .5125(4)  .0730(10)
  Uani d . 1 . . C
  C17  .3742(4)  .8009(4)  .4988(4)  .0650(10)
  Uani d . 1 . . C
  C18  .4154(4)  .7209(3)  .4249(3)  .0500(10)
  Uani d . 1 . . C
  C19 1.0181(3)  .0903(3)  .1946(3)  .0420(10)
  Uani d . 1 . . C
  C20 1.0246(4)  .0575(4)  .3028(4)  .0660(10)
  Uani d . 1 . . C
  C21 1.1275(5)  -.0413(5)  .3241(4)  .087(2) Uani d . 1 . . C
  C22 1.2233(5)  -.1041(4)  .2392(4)  .0730(10)
  Uani d . 1 . . C
  C23 1.2196(4)  -.0697(4)  .1315(4)  .0600(10)
  Uani d . 1 . . C
  C24 1.1166(4)  .0267(3)  .1092(3)  .0510(10)
  Uani d . 1 . . C
  C25  .7685(3)  .1572(3)  .1833(3)  .0430(10)
  Uani d . 1 . . C
  C26  .7960(4)  .0374(4)  .2022(4)  .0570(10)
  Uani d . 1 . . C
  C27  .7075(5)  -.0035(4)  .2100(4)  .0710(10)
  Uani d . 1 . . C
  C28  .5917(5)  .0750(5)  .1999(4)  .0750(10)
  Uani d . 1 . . C
  C29  .5624(4)  .1945(5)  .1815(5)  .0740(10)
  Uani d . 1 . . C
  C30  .6504(4)  .2347(4)  .1751(4)  .0590(10)
  Uani d . 1 . . C
  C31  .9364(3)  .2616(3)  .0196(3)  .0410(10)
  Uani d . 1 . . C
  C32  .9976(4)  .3381(4)  -.0169(3)  .0530(10)
  Uani d . 1 . . C
  C33 1.0413(4)  .3744(4)  -.1303(4)  .0620(10)
  Uani d . 1 . . C
  C34 1.0248(4)  .3349(4)  -.2093(3)  .0600(10)
  Uani d . 1 . . C
  C35  .9652(4)  .2593(4)  -.1743(3)  .0570(10)
  Uani d . 1 . . C
  C36  .9209(4)  .2222(3)  -.0601(3)  .0510(10)
  Uani d . 1 . . C
  C37  .9356(4)  .3421(4)  .4098(4)  .0600(10)
  Uani d . 1 . . C
  C38 1.0197(6)  .3108(5)  .4777(6)  .094(2) Uani d PD  .50 A 1 C
  C39 1.112(2)  .1841(8)  .485(2)  .117(4) Uani d PD  .50 A 1 C
  C38' 1.0197(6)  .3108(5)  .4777(6)  .094(2) Uani d P  .50 A 2 C
  C39' 1.1560(10)
  .2250(10)
  .4180(10)
  .117(4) Uani d PD  .50 A 2 C
  H2  .4820  .6214  .0955  .088 Uiso calc R 1 . . H
  H3  .3254  .5743  .0938  .116 Uiso calc R 1 . . H
  H4  .2214  .4834  .2524  .114 Uiso calc R 1 . . H
  H5  .2781  .4295  .4133  .112 Uiso calc R 1 . . H
  H6  .4422  .4661  .4126  .091 Uiso calc R 1 . . H
  H8  .5501  .8222  .1788  .086 Uiso calc R 1 . . H
  H9  .6092  .9288  .0061  .106 Uiso calc R 1 . . H
  H10  .7426  .8323  -.1516  .103 Uiso calc R 1 . . H
  H11  .8171  .6297  -.1390  .095 Uiso calc R 1 . . H
  H12  .7638  .5235  .0340  .081 Uiso calc R 1 . . H
  H14  .7126  .6706  .3401  .092 Uiso calc R 1 . . H
  H15  .6398  .8059  .4628  .111 Uiso calc R 1 . . H
  H16  .4260  .8889  .5614  .110 Uiso calc R 1 . . H
  H17  .2886  .8329  .5402  .097 Uiso calc R 1 . . H
  H18  .3582  .7000  .4162  .074 Uiso calc R 1 . . H
  H20  .9609  .1009  .3611  .099 Uiso calc R 1 . . H
  H21 1.1305  -.0646  .3973  .131 Uiso calc R 1 . . H
  H22 1.2910  -.1701  .2546  .109 Uiso calc R 1 . . H
  H23 1.2860  -.1110  .0730  .090 Uiso calc R 1 . . H
  H24 1.1140  .0487  .0358  .076 Uiso calc R 1 . . H
  H26  .8741  -.0160  .2098  .085 Uiso calc R 1 . . H
