data_COF\2
_audit_creation_date              2019-03-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'FDD2'
_symmetry_Int_Tables_number       43
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z
  x+1/4,-y+1/4,z+1/4
  -x+1/4,y+1/4,z+1/4
  x,y+1/2,z+1/2
  -x,-y+1/2,z+1/2
  x+1/4,-y+3/4,z+3/4
  -x+1/4,y+3/4,z+3/4
  x+1/2,y,z+1/2
  -x+1/2,-y,z+1/2
  x+3/4,-y+1/4,z+3/4
  -x+3/4,y+1/4,z+3/4
  x+1/2,y+1/2,z
  -x+1/2,-y+1/2,z
  x+3/4,-y+3/4,z+1/4
  -x+3/4,y+3/4,z+1/4
_cell_length_a                    29.3743
_cell_length_b                    56.2945
_cell_length_c                    9.1306
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
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_adp_type
_atom_site_occupancy
C1     C    -0.39139   0.16573  -0.82679   0.00000  Uiso   1.00
C2     C    -0.43317   0.15028  -0.80481   0.00000  Uiso   1.00
C3     C    -0.38680   0.16882  -1.08375   0.00000  Uiso   1.00
N4     N    -0.37099   0.16062  -0.96468   0.00000  Uiso   1.00
C5     C    -0.43979   0.12990  -0.62598   0.00000  Uiso   1.00
N6     N    -0.42532   0.13503  -0.75369   0.00000  Uiso   1.00
C7     C    -0.36710   0.16185  -1.22177   0.00000  Uiso   1.00
C8     C    -0.35776   0.18056  -1.31870   0.00000  Uiso   1.00
C9     C    -0.42976   0.10770  -0.61024   0.00000  Uiso   1.00
C10    C    -0.44800   0.09108  -0.51152   0.00000  Uiso   1.00
C11    C    -0.33134   0.17494  -1.44188   0.00000  Uiso   1.00
C12    C    -0.31645   0.15165  -1.46667   0.00000  Uiso   1.00
C13    C    -0.32654   0.13315  -1.37012   0.00000  Uiso   1.00
C14    C    -0.35341   0.13850  -1.24748   0.00000  Uiso   1.00
C15    C    -0.43958   0.06736  -0.54614   0.00000  Uiso   1.00
C16    C    -0.41960   0.06154  -0.68039   0.00000  Uiso   1.00
C17    C    -0.40292   0.07854  -0.77787   0.00000  Uiso   1.00
C18    C    -0.40911   0.10272  -0.74464   0.00000  Uiso   1.00
O19    O    -0.36854   0.12352  -1.13504   0.00000  Uiso   1.00
O20    O    -0.39490   0.11933  -0.84893   0.00000  Uiso   1.00
C21    C    -0.34206   0.21301  -1.58048   0.00000  Uiso   1.00
C22    C    -0.31462   0.19400  -1.53527   0.00000  Uiso   1.00
C23    C    -0.26883   0.19223  -1.57763   0.00000  Uiso   1.00
C24    C    -0.25073   0.21076  -1.66235   0.00000  Uiso   1.00
C25    C    -0.27862   0.22925  -1.71069   0.00000  Uiso   1.00
C26    C    -0.32458   0.23078  -1.67072   0.00000  Uiso   1.00
C27    C    -0.49730   0.05004  -0.38981   0.00000  Uiso   1.00
C28    C    -0.45280   0.04953  -0.44217   0.00000  Uiso   1.00
C29    C    -0.41991   0.03407  -0.38305   0.00000  Uiso   1.00
C30    C    -0.43251   0.01842  -0.26986   0.00000  Uiso   1.00
C31    C    -0.47703   0.02027  -0.21566   0.00000  Uiso   1.00
C32    C    -0.51123   0.03444  -0.27897   0.00000  Uiso   1.00
H33    H    -0.36583   0.16205  -0.73561   0.00000  Uiso   1.00
H34    H    -0.40173   0.18524  -0.82363   0.00000  Uiso   1.00
H35    H    -0.44880   0.14604  -0.91606   0.00000  Uiso   1.00
H36    H    -0.45918   0.16025  -0.73548   0.00000  Uiso   1.00
H37    H    -0.41668   0.18174  -1.08174   0.00000  Uiso   1.00
