data_ACABRH02
_audit_creation_date              2023-04-05
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P-1'
_symmetry_Int_Tables_number       2
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,-z
_cell_length_a                    6.5189
_cell_length_b                    7.7614
_cell_length_c                    9.2049
_cell_angle_alpha                 106.0400
_cell_angle_beta                  91.1500
_cell_angle_gamma                 100.2100
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     0.20275  -0.20674   0.07075   0.00000  Uiso   1.00
C2     C     0.28608   0.14073   0.19791   0.00000  Uiso   1.00
C3     C     0.23642  -0.11244  -0.33974   0.00000  Uiso   1.00
C4     C     0.32016   0.22568  -0.21553   0.00000  Uiso   1.00
C5     C     0.28741   0.07035  -0.34224   0.00000  Uiso   1.00
C6     C     0.19452  -0.26206  -0.48750   0.00000  Uiso   1.00
C7     C     0.36525   0.41282  -0.23881   0.00000  Uiso   1.00
H1     H     0.29890   0.09432  -0.45312   0.00000  Uiso   1.00
H2     H     0.25754  -0.38083  -0.47795   0.00000  Uiso   1.00
H3     H     0.26036  -0.21649  -0.58211   0.00000  Uiso   1.00
H4     H     0.02457  -0.30693  -0.51313   0.00000  Uiso   1.00
H5     H     0.22437   0.47396  -0.22180   0.00000  Uiso   1.00
H6     H     0.48733   0.50255  -0.15403   0.00000  Uiso   1.00
H7     H     0.41289   0.40832  -0.35308   0.00000  Uiso   1.00
O1     O     0.16790  -0.33450   0.11416   0.00000  Uiso   1.00
O2     O     0.30333   0.23312   0.32189   0.00000  Uiso   1.00
O3     O     0.21790  -0.16790  -0.22030   0.00000  Uiso   1.00
O4     O     0.31336   0.22473  -0.07613   0.00000  Uiso   1.00
Rh1    Rh    0.25765  -0.00369   0.00061   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     O1      1.156   .     S
C1     Rh1     1.844   .     S
C2     O2      1.159   .     S
C2     Rh1     1.838   .     S
C3     C5      1.405   .     S
C3     C6      1.508   .     S
C3     O3      1.287   .     S
C4     C5      1.408   .     S
C4     C7      1.505   .     S
C4     O4      1.287   .     S
C5     H1      1.089   .     S
C6     H2      1.097   .     S
C6     H3      1.095   .     S
C6     H4      1.101   .     S
C7     H5      1.101   .     S
C7     H6      1.098   .     S
C7     H7      1.096   .     S
O3     Rh1     2.063   .     S
O4     Rh1     2.061   .     S
