data_ACDERH01
_audit_creation_date              2023-01-16
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PNMA'
_symmetry_Int_Tables_number       62
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,-y,z+1/2
  -x,y+1/2,-z
  x+1/2,-y+1/2,-z+1/2
  -x,-y,-z
  x+1/2,y,-z+1/2
  x,-y+1/2,z
  -x+1/2,y+1/2,z+1/2
_cell_length_a                    7.6496
_cell_length_b                    14.2780
_cell_length_c                    9.0390
_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
O1     O     0.36236   0.35311   0.46229   0.00000  Uiso   1.00
C1     C     0.50900   0.33818   0.39623   0.00000  Uiso   1.00
C3     C     0.10288   0.14618   0.68924   0.00000  Uiso   1.00
C4     C     0.00683   0.14517   0.55673   0.00000  Uiso   1.00
C5     C     0.60634   0.42526   0.35122   0.00000  Uiso   1.00
H2     H     0.71715   0.40972   0.27860   0.00000  Uiso   1.00
H3     H     0.65375   0.46222   0.45028   0.00000  Uiso   1.00
H4     H     0.51738   0.47401   0.29466   0.00000  Uiso   1.00
H5     H     0.20848   0.09594   0.70730   0.00000  Uiso   1.00
H6     H     0.04556   0.17552   0.78960   0.00000  Uiso   1.00
H7     H     0.03641   0.09366   0.47087   0.00000  Uiso   1.00
H8     H    -0.12501   0.17428   0.55281   0.00000  Uiso   1.00
Rh1    Rh    0.20220   0.25000   0.54474   0.00000  Uiso   1.00
C2     C     0.58215   0.25000   0.36508   0.00000  Uiso   1.00
H1     H     0.70693   0.25000   0.30716   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
O1     C1      1.289   .     S
O1     Rh1     2.055   .     S
C1     C5      1.505   .     S
C1     C2      1.406   .     S
C3     C4      1.405   .     S
C3     H5      1.093   .     S
C3     H6      1.091   .     S
C3     Rh1     2.117   .     S
C4     H7      1.093   .     S
C4     H8      1.091   .     S
C4     Rh1     2.118   .     S
C5     H2      1.095   .     S
C5     H3      1.101   .     S
C5     H4      1.100   .     S
Rh1    O1      2.055   7     S
Rh1    C4      2.118   7     S
Rh1    C3      2.117   7     S
C2     C1      1.406   7     S
C2     H1      1.089   .     S
