# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

data_Co2(OH)(fum)-forcite421
_audit_creation_date              2019-04-05
_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                    4.989
_cell_length_b                    6.836
_cell_length_c                    15.584
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.42
_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
Co1    Co    0.47777   0.79881   0.52760   0.00000  Uiso   1.00
Co2   Co    0.00000   0.00000   0.50000   0.00000  Uiso   0.50
Co3   Co    0.00000   0.00000   0.00000   0.00000  Uiso   0.50
O1     O     0.54902   0.86114   0.63877   0.00000  Uiso   1.00
O2     O     0.96889   0.90187   0.61121   0.00000  Uiso   1.00
O3     O     1.01223   0.74897   0.94702   0.00000  Uiso   1.00
O4     O     0.40772   0.76524   0.91510   0.00000  Uiso   1.00
O5     O     0.67650   0.94158   0.44807   0.00000  Uiso   1.00
O6     O     0.63507   0.56295   0.52830   0.00000  Uiso   1.00
O7     O     0.23235   0.61649   0.60153   0.00000  Uiso   1.00
C1     C     0.78481   0.87420   0.66582   0.00000  Uiso   1.00
C2    C     0.84715   0.81674   0.75728   0.00000  Uiso   1.00
C3    C     0.10311   0.82594   0.79782   0.00000  Uiso   1.00
C4    C     0.17256   0.76466   0.88865   0.00000  Uiso   1.00
H2    H     0.31430   0.24697   0.70824   0.00000  Uiso   1.00
H3    H     0.73340   0.38733   0.73895   0.00000  Uiso   1.00
H4    H     0.69790   0.01744   0.87303   0.00000  Uiso   1.00
H5    H     0.71840   0.92353   0.11320   0.00000  Uiso   1.00
H6    H     0.32004   0.40178   0.11044   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
Co1    O8      2.098   .     S
Co1    O2      1.821   .     S
Co1    O7      1.793   .     S
Co1    O5      1.842   4_564 S
Co1    O6      1.972   3_677 S
Co1    O6      1.869   1_554 S
O2     C9      1.248   .     A
O3     C9      1.271   .     A
O3     Co18    1.870   1_665 S
O4     C12     1.221   1_655 A
O4     Co18    1.894   2_656 S
O4     Co19    1.907   1_665 S
O5     C12     1.239   .     A
O5     Co1     1.842   4_565 S
O6     H17     0.954   2_657 S
O6     Co18    1.842   1_666 S
O6     Co1     1.972   3_677 S
O6     Co1     1.869   1_556 S
O7     H16     1.390   4_564 S
O7     Co19    1.922   2_656 S
O8     Co19    2.112   2_556 S
O8     H15     0.857   2_656 S
C9     C10     1.512   .     S
C10    C11     1.420   1_655 A
C10    H13     1.082   2_656 S
C11    C12     1.517   .     S
C11    H14     1.084   2_656 S
C11    C10     1.420   1_455 A
C12    O4      1.221   1_455 A
H13    C10     1.082   2_646 S
H14    C11     1.084   2_646 S
H15    O8      0.857   2_646 S
H16    O7      1.390   4_565 S
H17    O6      0.954   2_647 S
Co18   O4      1.894   2_646 S
Co18   O4      1.894   4_454 S
Co18   O6      1.842   3_667 S
Co18   O6      1.842   1_444 S
Co18   O3      1.870   1_445 S
Co18   O3      1.870   3_666 S
Co19   O7      1.922   2_646 S
Co19   O7      1.922   4_455 S
Co19   O4      1.907   3_667 S
Co19   O4      1.907   1_445 S
Co19   O8      2.112   2_546 S
Co19   O8      2.112   4     S
