# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2010


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data_global
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2'
_symmetry_Int_Tables_number      5
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,-z
4 1/2-x,1/2+y,-z
_cell_length_a                   6.7001
_cell_length_b                   21
_cell_length_c                   6.6679
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.7634
_cell_angle_gamma                90.0000
_cell_volume                     841.399
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.75678 0.47309 0.77657
C1 C 0.75783 0.54646 0.77693
C2 C 0.72113 0.58134 0.94193
C3 C 0.79553 0.58128 0.61215
H1 H 0.64269 0.45709 0.81712
H2 H 0.74084 0.45701 0.63829
H3 H 0.69137 0.55390 1.07192
H4 H 0.82447 0.55383 0.48210
N2 N 0.76084 0.75914 0.77795
C4 C 0.75979 0.68577 0.77760
C5 C 0.79649 0.65089 0.61258
C6 C 0.72211 0.65095 0.94238
H5 H 0.87493 0.77514 0.73741
H6 H 0.77687 0.77525 0.91636
H7 H 0.82625 0.67834 0.48261
H8 H 0.69324 0.67843 1.07255
Cd2 Cd 0.50000 0.81783 0.50000
Cl1 Cl 0.75 0.909 0.75
Cd1 Cd 1.00000 0.40994 1.00000
Cl2 Cl 0.25 0.817 0.75

#END