data_2000108
_chemical_formula_sum 'C2 H14 N4 O8 Te1'
_journal_volume 309
_journal_year 1989
_journal_page_first 25
_journal_name_full 'C.R.Seances Acad.Sci.,Ser.II'
loop_
_publ_author_name
"M.-T.Averbuch-Pouchot"
"A.Durif"
_cell_volume   1022.491
_diffrn_ambient_temperature ?
_refine_ls_R_factor_gt 0.031
_refine_ls_wR_factor_gt 0.031
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 14.815(8)
_cell_length_b 8.882(5)
_cell_length_c 10.020(5)
_cell_angle_alpha 90
_cell_angle_beta 129.15(5)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
N 0.68
O 0.68
Te 1.47
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te1 Te 0.00000 0.43225(2) 0.25000
O1 O 0.1185(1) 0.4282(2) 0.4966(1)
O2 O 0.0788(1) 0.2864(2) 0.2178(1)
O3 O 0.0814(1) 0.5888(2) 0.2350(1)
O4 O 0.1612(1) 0.0338(2) 0.3907(1)
C1 C 0.1429(1) -0.0208(2) 0.4888(2)
N1 N 0.1269(2) -0.1674(2) 0.4900(2)
N2 N 0.1404(1) 0.0685(3) 0.5929(2)
H1 H 0.189(3) 0.460(4) 0.536(4)
H2 H 0.105(2) 0.234(4) 0.299(3)
H3 H 0.104(3) 0.560(4) 0.182(4)
H4 H 0.104(2) -0.193(4) 0.547(3)
H5 H 0.113(3) -0.245(4) 0.391(4)
H6 H 0.137(2) 0.043(4) 0.680(3)
H7 H 0.149(3) 0.164(6) 0.594(1)
O1B O -0.1185(1) 0.4282(2) 0.0034(1)
O2B O -0.0788(1) 0.2864(2) 0.2822(1)
O3B O -0.0814(1) 0.5888(2) 0.2650(1)
H1B H -0.189(3) 0.460(4) -0.036(4)
H2B H -0.105(2) 0.234(4) 0.201(3)
H3B H -0.104(3) 0.560(4) 0.318(4)