  H27  .7269  -.0839  .2220  .107 Uiso calc R 1 . . H
  H28  .5327  .0475  .2054  .113 Uiso calc R 1 . . H
  H29  .4845  .2475  .1735  .111 Uiso calc R 1 . . H
  H30  .6296  .3152  .1651  .088 Uiso calc R 1 . . H
  H32 1.0091  .3651  .0354  .080 Uiso calc R 1 . . H
  H33 1.0821  .4256  -.1538  .093 Uiso calc R 1 . . H
  H34 1.0540  .3597  -.2855  .090 Uiso calc R 1 . . H
  H35  .9543  .2324  -.2271  .085 Uiso calc R 1 . . H
  H36  .8807  .1707  -.0372  .076 Uiso calc R 1 . . H
  H38  .9585  .3124  .5538  .142 Uiso calc PR  .50 A 1 H
  H3A 1.1089  .3641  .5275  .218 Uiso calc PR  .00 A 1 H
  H3B  .9859  .4639  .5050  .218 Uiso calc PR  .50 A 1 H
  H3C 1.1082  .4132  .4035  .218 Uiso calc PR  .00 A 1 H
  H39A 1.1566  .1726  .5349  .176 Uiso calc PR  .50 A 1 H
  H39B 1.1715  .1656  .4114  .176 Uiso calc PR  .50 A 1 H
  H39C 1.0668  .1337  .5135  .176 Uiso calc PR  .50 A 1 H
  H38' 1.0272  .3838  .4758  .142 Uiso calc PR  .50 A 2 H
  H3'1 1.0349  .2603  .6225  .218 Uiso calc PR  .00 A 2 H
  H3'2  .9648  .2042  .5931  .218 Uiso calc PR  .50 A 2 H
  H3'3  .8959  .3350  .6204  .218 Uiso calc PR  .00 A 2 H
  H39D 1.2081  .2038  .4635  .176 Uiso calc PR  .50 A 2 H
  H39E 1.1901  .2625  .3459  .176 Uiso calc PR  .50 A 2 H
  H39F 1.1525  .1554  .4081  .176 Uiso calc PR  .50 A 2 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  .0456(2)  .0409(2)  .0435(2)  -.01080(10)
  -.01960(10)
  -.00690(10)
  P1  .0387(5)  .0385(5)  .0389(5)  -.0108(4)  -.0144(4)  -.0055(3)
  P2  .0440(5)  .0356(4)  .0393(5)  -.0100(4)  -.0176(4)  -.0068(3)
  O1  .143(4)  .167(5)  .148(4)  -.115(4)  -.106(4)  .106(4)
  O2  .061(2)  .111(3)  .055(2)  -.042(2)  -.022(2)  .000(2)
  O3  .147(7)  .201(9)  .135(7)  -.079(6)  -.082(6)  -.013(6)
  O3'  .147(7)  .201(9)  .135(7)  -.079(6)  -.082(6)  -.013(6)
  C1  .043(2)  .036(2)  .057(2)  -.009(2)  -.024(2)  -.006(2)
  C2  .053(2)  .065(3)  .059(2)  -.015(2)  -.027(2)  -.009(2)
  C3  .067(3)  .090(4)  .088(4)  -.022(3)  -.047(3)  -.015(3)
  C4  .058(3)  .077(3)  .109(4)  -.025(2)  -.040(3)  -.016(3)
  C5  .064(3)  .071(3)  .097(4)  -.036(2)  -.031(3)  .003(3)
  C6  .064(3)  .059(2)  .069(3)  -.031(2)  -.033(2)  .008(2)
  C7  .044(2)  .045(2)  .045(2)  -.015(2)  -.017(2)  -.005(2)
  C8  .060(2)  .045(2)  .056(2)  -.015(2)  -.014(2)  -.005(2)
  C9  .081(3)  .057(3)  .066(3)  -.029(2)  -.025(2)  .009(2)
  C10  .075(3)  .087(3)  .052(2)  -.046(3)  -.025(2)  .012(2)
  C11  .069(3)  .082(3)  .044(2)  -.038(2)  -.014(2)  -.009(2)
  C12  .056(2)  .057(2)  .046(2)  -.020(2)  -.014(2)  -.011(2)
  C13  .044(2)  .044(2)  .036(2)  -.016(2)  -.0130(10)
  -.0040(10)
  C14  .053(2)  .083(3)  .055(2)  -.034(2)  -.006(2)  -.025(2)
  C15  .089(3)  .094(4)  .062(3)  -.056(3)  -.016(2)  -.021(2)
  C16  .091(4)  .074(3)  .052(2)  -.032(3)  -.010(2)  -.024(2)
