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data_dr29
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   8.8383(19)
_cell_length_b                   16.434(3)
_cell_length_c                   11.551(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.825(3)
_cell_angle_gamma                90.00
_cell_volume                     1605.95
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 As 0.30546(3) 0.098173(17) 0.62167(2)
Cl1 Cl 0.35256(8) 0.17405(4) 0.79392(6)
N1 N 0.4108(2) 0.15856(13) 0.53900(18)
N2 N 0.4599(2) 0.02281(13) 0.67398(19)
C1 C 0.5741(3) 0.17399(15) 0.5854(2)
C2 C 0.6404(3) 0.24131(18) 0.5461(3)
H2 H 0.5745 0.2773 0.4906
C3 C 0.8027(4) 0.25684(19) 0.5869(3)
H3 H 0.8444 0.3027 0.5582
C4 C 0.9001(3) 0.2065(2) 0.6673(3)
H4 H 1.0089 0.2179 0.6946
C5 C 0.8403(3) 0.13705(18) 0.7107(2)
C6 C 0.9456(3) 0.0840(2) 0.7910(3)
H6 H 1.0539 0.0966 0.8175
C7 C 0.8923(4) 0.0154(2) 0.8300(3)
H7 H 0.9641 -0.0195 0.8831
C8 C 0.7309(3) -0.00443(18) 0.7923(3)
H8 H 0.6965 -0.0525 0.8210
C9 C 0.6209(3) 0.04539(16) 0.7135(2)
C10 C 0.6740(3) 0.11872(15) 0.6699(2)
C11 C 0.3100(3) 0.21487(18) 0.4477(2)
H11 H 0.3700 0.2299 0.3906
C12 C 0.2720(4) 0.29306(19) 0.5041(3)
H12A H 0.3696 0.3192 0.5494
H12B H 0.2092 0.2805 0.5580
H12C H 0.2131 0.3293 0.4408
C13 C 0.1589(4) 0.1727(2) 0.3752(3)
H13A H 0.1855 0.1231 0.3398
H13B H 0.0999 0.2086 0.3115
H13C H 0.0951 0.1594 0.4283
C14 C 0.4090(4) -0.05422(18) 0.7182(3)
H14 H 0.4878 -0.0963 0.7150
C15 C 0.4063(5) -0.0478(2) 0.8497(3)
H15A H 0.5091 -0.0303 0.9000
H15B H 0.3813 -0.1006 0.8771
H15C H 0.3267 -0.0086 0.8555
C16 C 0.2492(4) -0.0825(2) 0.6356(4)
H16A H 0.2547 -0.0865 0.5531
H16B H 0.1682 -0.0436 0.6392
H16C H 0.2236 -0.1354 0.6622

#END
