data_CoPH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   9.79
_cell_length_c   9.92
_cell_angle_alpha   109.31
_cell_angle_beta   101.97
_cell_angle_gamma   110.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPH3O5
_chemical_formula_sum   'Co6 P6 H18 O30'
_cell_volume   667.01
_cell_formula_units_Z   6
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
  Co  Co0  1  0.3  0.62  0.61  1.0
  Co  Co1  1  0.61  0.36  0.9  1.0
  Co  Co2  1  0.62  0.53  0.68  1.0
  Co  Co3  1  0.37  0.58  0.19  1.0
  Co  Co4  1  0.29  0.15  0.33  1.0
  Co  Co5  1  0.93  0.67  0.49  1.0
  P  P6  1  0.27  0.92  0.41  1.0
  P  P7  1  0.74  0.38  0.31  1.0
  P  P8  1  0.08  0.84  0.24  1.0
  P  P9  1  0.09  0.32  0.1  1.0
  P  P10  1  0.92  0.29  0.8  1.0
  P  P11  1  0.83  0.46  0.7  1.0
  H  H12  1  0.12  0.93  0.52  1.0
  H  H13  1  0.76  0.15  0.41  1.0
  H  H14  1  0.94  1.0  0.54  1.0
  H  H15  1  0.79  0.11  0.52  1.0
  H  H16  1  0.25  0.64  0.39  1.0
  H  H17  1  0.54  0.16  0.95  1.0
  H  H18  1  0.16  0.38  0.45  1.0
  H  H19  1  0.75  0.21  0.6  1.0
  H  H20  1  0.44  0.22  0.88  1.0
  H  H21  1  0.47  0.47  0.85  1.0
  H  H22  1  0.49  0.64  0.28  1.0
  H  H23  1  0.89  0.98  0.16  1.0
  H  H24  1  0.54  0.41  0.32  1.0
  H  H25  1  0.26  0.3  0.09  1.0
  H  H26  1  0.48  0.38  0.76  1.0
  H  H27  1  0.57  0.22  0.06  1.0
  H  H28  1  0.56  0.98  0.65  1.0
  H  H29  1  0.67  0.74  0.97  1.0
  O  O30  1  0.65  0.94  0.46  1.0
  O  O31  1  0.95  0.59  0.5  1.0
  O  O32  1  0.48  0.55  0.79  1.0
  O  O33  1  0.61  0.17  0.09  1.0
  O  O34  1  0.39  0.15  0.28  1.0
  O  O35  1  0.47  0.71  0.55  1.0
  O  O36  1  0.58  0.01  0.31  1.0
  O  O37  1  0.52  0.4  0.47  1.0
  O  O38  1  0.78  0.32  0.62  1.0
  O  O39  1  0.94  0.11  0.39  1.0
  O  O40  1  0.88  0.88  0.35  1.0
  O  O41  1  0.93  0.25  0.01  1.0
  O  O42  1  0.18  0.88  0.21  1.0
  O  O43  1  0.23  0.74  0.82  1.0
  O  O44  1  0.22  0.22  0.59  1.0
  O  O45  1  0.83  0.32  0.21  1.0
  O  O46  1  0.32  0.76  0.84  1.0
  O  O47  1  0.04  0.98  0.11  1.0
  O  O48  1  0.35  0.33  0.56  1.0
  O  O49  1  0.17  0.92  0.55  1.0
  O  O50  1  0.81  0.8  0.11  1.0
  O  O51  1  0.58  0.98  0.72  1.0
  O  O52  1  0.72  0.13  0.77  1.0
  O  O53  1  0.98  0.33  0.84  1.0
  O  O54  1  0.22  0.56  0.76  1.0
  O  O55  1  0.29  0.66  0.85  1.0
  O  O56  1  0.52  0.22  0.67  1.0
  O  O57  1  0.9  0.01  0.67  1.0
  O  O58  1  0.6  0.55  0.33  1.0
  O  O59  1  0.43  0.45  0.13  1.0

data_CoPH3O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.35
_cell_length_b   9.79
_cell_length_c   9.92
_cell_angle_alpha   109.31
_cell_angle_beta   101.97
_cell_angle_gamma   110.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPH3O5
