data_ACACRH10
_audit_creation_date              2023-01-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P21/C'
_symmetry_Int_Tables_number       14
_symmetry_cell_setting            monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,y+1/2,-z+1/2
  -x,-y,-z
  x,-y+1/2,z+1/2
_cell_length_a                    13.9250
_cell_length_b                    7.4830
_cell_length_c                    16.3920
_cell_angle_alpha                 90.0000
_cell_angle_beta                  98.6300
_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     0.02393   0.31255   0.43532   0.00000  Uiso   1.00
C2     C    -0.06565   0.36473   0.37690   0.00000  Uiso   1.00
C3     C     0.08738   0.17925   0.57373   0.00000  Uiso   1.00
C4     C     0.06051   0.11208   0.65423   0.00000  Uiso   1.00
C5     C     0.01305   0.23505   0.51150   0.00000  Uiso   1.00
C6     C     0.32951   0.57308   0.56106   0.00000  Uiso   1.00
C7     C     0.32615   0.76280   0.59138   0.00000  Uiso   1.00
C8     C     0.43089   0.29404   0.56164   0.00000  Uiso   1.00
C9     C     0.52879   0.21180   0.59111   0.00000  Uiso   1.00
C10    C     0.41553   0.47406   0.58083   0.00000  Uiso   1.00
C11    C     0.30234   0.26246   0.31082   0.00000  Uiso   1.00
C12    C     0.35145   0.35215   0.24569   0.00000  Uiso   1.00
C13    C     0.22768  -0.02495   0.35205   0.00000  Uiso   1.00
C14    C     0.20109  -0.21542   0.32848   0.00000  Uiso   1.00
C15    C     0.27028   0.08468   0.29777   0.00000  Uiso   1.00
H1     H    -0.12153   0.41980   0.41025   0.00000  Uiso   1.00
H2     H    -0.09597   0.24532   0.34345   0.00000  Uiso   1.00
H3     H    -0.00617   0.03179   0.64357   0.00000  Uiso   1.00
H4     H     0.12008   0.03368   0.68800   0.00000  Uiso   1.00
H5     H     0.04797   0.22592   0.69389   0.00000  Uiso   1.00
H6     H    -0.06119   0.21881   0.52395   0.00000  Uiso   1.00
H7     H     0.39837   0.81172   0.61764   0.00000  Uiso   1.00
H8     H     0.27852   0.77056   0.63913   0.00000  Uiso   1.00
H9     H     0.29459   0.85199   0.54126   0.00000  Uiso   1.00
H10    H     0.54821   0.11550   0.54580   0.00000  Uiso   1.00
H11    H     0.58548   0.31417   0.60316   0.00000  Uiso   1.00
H12    H     0.52630   0.13716   0.64869   0.00000  Uiso   1.00
H13    H     0.47757   0.54457   0.61448   0.00000  Uiso   1.00
H14    H     0.36551   0.49301   0.26147   0.00000  Uiso   1.00
H15    H     0.30647   0.34226   0.18472   0.00000  Uiso   1.00
H16    H     0.42094   0.28544   0.24141   0.00000  Uiso   1.00
H17    H     0.12179  -0.23188   0.31999   0.00000  Uiso   1.00
H18    H     0.22745  -0.25500   0.27141   0.00000  Uiso   1.00
H19    H     0.23047  -0.30725   0.37827   0.00000  Uiso   1.00
H20    H     0.28158   0.02538   0.23922   0.00000  Uiso   1.00
O1     O     0.10430   0.34269   0.40787   0.00000  Uiso   1.00
O2     O     0.17938   0.18293   0.57101   0.00000  Uiso   1.00
O3     O     0.24977   0.51785   0.51840   0.00000  Uiso   1.00
O4     O     0.36816   0.18684   0.52238   0.00000  Uiso   1.00
O5     O     0.29531   0.35983   0.37423   0.00000  Uiso   1.00
O6     O     0.20816   0.01997   0.42368   0.00000  Uiso   1.00
Rh1    Rh    0.23391   0.26844   0.47009   0.00000  Uiso   1.00
H43    H     1.04710   0.96107   0.16853   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      1.506   .     S
C1     C5      1.406   .     S
C1     O1      1.287   .     S
C2     H1      1.096   .     S
C2     H2      1.099   .     S
C2     H43     1.095   2_645 S
C3     C4      1.511   .     S
C3     C5      1.403   .     S
C3     O2      1.289   .     S
C4     H3      1.098   .     S
C4     H4      1.096   .     S
C4     H5      1.101   .     S
C5     H6      1.090   .     S
C6     C7      1.507   .     S
C6     C10     1.404   .     S
C6     O3      1.288   .     S
C7     H7      1.096   .     S
C7     H8      1.101   .     S
C7     H9      1.098   .     S
C8     C9      1.508   .     S
C8     C10     1.407   .     S
C8     O4      1.285   .     S
C9     H10     1.097   .     S
C9     H11     1.096   .     S
C9     H12     1.102   .     S
C10    H13     1.089   .     S
C11    C12     1.509   .     S
C11    C15     1.409   .     S
C11    O5      1.285   .     S
C12    H14     1.096   .     S
C12    H15     1.099   .     S
C12    H16     1.100   .     S
C13    C14     1.508   .     S
C13    C15     1.405   .     S
C13    O6      1.289   .     S
C14    H17     1.099   .     S
C14    H18     1.096   .     S
C14    H19     1.098   .     S
C15    H20     1.090   .     S
O1     Rh1     2.013   .     S
O2     Rh1     2.025   .     S
O3     Rh1     2.027   .     S
O4     Rh1     2.030   .     S
O5     Rh1     2.018   .     S
O6     Rh1     2.020   .     S
H43    C2      1.095   2_655 S
