data_COXGUR
_audit_creation_date              2022-06-27
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P21/N'
_symmetry_Int_Tables_number       14
_symmetry_cell_setting            monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,y+1/2,-z+1/2
  -x,-y,-z
  x+1/2,-y+1/2,z+1/2
_cell_length_a                    7.7650
_cell_length_b                    10.7410
_cell_length_c                    15.2670
_cell_angle_alpha                 90.0000
_cell_angle_beta                  98.7500
_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
Rh1    Rh    0.13803   0.22726   0.11729   0.00000  Uiso   1.00
O1     O    -0.13842   0.38538   0.00981   0.00000  Uiso   1.00
O2     O    -0.10498   0.19382   0.25209   0.00000  Uiso   1.00
C1     C     0.43412   0.26616   0.13933   0.00000  Uiso   1.00
C2     C     0.37127   0.24864   0.04631   0.00000  Uiso   1.00
C3     C     0.31162   0.12033   0.03204   0.00000  Uiso   1.00
C4     C     0.32788   0.06155   0.11634   0.00000  Uiso   1.00
C5     C     0.40025   0.15260   0.18339   0.00000  Uiso   1.00
C6     C     0.52528   0.37991   0.18014   0.00000  Uiso   1.00
C7     C     0.39097   0.34048  -0.02539   0.00000  Uiso   1.00
C8     C     0.25564   0.05920  -0.05593   0.00000  Uiso   1.00
C9     C     0.29357  -0.07306   0.13288   0.00000  Uiso   1.00
C10    C     0.45460   0.12380   0.27980   0.00000  Uiso   1.00
C11    C    -0.03012   0.32518   0.05098   0.00000  Uiso   1.00
C12    C    -0.00976   0.20543   0.20048   0.00000  Uiso   1.00
H1     H     0.66428   0.37917   0.17275   0.00000  Uiso   1.00
H2     H     0.51908   0.38618   0.25134   0.00000  Uiso   1.00
H3     H     0.46892   0.46581   0.14902   0.00000  Uiso   1.00
H4     H     0.52343   0.33484  -0.04276   0.00000  Uiso   1.00
H5     H     0.37036   0.43632  -0.00463   0.00000  Uiso   1.00
H6     H     0.29938   0.32256  -0.08610   0.00000  Uiso   1.00
H7     H     0.21310   0.12772  -0.10809   0.00000  Uiso   1.00
H8     H     0.14875  -0.00740  -0.05415   0.00000  Uiso   1.00
H9     H     0.36435   0.00654  -0.07677   0.00000  Uiso   1.00
H10    H     0.18535  -0.10955   0.08501   0.00000  Uiso   1.00
H11    H     0.26413  -0.08931   0.20003   0.00000  Uiso   1.00
H12    H     0.40927  -0.12988   0.12644   0.00000  Uiso   1.00
H13    H     0.45105   0.20662   0.32161   0.00000  Uiso   1.00
H14    H     0.58933   0.08826   0.29069   0.00000  Uiso   1.00
H15    H     0.37230   0.05227   0.30389   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
Rh1    C2      2.259   .     S
Rh1    C4      2.313   .     S
Rh1    C5      2.276   .     S
Rh1    C11     1.853   .     S
Rh1    C12     1.852   .     S
O1     C11     1.166   .     S
O2     C12     1.166   .     S
C1     C2      1.442   .     S
C1     C5      1.436   .     S
C1     C6      1.499   .     S
C2     C3      1.460   .     S
C2     C7      1.499   .     S
C3     C4      1.422   .     S
C3     C8      1.499   .     S
C4     C5      1.465   .     S
C4     C9      1.499   .     S
C5     C10     1.500   .     S
C6     H1      1.102   .     S
C6     H2      1.098   .     S
C6     H3      1.098   .     S
C7     H4      1.102   .     S
C7     H5      1.096   .     S
C7     H6      1.096   .     S
C8     H7      1.098   .     S
C8     H8      1.099   .     S
C8     H9      1.102   .     S
C9     H10     1.099   .     S
C9     H11     1.098   .     S
C9     H12     1.103   .     S
C10    H13     1.098   .     S
C10    H14     1.102   .     S
C10    H15     1.098   .     S
