#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000750.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_2000750
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1223
_journal_page_last  1227
loop_
_publ_author_name
 'Churchill, M.E.A.'
 'Pritchard, R.G.'
 'Helliwell, M.'
_chemical_formula_sum  'C20 H44 Ba2 N10 O28 P2'
_chemical_formula_weight  1209.22
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  21.37(2)
_cell_length_b  22.040(10)
_cell_length_c  8.660(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  4076.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.970
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  24000
_exptl_absorpt_coefficient_mu  2.101
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Ba(1) .10833(6) .23553(7) .2382(2)
 P(1)A .1340(3) .4616(3) .5672(7)
 O(1')A .3075(7) .3790(10)
       .669(2)
 O(2')A .3985(7) .4127(8) .329(2)
 O(3')A .4110(7) .4760(10)
       .593(2)
 O(5')A .2082(7) .4543(7) .556(2)
 O(6)A .2585(8) .1272(7) .236(2)
 O(8)A .1111(8) .4287(8) .425(2)
 O(9)A .1156(7) .4284(7) .714(2)
 O(10)A .1194(7) .5299(8) .575(2)
 N(1)A .3580(10)
      .1470(10)
        .312(2)
 N(2)A .4610(10)
      .1580(10)
        .390(4)
 N(3)A .3920(10)
      .2340(10)
        .438(2)
 N(7)A .2301(9) .2590(10)
         .358(2)
 N(9)A .3094(8) .3116(9) .464(2)
 C(1')A .3400(10)
       .3610(10)
         .532(3)
 C(2)A .4020(10)
      .1830(10)
        .385(3)
 C(2')A .3440(10)
       .4160(10)
         .428(2)
 C(3')A .3490(10)
       .4690(10)
         .543(3)
 C(4)A .3320(10)
      .2530(10)
        .422(3)
 C(4')A .3110(10)
       .4460(10)
         .675(2)
 C(5)A .2860(10)
      .2230(10)
        .351(2)
 C(5')A .2440(10)
       .4710(10)
         .693(3)
 C(6)A .2940(10)
      .1690(10)
        .296(3)
 C(8)A .2490(10)
      .3090(10)
        .429(3)
 Ba(2) .00976(6) .43552(7) .2137(2)
 P(1)B .1217(2) .0290(3) -.2328(7)
 O(1')B .2741(7) .1297(8) -.362(2)
 O(2')B .3858(7) .0966(7) -.070(2)
 O(3')B .3946(8) .0530(8) -.357(2)
 O(5')B .1968(6) .0370(7) -.246(2)
 O(6)B .2430(8) .3734(9) .103(2)
 O(11)B .1058(7) -.0340(7) -.289(2)
 O(12)B .0930(6) .0774(7) -.331(2)
 O(13)B .1090(8) .0345(8) -.058(2)
 N(1)B .3390(10)
      .3570(10)
        -.007(2)
 N(2)B .4350(10)
      .3510(10)
        -.127(2)
 N(3)B .3670(10)
      .2690(10)
        -.147(2)
 N(7)B .2103(9) .2430(10)
         -.013(2)
 N(9)B .2842(8) .1968(9) -.154(2)
 C(1')B .3170(10)
       .1450(10)
         -.244(3)
 C(2)B .3800(10)
      .3220(10)
        -.094(3)
 C(2')B .3310(10)
       .0920(10)
         -.155(3)
 C(3')B .3340(10)
       .0440(10)
         -.281(3)
 C(4)B .3100(10)
      .2470(10)
        -.109(2)
 C(4')B .2850(10)
       .0670(10)
         -.395(2)
 C(5)B .2630(10)
      .2760(10)
        -.022(3)
 C(5')B .2230(10)
       .0320(10)
         -.397(3)
 C(6)B .2770(10)
      .3390(10)
        .033(3)
 C(8)B .2250(10)
      .1930(10)
        -.089(3)
 O(1W) .1190(10)
      .3600(10)
        .127(3)
 O(2W) -.0136(8) .3049(8) .169(2)
 O(3W) .1413(8) .1740(10)
         .516(2)
 O(4W) .0030(10)
      .1980(10)
        .409(2)
 O(5W) .1318(9) .1157(8) .169(2)
 O(6W) .0530(10)
      .2400(10)
        -.056(2)
 O(7W) .0880(8) .3104(9) .479(2)
 O(8W) .0128(9) .4340(10)
         -.108(2)
 O(9W) .0060(8) .5283(8) .434(2)
 O(10W) -.0483(8) .5430(10)
        .105(2)
 O(11W) .0048(8) .1588(8) -.290(2)
 O(12W) .1310(10)
       .3170(10)
         .784(3)
 H(1) .4938 .1795 .4376
 H(2) .4679 .1195 .3443
 H(3) .4424 .3908 -.0915
 H(4) .4657 .3302 -.1864
 H(5) .3700 .1082 .2719
 H(6) .3525 .3952 .0292
 H(7) .2207 .3411 .4524
 H(8) .1983 .1582 -.0967
 H(9) .3812 .3481 .5593
 H(10) .3543 .1598 -.2882
 H(11) .3071 .4198 .3684
 H(12) .2969 .0829 -.0869
 H(13) .3322 .5052 .5013
 H(14) .3273 .0035 -.2454
 H(15) .3326 .4569 .7669
 H(16) .3026 .0637 -.4955
 H(17) .2444 .5137 .7036
 H(18) .2245 .4533 .7819
 H(19) .2292 -.0096 -.4227
 H(20) .1949 .0494 -.4712