H38    H    -0.45700   0.14410  -0.55626   0.00000  Uiso   1.00
H39    H    -0.37147   0.19912  -1.29513   0.00000  Uiso   1.00
H40    H    -0.46799   0.09741  -0.41188   0.00000  Uiso   1.00
H41    H    -0.29542   0.14733  -1.56818   0.00000  Uiso   1.00
H42    H    -0.31305   0.11451  -1.39240   0.00000  Uiso   1.00
H43    H    -0.41634   0.04214  -0.71459   0.00000  Uiso   1.00
H44    H    -0.38469   0.07272  -0.88208   0.00000  Uiso   1.00
H45    H    -0.36254   0.13219  -1.02755   0.00000  Uiso   1.00
H46    H    -0.39011   0.13687  -0.79551   0.00000  Uiso   1.00
H47    H    -0.37907   0.21404  -1.54344   0.00000  Uiso   1.00
H48    H    -0.24779   0.17615  -1.54318   0.00000  Uiso   1.00
H49    H    -0.21303   0.21078  -1.69208   0.00000  Uiso   1.00
H50    H    -0.34751   0.24587  -1.70937   0.00000  Uiso   1.00
H51    H    -0.52279   0.06324  -0.43714   0.00000  Uiso   1.00
H52    H    -0.38358   0.03433  -0.42689   0.00000  Uiso   1.00
H53    H    -0.40690   0.00496  -0.22606   0.00000  Uiso   1.00
H54    H    -0.54854   0.03374  -0.24481   0.00000  Uiso   1.00
C55    C     0.50000   0.50000   0.41826   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C1     C2      1.518   .     S
C1     N4      1.424   .     S
C1     H33     1.140   .     S
C1     H34     1.140   .     S
C2     N6      1.004   .     S
C2     H35     1.140   .     S
C2     H36     1.140   .     S
C3     N4      1.269   .     D
C3     C7      1.441   .     S
C3     H37     1.140   .     S
C5     N6      1.274   .     D
C5     C9      1.292   .     S
C5     H38     1.140   .     S
C7     C8      1.403   .     A
C7     C14     1.395   .     A
C8     C11     1.403   .     A
C8     H39     1.140   .     S
C9     C10     1.405   .     A
C9     C18     1.397   .     A
C10    C15     1.394   .     A
C10    H40     1.140   .     S
C11    C12     1.401   .     A
C11    C22     1.456   .     S
C12    C13     1.396   .     A
C12    H41     1.140   .     S
C13    C14     1.403   .     A
C13    H42     1.140   .     S
C14    O19     1.401   .     S
C15    C16     1.398   .     A
C15    C28     1.435   .     S
C16    C17     1.396   .     A
C16    H43     1.140   .     S
C17    C18     1.406   .     A
C17    H44     1.140   .     S
C18    O20     1.398   .     S
O19    H45     1.110   .     S
O20    H46     1.110   .     S
C21    C22     1.402   .     A
C21    C26     1.394   .     A
C21    H47     1.140   .     S
C22    C23     1.403   .     A
C23    C24     1.404   .     A
C23    H48     1.140   .     S
C24    C25     1.396   .     A
C24    H49     1.140   .     S
C25    C26     1.401   .     A
C25    C55     1.815   7_452 S
C26    H50     1.140   .     S
C27    C28     1.392   .     A
C27    C32     1.401   .     A
C27    H51     1.140   .     S
C28    C29     1.408   .     A
C29    C30     1.408   .     A
C29    H52     1.140   .     S
C30    C31     1.402   .     A
C30    H53     1.140   .     S
C31    C32     1.407   .     A
C31    C55     1.803   5_444 S
C32    H54     1.140   .     S
C55    C25     1.815   15_557 S
C55    C25     1.815   4_557 S
C55    C31     1.803   5_655 S
C55    C31     1.803   6     S