  C17  .059(2)  .069(3)  .048(2)  -.013(2)  -.007(2)  -.018(2)
  C18  .045(2)  .054(2)  .041(2)  -.014(2)  -.013(2)  -.005(2)
  C19  .045(2)  .035(2)  .046(2)  -.011(2)  -.021(2)  -.0040(10)
  C20  .068(3)  .066(3)  .047(2)  -.009(2)  -.026(2)  -.003(2)
  C21  .087(4)  .086(4)  .059(3)  .001(3)  -.044(3)  .003(3)
  C22  .067(3)  .056(3)  .081(3)  .002(2)  -.043(3)  -.006(2)
  C23  .053(2)  .048(2)  .074(3)  -.004(2)  -.026(2)  -.017(2)
  C24  .058(2)  .042(2)  .050(2)  -.011(2)  -.025(2)  -.007(2)
  C25  .048(2)  .044(2)  .037(2)  -.018(2)  -.011(2)  -.0090(10)
  C26  .058(2)  .051(2)  .059(2)  -.023(2)  -.014(2)  -.008(2)
  C27  .077(3)  .061(3)  .079(3)  -.036(3)  -.013(2)  -.015(2)
  C28  .067(3)  .096(4)  .079(3)  -.043(3)  -.011(2)  -.031(3)
  C29  .055(3)  .080(3)  .094(4)  -.021(2)  -.025(2)  -.028(3)
  C30  .048(2)  .053(2)  .076(3)  -.013(2)  -.023(2)  -.016(2)
  C31  .042(2)  .036(2)  .042(2)  -.0090(10)
  -.018(2)  -.0040(10)
  C32  .050(2)  .056(2)  .057(2)  -.023(2)  -.016(2)  -.010(2)
  C33  .053(2)  .061(3)  .068(3)  -.028(2)  -.015(2)  .003(2)
  C34  .047(2)  .065(3)  .045(2)  -.011(2)  -.013(2)  .004(2)
  C35  .064(2)  .061(2)  .045(2)  -.021(2)  -.024(2)  -.004(2)
  C36  .064(2)  .047(2)  .045(2)  -.023(2)  -.022(2)  -.003(2)
  C37  .070(3)  .061(3)  .061(3)  -.029(2)  -.034(2)  .000(2)
  C38  .109(5)  .096(4)  .121(5)  -.048(4)  -.079(4)  .003(4)
  C39  .140(10)
  .102(9)  .150(10)
  -.036(7)  -.110(10)
  .015(7)
  C38'  .109(5)  .096(4)  .121(5)  -.048(4)  -.079(4)  .003(4)
  C39'  .140(10)
  .102(9)  .150(10)
  -.036(7)  -.110(10)
  .015(7)
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 . 2.4345(9) yes
  Ag1 P2 . 2.4671(9) yes
  Ag1 O1 . 2.508(4) yes
  Ag1 O2 . 2.425(3) yes
  P1 C1 . 1.832(4) no
  P1 C7 . 1.832(4) no
  P1 C13 . 1.830(4) no
  P2 C19 . 1.830(3) no
  P2 C25 . 1.829(4) no
  P2 C31 . 1.819(4) no
  O1 C37 . 1.210(6) no
  O2 C37 . 1.222(5) no
  C37 C38 . 1.493(6) no
  C1 C6 . 1.384(6) no
  C1 C2 . 1.390(5) no
  C2 C3 . 1.394(6) no
  C3 C4 . 1.368(8) no
  C4 C5 . 1.379(7) no
  C5 C6 . 1.388(6) no
  C7 C8 . 1.384(5) no
  C7 C12 . 1.391(5) no
  C8 C9 . 1.395(6) no
  C9 C10 . 1.374(7) no
  C10 C11 . 1.383(7) no
  C11 C12 . 1.384(6) no
  C13 C18 . 1.384(5) no
  C13 C14 . 1.389(5) no
  C14 C15 . 1.382(6) no
  C15 C16 . 1.379(7) no
  C16 C17 . 1.363(7) no
  C17 C18 . 1.383(6) no
  C19 C24 . 1.380(5) no
  C19 C20 . 1.382(5) no
  C20 C21 . 1.395(6) no
  C21 C22 . 1.362(7) no
  C22 C23 . 1.365(7) no
  C23 C24 . 1.389(5) no
  C25 C30 . 1.385(5) no
  C25 C26 . 1.389(5) no
  C26 C27 . 1.395(6) no
  C27 C28 . 1.373(7) no
  C28 C29 . 1.382(7) no
  C29 C30 . 1.389(6) no
  C31 C32 . 1.390(5) no
  C31 C36 . 1.386(5) no
  C32 C33 . 1.381(6) no
  C33 C34 . 1.386(6) no
  C34 C35 . 1.367(6) no
  C35 C36 . 1.393(6) no
  C38 O3 . 1.375(8) no
  C38 C39 . 1.510(9) no