The compound described by KCd6C12H4O26Cl crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted q4 geometry to one H(1), one H(2), one H(3), one H(4), one O(18), one O(2), one O(24), one O(25), one O(3), and one O(9) atom. There are six inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one O(13), one O(2), one O(4), one O(5), and one O(6) atom. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(14), one O(26), one O(3), one O(5), and one O(7) atom. In the third Cd site, Cd(3) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(26), one O(6), and one O(9) atom. In the fourth Cd site, Cd(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(17), one O(18), one O(21), one O(8), and one Cl(1) atom. In the fifth Cd site, Cd(5) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(17), one O(20), one O(22), and one O(24) atom. In the sixth Cd site, Cd(6) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(19), one O(21), one O(22), one O(23), and one O(25) atom. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(25) and one O(5) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one O(18) and one O(6) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(15) atom. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one O(10) and one O(24) atom. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(23) and one O(8) atom. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one O(13) and one O(7) atom. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(20) atom. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(19) and one O(4) atom. In the ninth C site, C(9) is bonded in a bent 120 degrees geometry to one O(17) and one O(3) atom. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(16) atom. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one O(21) and one O(9) atom. In the twelfth C site, C(12) is bonded in a bent 120 degrees geometry to one O(2) and one O(22) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one K(1) and one H(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one K(1) and one H(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one K(1) and one H(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one K(1) and one H(3) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cd(5), one Cd(6), and one Cl(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(12) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Cd(2), and one C(9) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cd(2) and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cd(4) and one C(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(1), one Cd(3), and one C(11) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(3), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(4), and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cd(4) and one C(10) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Cd(1), one Cd(5), and one C(6) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(6), and one C(7) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cd(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cd(3), one Cd(5), and one C(10) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Cd(4), one Cd(5), and one C(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one K(1), one Cd(4), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Cd(3), one Cd(6), and one C(8) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cd(5) and one C(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Cd(4), one Cd(6), and one C(11) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Cd(5), one Cd(6), and one C(12) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Cd(6) and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one K(1), one Cd(5), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one K(1), one Cd(6), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Cd(2), one Cd(3), and one Cl(1) atom. Cl(1) is bonded in a distorted water-like geometry to one Cd(4), one O(1), and one O(26) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCd6H4C12ClO26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.361
_cell_length_b   9.414
_cell_length_c   10.381
_cell_angle_alpha   63.419
_cell_angle_beta   63.751
_cell_angle_gamma   60.680
_symmetry_Int_Tables_number   1
_cell_volume   683.463
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.994  0.002  0.000  1.0
  Cd  Cd1  1  0.276  0.787  0.271  1.0
  Cd  Cd2  1  0.801  0.631  0.270  1.0
  Cd  Cd3  1  0.642  0.293  0.275  1.0
  Cd  Cd4  1  0.349  0.717  0.731  1.0
  Cd  Cd5  1  0.213  0.346  0.721  1.0
  Cd  Cd6  1  0.697  0.208  0.728  1.0
  H  H7  1  0.859  0.933  0.302  1.0
  H  H8  1  0.945  0.865  0.299  1.0
  H  H9  1  0.142  0.105  0.702  1.0
  H  H10  1  0.062  0.109  0.699  1.0
  C  C11  1  0.573  0.950  0.046  1.0
  C  C12  1  0.425  0.573  0.041  1.0
  C  C13  1  0.559  0.956  0.435  1.0
  C  C14  1  0.977  0.424  0.026  1.0
  C  C15  1  0.037  0.955  0.570  1.0
  C  C16  1  0.050  0.556  0.432  1.0
  C  C17  1  0.943  0.448  0.563  1.0
  C  C18  1  0.956  0.053  0.437  1.0
  C  C19  1  0.046  0.573  0.953  1.0
  C  C20  1  0.445  0.044  0.562  1.0
  C  C21  1  0.564  0.430  0.964  1.0
  C  C22  1  0.428  0.023  0.971  1.0
  Cl  Cl23  1  0.455  0.564  0.498  1.0
  O  O24  1  0.456  0.402  0.638  1.0
  O  O25  1  0.305  0.971  0.039  1.0
  O  O26  1  0.987  0.679  0.023  1.0
  O  O27  1  0.052  0.037  0.309  1.0
  O  O28  1  0.559  0.835  0.173  1.0
  O  O29  1  0.431  0.555  0.168  1.0
  O  O30  1  0.036  0.610  0.302  1.0
  O  O31  1  0.195  0.862  0.539  1.0
  O  O32  1  0.673  0.310  0.030  1.0
  O  O33  1  0.866  0.420  0.153  1.0
  O  O34  1  0.589  0.798  0.471  1.0
  O  O35  1  0.390  0.954  0.693  1.0
  O  O36  1  0.144  0.587  0.467  1.0
  O  O37  1  0.846  0.418  0.530  1.0
  O  O38  1  0.616  0.047  0.306  1.0
  O  O39  1  0.410  0.203  0.525  1.0
  O  O40  1  0.161  0.573  0.826  1.0
  O  O41  1  0.317  0.694  0.975  1.0
  O  O42  1  0.797  0.144  0.468  1.0
  O  O43  1  0.959  0.398  0.692  1.0
  O  O44  1  0.557  0.446  0.838  1.0
  O  O45  1  0.445  0.132  0.842  1.0
  O  O46  1  0.944  0.974  0.698  1.0
  O  O47  1  0.034  0.317  0.957  1.0
  O  O48  1  0.692  0.008  0.977  1.0
  O  O49  1  0.603  0.507  0.361  1.0
[/CIF]
.
