data_DOTT-C
_audit_creation_date              2025-02-03
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    6.5805
_cell_length_b                    5.6651
_cell_length_c                    9.9546
_cell_angle_alpha                 90.3953
_cell_angle_beta                  86.8054
_cell_angle_gamma                 89.9913
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    -0.60536   0.50000   0.49999   0.00000  Uiso   1.00
C2     C    -0.21773   0.36164   0.50008   0.00000  Uiso   1.00
C3     C    -0.78238   0.36181   0.49991   0.00000  Uiso   1.00
C4     C    -0.39465   0.49997   0.50001   0.00000  Uiso   1.00
C5     C    -0.78228   0.63839   0.49992   0.00000  Uiso   1.00
C6     C    -0.21762   0.63822   0.50009   0.00000  Uiso   1.00
C7     C     0.88877   0.85835   0.50002   0.00000  Uiso   1.00
C8     C     0.11132   0.85848   0.49996   0.00000  Uiso   1.00
C9     C     0.11120   0.14163   0.49998   0.00000  Uiso   1.00
C10    C     0.88868   0.14150   0.50004   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     C3      1.404   .     S
C1     C5      1.404   .     S
C1     C4      1.387   .     D
C2     C4      1.403   .     S
C2     C6      1.567   .     D
C2     C10     1.430   1_455 S
C3     C5      1.567   .     D
C3     C9      1.431   1_455 S
C4     C6      1.404   .     S
C5     C8      1.430   1_455 D
C6     C7      1.430   1_455 S
C7     C6      1.430   1_655 S
C7     C8      1.464   1_655 D
C7     C10     1.604   1_565 S
C8     C5      1.430   1_655 D
C8     C7      1.464   1_455 D
C8     C9      1.604   1_565 S
C9     C3      1.431   1_655 S
C9     C8      1.604   1_545 S
C9     C10     1.464   1_455 S
C10    C2      1.430   1_655 S
C10    C7      1.604   1_545 S
C10    C9      1.464   1_655 S
