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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001970.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_2001970
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 314
_journal_page_last 316
loop_
_publ_author_name
'Ribar, B.'
'Kapor, A.'
'Scott, B.'
'Willett, D.'
_chemical_formula_moiety ?
_chemical_formula_sum 'H14 N6 O25 Y2'
_chemical_formula_weight 675.94
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'C 2 2 21'
_symmetry_space_group_name_Hall 'C 2c 2'
_cell_length_a 9.295(2)
_cell_length_b 11.029(3)
_cell_length_c 20.010(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 2051.3(8)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 2.188
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1336
_exptl_absorpt_coefficient_mu 5.788
_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
_atom_site_U_iso_or_equiv
Y(1) .1357(2) .0 .5000 .0285(4)
Y(2) .0 .3708(2) .2500 .0237(4)
N(3) .0867(16) -.2334(13) .4392(7) .051(4)
N(4) .1287(13) .4053(11) .3822(6) .035(3)
N(5) .0 .6268(16) .2500 .042(5)
N(6) .0 .1064(17) .2500 .043(5)
O(7) .1973(13) -.1650(10) .4265(6) .053(3)
O(8) .0601(17) -.3211(12) .4039(6) .082(5)
O(9) .0110(13) -.1998(11) .4875(6) .064(3)
O(10) -.0093(11) .4082(9) .3703(5) .050(3)
O(11) .1726(12) .4200(12) .4383(5) .055(4)
O(12) .2024(12) .3846(13) .3333(5) .057(4)
O(14) .0 .7428(12) .2500 .056(5)
O(15) .1096(12) .5699(9) .2394(8) .070(4)
O(16) .0389(11) .1710(9) .2998(5) .040(3)
O(17) .0 -.0020(16) .2500 .086(7)
OW(1) .2253(12) -.1108(10) .5928(5) .048(3)
OW(2) -.0497(12) -.0139(15) .5800(6) .077(4)
OW(3) .2229(10) .3205(10) .2063(5) .039(3)
OW(4) .3895(13) .0 .5000 .036(3)