The compound described by KCd6C12H4O26Cl crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted q4 geometry to one H(1), one H(2), one H(3), one H(4), one O(18), one O(2), one O(24), one O(25), one O(3), and one O(9) atom. There are six inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one O(13), one O(2), one O(4), one O(5), and one O(6) atom. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(14), one O(26), one O(3), one O(5), and one O(7) atom. In the third Cd site, Cd(3) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(26), one O(6), and one O(9) atom. In the fourth Cd site, Cd(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(17), one O(18), one O(21), one O(8), and one Cl(1) atom. In the fifth Cd site, Cd(5) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(17), one O(20), one O(22), and one O(24) atom. In the sixth Cd site, Cd(6) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(19), one O(21), one O(22), one O(23), and one O(25) atom. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(25) and one O(5) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one O(18) and one O(6) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(15) atom. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one O(10) and one O(24) atom. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(23) and one O(8) atom. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one O(13) and one O(7) atom. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(20) atom. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(19) and one O(4) atom. In the ninth C site, C(9) is bonded in a bent 120 degrees geometry to one O(17) and one O(3) atom. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(16) atom. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one O(21) and one O(9) atom. In the twelfth C site, C(12) is bonded in a bent 120 degrees geometry to one O(2) and one O(22) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one K(1) and one H(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one K(1) and one H(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one K(1) and one H(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one K(1) and one H(3) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cd(5), one Cd(6), and one Cl(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cd(1), and one C(12) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Cd(2), and one C(9) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cd(2) and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cd(4) and one C(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(1), one Cd(3), and one C(11) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(3), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(4), and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cd(4) and one C(10) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Cd(1), one Cd(5), and one C(6) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(6), and one C(7) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cd(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cd(3), one Cd(5), and one C(10) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Cd(4), one Cd(5), and one C(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one K(1), one Cd(4), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Cd(3), one Cd(6), and one C(8) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cd(5) and one C(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Cd(4), one Cd(6), and one C(11) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Cd(5), one Cd(6), and one C(12) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Cd(6) and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one K(1), one Cd(5), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one K(1), one Cd(6), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Cd(2), one Cd(3), and one Cl(1) atom. Cl(1) is bonded in a distorted water-like geometry to one Cd(4), one O(1), and one O(26) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCd6H4C12ClO26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.361
_cell_length_b   9.414
_cell_length_c   10.381
_cell_angle_alpha   63.419
_cell_angle_beta   63.751
_cell_angle_gamma   60.680
_symmetry_Int_Tables_number   1
_cell_volume   683.463
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.994  0.002  0.000  1.0
  Cd  Cd1  1  0.276  0.787  0.271  1.0
  Cd  Cd2  1  0.801  0.631  0.270  1.0
  Cd  Cd3  1  0.642  0.293  0.275  1.0
  Cd  Cd4  1  0.349  0.717  0.731  1.0
  Cd  Cd5  1  0.213  0.346  0.721  1.0
  Cd  Cd6  1  0.697  0.208  0.728  1.0
  H  H7  1  0.859  0.933  0.302  1.0
  H  H8  1  0.945  0.865  0.299  1.0
  H  H9  1  0.142  0.105  0.702  1.0
  H  H10  1  0.062  0.109  0.699  1.0
  C  C11  1  0.573  0.950  0.046  1.0
  C  C12  1  0.425  0.573  0.041  1.0
  C  C13  1  0.559  0.956  0.435  1.0
  C  C14  1  0.977  0.424  0.026  1.0
  C  C15  1  0.037  0.955  0.570  1.0
  C  C16  1  0.050  0.556  0.432  1.0
  C  C17  1  0.943  0.448  0.563  1.0
  C  C18  1  0.956  0.053  0.437  1.0
  C  C19  1  0.046  0.573  0.953  1.0
  C  C20  1  0.445  0.044  0.562  1.0
  C  C21  1  0.564  0.430  0.964  1.0
  C  C22  1  0.428  0.023  0.971  1.0
  Cl  Cl23  1  0.455  0.564  0.498  1.0
  O  O24  1  0.456  0.402  0.638  1.0
  O  O25  1  0.305  0.971  0.039  1.0
  O  O26  1  0.987  0.679  0.023  1.0
  O  O27  1  0.052  0.037  0.309  1.0
  O  O28  1  0.559  0.835  0.173  1.0
  O  O29  1  0.431  0.555  0.168  1.0
  O  O30  1  0.036  0.610  0.302  1.0
  O  O31  1  0.195  0.862  0.539  1.0
  O  O32  1  0.673  0.310  0.030  1.0
  O  O33  1  0.866  0.420  0.153  1.0
  O  O34  1  0.589  0.798  0.471  1.0
  O  O35  1  0.390  0.954  0.693  1.0
  O  O36  1  0.144  0.587  0.467  1.0
  O  O37  1  0.846  0.418  0.530  1.0
  O  O38  1  0.616  0.047  0.306  1.0
  O  O39  1  0.410  0.203  0.525  1.0
  O  O40  1  0.161  0.573  0.826  1.0
  O  O41  1  0.317  0.694  0.975  1.0
  O  O42  1  0.797  0.144  0.468  1.0
  O  O43  1  0.959  0.398  0.692  1.0
  O  O44  1  0.557  0.446  0.838  1.0
  O  O45  1  0.445  0.132  0.842  1.0
  O  O46  1  0.944  0.974  0.698  1.0
  O  O47  1  0.034  0.317  0.957  1.0
  O  O48  1  0.692  0.008  0.977  1.0
  O  O49  1  0.603  0.507  0.361  1.0
[/CIF]
.