data_2010305
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1913
_journal_page_last  1915
_publ_section_title
;
Diaquadiphenylbis(p-toluenesulfonato)lead-Water(1/1)
;
loop_
_publ_author_name
  'Huber, F.'
  'Remer, J.'
  'Sch\"urmann, M.'
_chemical_formula_sum  'C26 H30 O9 Pb S2'
_chemical_formula_weight  757.81
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
_cell_length_a  7.144(2)
_cell_length_b  11.328(3)
_cell_length_c  32.658(9)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2642.9(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  291.0(10)
_exptl_crystal_density_diffrn  1.905
_refine_ls_R_factor_obs  0.0360
_refine_ls_wR_factor_obs  0.0670
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Pb(1) -.10660(5) .12863(3) .123961(10) .02401(9)
  S(1) .3925(4) .2386(2) .13672(6) .0238(5)
  S(2) .1973(3) -.1410(2) .11534(6) .0250(5)
  O(1) .2039(8) .2252(5) .1191(2) .0279(14)
  O(2) .4548(7) .3619(6) .1341(2) .0295(15)
  O(3) .5307(7) .1572(5) .1184(2) .031(2)
  O(6) .0617(8) -.2324(5) .1272(2) .031(2)
  O(7) .3875(9) -.1669(5) .1283(2) .0389(15)
  O(8) .1355(9) -.0234(5) .1295(2) .031(2)
  C(11) -.1162(13) .1392(8) .1897(2) .024(2)
  C(12) -.0615(4) .0455(9) .2124(3) .039(3)
  C(13) -.0692(15) .0548(11) .2557(3) .052(3)
  C(14) -.1339(16) .1546(10) .2731(3) .044(3)
  C(15) -.1805(16) .2497(10) .2508(3) .048(3)
  C(16) -.17(4)  .2459(9) .2087(3) .033(2)
  C(21) .3791(15) .2012(7) .1893(3) .026(2)
  C(22) .4201(14) .0896(7) .2023(3) .026(2)
  C(23) .4151(15) .0645(8) .2439(3) .034(2)
  C(24) .3679(14) .1489(8) .2725(2) .029(2)
  C(25) .3228(14) .2605(9) .2586(3) .038(3)
  C(26) .3331(14) .2875(8) .2176(3) .037(3)
  C(27) .3606(17) .1197(11) .3176(3) .058(3)
  C(31) -.1146(13) .1218(8) .0583(2) .026(2)
  C(32) -.0342(13) .2100(9) .0365(3) .036(2)
  C(33) -.0435(15) .2094(9) -.0057(3) .042(3)
  C(34) -.1318(14) .1172(9) -.0257(3) .040(2)
  C(35) -.2112(7) .0310(9) -.0038(3) .041(3)
  C(36) -.2078(14) .0306(8) .0387(3) .032(3)
  C(41) .1998(11) -.1354(9) .0613(2) .024(2)
  C(42) .2786(14) -.0408(8) .0412(3) .032(2)
  C(43) .2731(15) -.0339(8) -.0008(3) .034(2)
  C(44) .1846(12) -.1208(10) -.0243(3) .030(2)
  C(45) .1106(17) -.2162(8) -.0036(3) .035(2)
  C(46) .1134(14) -.2234(7) .0390(2) .027(2)
  C(47) .1669(14) -.1127(10) -.0700(2) .048(3)
  O(22) -.1622(9) .3451(5) .1171(2) .044(2)
  O(33) -.2576(9) -.0714(5) .1304(2) .039(2)
  O(11) .1202(12) .5082(6) .1219(4) .076(3)
  H(12) -.0198(14) -.0234(9) .1999(3) .032(6)
  H(13) -.0297(15) -.0078(11) .2720(3) .032(6)
  H(14) -.1466(16) .1577(10) .3014(3) .032(6)
  H(15) -.2214(16) .3181(10) .2638(3) .032(6)
  H(16) -.1928(13) .3127(9) .1931(3) .032(6)
  H(22) .4511(14) .0310(7) .1835(3) .032(6)
  H(23) .4443(15) -.0113(8) .2527(3) .032(6)
  H(25) .2850(14) .3181(9) .2771(3) .032(6)
  H(26) .3092(14) .3641(8) .2088(3) .032(6)
  H(27A) .3255(17) .1889(11) .3328(3) .12(2)
  H(27B) .4816(17) .0933(11) .3266(3) .12(2)
  H(27C) .2702(17) .0585(11) .3222(3) .12(2)
  H(32) .0274(13) .2710(9) .0500(3) .032(6)
  H(33) .0093(15) .2707(9) -.0207(3) .032(6)
  H(34) -.1358(14) .1152(9) -.0542(3) .032(6)
  H(35) -.2706(17) -.0305(9) -.0175(3) .032(6)
  H(36) -.2662(14) -.0289(8) .0535(3) .032(6)
  H(42) .3361(14) .0189(8) .0562(3) .032(6)
  H(43) .3294(15) .0299(8) -.0139(3) .032(6)
  H(45) .0573(17) -.2775(8) -.0185(3) .032(6)
  H(46) .0576(14) -.2870(7) .0523(2) .032(6)
  H(47A) .2255(14) -.0415(10) -.0794(2) .12(2)
  H(47B) .0368(14) -.1119(10) -.0774(2) .12(2)
  H(47C) .2269(14) -.1796(10) -.0824(2) .12(2)
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
  Pb(1) C(31) . . 2.146(7) yes
  Pb(1) C(11) . . 2.151(7) yes
  Pb(1) O(8) . . 2.447(6) yes
  Pb(1) O(1) . . 2.478(6) yes
  Pb(1) O(22) . . 2.494(5) yes
  Pb(1) O(33) . . 2.518(6) yes
  Pb(1) O(3) . 1_455 2.617(5) yes
  O(11) O(2) . . 2.935(10) yes
  O(11) O(22) . . 2.740(10) yes
  O(11) O(6) . 1_565 2.973(9) yes
  S(1) O(2) . . 1.469(6) yes
  S(1) O(1) . . 1.473(6) yes
  S(1) O(3) . . 1.477(6) yes
  S(2) O(7) . . 1.453(6) yes
  S(2) O(6) . . 1.469(6) yes
  S(2) O(8) . . 1.478(6) yes
  S(1) C(21) . . 1.770(8) yes
  S(2) C(41) . . 1.765(8) yes