
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
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#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_m23338 : space group Pnma
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_space_group_name_Hall           '-P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   15.1119(3)
_cell_length_b                   17.3126(4)
_cell_length_c                   10.4967(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2746.21
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
SN1 Sn 0.53913 0.25 0.6076 0.0136 Uani
O1 O 0.61322 0.173 0.49288 0.0175 Uani
O2 O 0.61322 0.327 0.49288 0.0175 Uani
N1 N 0.55432 0.0706 0.60954 0.0170 Uani
N2 N 0.507 0.12861 0.66659 0.0157 Uani
N3 N 0.43881 0.25 0.76677 0.0160 Uani
N4 N 0.507 0.37139 0.66659 0.0157 Uani
N5 N 0.55432 0.4294 0.60954 0.0170 Uani
C1 C 0.60728 0.10028 0.52196 0.0159 Uani
C2 C 0.66802 0.04613 0.4566 0.0165 Uani
C3 C 0.7316 0.07466 0.37227 0.0194 Uani
C4 C 0.79333 0.02521 0.31875 0.0245 Uani
C5 C 0.79113 -0.05319 0.34707 0.0269 Uani
C6 C 0.72615 -0.08248 0.42739 0.0248 Uani
C7 C 0.66468 -0.03324 0.48223 0.0198 Uani
C8 C 0.45305 0.11356 0.75842 0.0170 Uani
C9 C 0.43663 0.03516 0.81209 0.0220 Uani
C10 C 0.41003 0.18263 0.81308 0.0169 Uani
C11 C 0.3462 0.18063 0.90807 0.0204 Uani
C12 C 0.31366 0.25 0.95436 0.0224 Uani
C13 C 0.3462 0.31937 0.90807 0.0204 Uani
C14 C 0.41003 0.31737 0.81308 0.0169 Uani
C15 C 0.45305 0.38644 0.75842 0.0170 Uani
C16 C 0.43663 0.46484 0.8121 0.0220 Uani
C17 C 0.60728 0.39972 0.52196 0.0159 Uani
C18 C 0.66802 0.45387 0.4566 0.0165 Uani
C19 C 0.7316 0.42535 0.37228 0.0194 Uani
C20 C 0.79333 0.47478 0.31875 0.0245 Uani
C21 C 0.79112 0.55319 0.34707 0.0269 Uani
C22 C 0.72615 0.58247 0.42738 0.0248 Uani
C23 C 0.66468 0.53324 0.48223 0.0198 Uani
CL1 Cl 0.65062 0.25 0.76993 0.0195 Uani
CL2 Cl 0.42089 0.25 0.45621 0.0237 Uani

#END
