#------------------------------------------------------------------------------
#$Date: 2008-11-20 21:58:43 +0200 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001850.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_2001850
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 464
_journal_page_last 467
loop_
_publ_author_name
'Wang, Q.'
'Xu, X.'
'Wang, X.'
_chemical_formula_moiety '2(C2 H8 N1),2(C16 H36 N1),Mo8 O26'
_chemical_formula_sum 'C36 H88 Mo8 N4 O26'
_chemical_formula_weight 1760.63
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_space_group_name_Hall ?
_cell_length_a 10.287(2)
_cell_length_b 14.033(4)
_cell_length_c 21.241(4)
_cell_angle_alpha  90
_cell_angle_beta 99.24(2)
_cell_angle_gamma  90
_cell_volume 3026.4
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.93
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1752
_exptl_absorpt_coefficient_mu 1.64
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo1 .61662(9) .24501(6) .49895(4)
Mo2 .56830(8) .10599(6) .61526(4)
Mo3 .32177(8) -.05807(6) .58194(4)
Mo4 .36873(8) .07775(6) .46606(4)
O1 .5800(9) .3603(5) .4803(4)
O2 .7801(7) .2451(7) .5333(4)
O3 .5022(8) .1232(5) .6826(3)
O4 .7358(7) .1075(6) .6408(4)
O5 .3170(7) -.0388(5) .6606(3)
O6 .1602(7) -.0563(5) .5459(3)
O7 .2056(6) .0692(5) .4358(3)
O8 .5428(7) .2269(5) .5757(3)
O9 .3661(7) -.1887(5) .5817(3)
O10 .4054(7) .1983(5) .4606(3)
O11 .4498(6) .0350(5) .3947(3)
O12 .3624(6) .0750(5) .5574(3)
O13 .5956(6) .0712(4) .5110(3)
N1 .3956(8) .4409(6) .6636(4)
C1 .2970(10)
   .5050(8) .6908(5)
C2 .2780(10)
   .6042(9) .6632(7)
C3 .1720(10)
   .6534(9) .6967(6)
C4 .1450(10)
   .7540(10)
   .6739(8)
C5 .5350(10)
   .4795(8) .6837(5)
C6 .6470(10)
   .4175(9) .6655(6)
C7 .7780(10)
   .4650(10)
   .6856(7)
C8 .8880(10)
   .4020(10)
   .6676(8)
C9 .3680(10)
   .4375(8) .5909(5)
C10 .2290(10)
.4030(10)
.5617(6)
C11 .2170(10)
.4140(10)
.4890(6)
C12 .089(2) .375(2) .4540(10)
C13 .3820(10)
.3398(7) .6894(5)
C14 .4250(10)
.3301(9) .7612(5)
C15 .3580(10)
.2470(10)
.7884(6)
C16 .2090(10)
.2690(10)
.7923(8)
N2 -.0200(10)
.4137(8) .0923(5)
C17 .0200(10)
.445(2) .1591(7)
C18 .0560(10)
.3340(10)
.0710(10)
H1a .33(2) .510(10)
  .735(9)
H1b .21(2) .470(10)
  .684(9)
H2a .25(2) .600(10)
  .619(9)
H2b .36(2) .640(10)
  .672(9)
H3a .20(2) .560(10)
  .741(9)
H3b .09(2) .620(10)
  .688(9)
H4a .08(2) .780(10)
  .695(9)
H4b .22(2) .790(10)
  .683(9)
H4c .12(2) .750(10)
  .629(9)
H5b .55(2) .490(10)
  .729(9)
H5a .54(2) .540(10)
  .664(9)
H6b .63(2) .410(10)
  .621(9)
H6a .65(2) .360(10)
  .689(9)
H7b .79(2) .470(10)
  .731(9)
H7a .78(2) .530(10)
  .665(9)
H8b .97(2) .430(10)
  .681(9)
H8c .89(2) .340(10)
  .689(9)
H8a .88(2) .400(10)
  .623(9)
H9b .38(2) .500(10)
  .575(9)
H9a .43(2) .400(10)
  .578(9)
H10b .16(2) .440(10)
   .577(9)
H10a .22(2) .340(10)
   .572(9)
H11b .29(2) .380(10)
   .475(9)
H11a .22(2) .480(10)
   .479(9)
H12b .09(2) .380(10)
   .410(9)
H12c .08(2) .310(10)
   .465(9)
H12a .02(2) .410(10)
   .468(9)
H13b .44(2) .300(10)
   .669(9)
H13a .29(2) .320(10)
   .680(9)
H14b .41(2) .390(10)
   .781(9)
H14a .52(2) .320(10)
   .771(9)
H15b .40(2) .230(10)
   .831(9)
H15a .36(2) .190(10)
   .763(9)
H16b .17(2) .220(10)
   .810(9)
H16c .21(2) .320(10)
   .820(9)
H16a .16(2) .280(10)
   .751(9)
H2Na -.0118 .4672 .0652
H2Nb -.1105 .3953 .0868
H17a -.0353 .4969 .1683
H17b .0098 .3939 .1873
H17c .1084 .4658 .1657
H18a .0212 .3200 .0265
H18b .1450 .3511 .0737
H18c .0464 .2792 .0953