_chemical_formula_sum   'Co6 P6 H18 O30'
_cell_volume   667.01
_cell_formula_units_Z   6
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
  Co  Co0  1  0.29  0.15  0.33  1.0
  Co  Co1  1  0.3  0.62  0.61  1.0
  Co  Co2  1  0.37  0.58  0.19  1.0
  Co  Co3  1  0.61  0.36  0.9  1.0
  Co  Co4  1  0.62  0.53  0.68  1.0
  Co  Co5  1  0.93  0.67  0.49  1.0
  P  P6  1  0.08  0.84  0.24  1.0
  P  P7  1  0.09  0.32  0.1  1.0
  P  P8  1  0.27  0.92  0.41  1.0
  P  P9  1  0.74  0.38  0.31  1.0
  P  P10  1  0.83  0.46  0.7  1.0
  P  P11  1  0.92  0.29  0.8  1.0
  H  H12  1  0.12  0.93  0.52  1.0
  H  H13  1  0.16  0.38  0.45  1.0
  H  H14  1  0.25  0.64  0.39  1.0
  H  H15  1  0.26  0.3  0.09  1.0
  H  H16  1  0.44  0.22  0.88  1.0
  H  H17  1  0.47  0.47  0.85  1.0
  H  H18  1  0.48  0.38  0.76  1.0
  H  H19  1  0.49  0.64  0.28  1.0
  H  H20  1  0.54  0.16  0.95  1.0
  H  H21  1  0.54  0.41  0.32  1.0
  H  H22  1  0.56  0.98  0.65  1.0
  H  H23  1  0.57  0.22  0.06  1.0
  H  H24  1  0.67  0.74  0.97  1.0
  H  H25  1  0.75  0.21  0.6  1.0
  H  H26  1  0.76  0.15  0.41  1.0
  H  H27  1  0.79  0.11  0.52  1.0
  H  H28  1  0.89  0.98  0.16  1.0
  H  H29  1  0.94  1.0  0.54  1.0
  O  O30  1  0.04  0.98  0.11  1.0
  O  O31  1  0.17  0.92  0.55  1.0
  O  O32  1  0.18  0.88  0.21  1.0
  O  O33  1  0.22  0.22  0.59  1.0
  O  O34  1  0.22  0.56  0.76  1.0
  O  O35  1  0.23  0.74  0.82  1.0
  O  O36  1  0.29  0.66  0.85  1.0
  O  O37  1  0.32  0.76  0.84  1.0
  O  O38  1  0.35  0.33  0.56  1.0
  O  O39  1  0.39  0.15  0.28  1.0
  O  O40  1  0.43  0.45  0.13  1.0
  O  O41  1  0.47  0.71  0.55  1.0
  O  O42  1  0.48  0.55  0.79  1.0
  O  O43  1  0.52  0.4  0.47  1.0
  O  O44  1  0.52  0.22  0.67  1.0
  O  O45  1  0.58  0.98  0.72  1.0
  O  O46  1  0.58  0.01  0.31  1.0
  O  O47  1  0.6  0.55  0.33  1.0
  O  O48  1  0.61  0.17  0.09  1.0
  O  O49  1  0.65  0.94  0.46  1.0
  O  O50  1  0.72  0.13  0.77  1.0
  O  O51  1  0.78  0.32  0.62  1.0
  O  O52  1  0.81  0.8  0.11  1.0
  O  O53  1  0.83  0.32  0.21  1.0
  O  O54  1  0.88  0.88  0.35  1.0
  O  O55  1  0.9  0.01  0.67  1.0
  O  O56  1  0.93  0.25  0.01  1.0
  O  O57  1  0.94  0.11  0.39  1.0
  O  O58  1  0.95  0.59  0.5  1.0
  O  O59  1  0.98  0.33  0.84  1.0

Co Co Co Co Co Co P P P P P P H H H H H H H H H H H H H H H H H H O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Co Co Co Co Co Co P P P P P P H H H H H H H H H H H H H H H H H H O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 18 o o o 0 54 o o o 0 16 o o o 0 55 o o o 0 46 o o o 0 35 o o o 1 20 o o o 1 26 o o o 1 21 o o o 1 56 o o o 2 48 o o o 2 37 o o o 2 26 o o o 2 32 o o o 2 11 o o o 3 22 o o o 3 16 o o o 3 59 o o o 4 34 o o o 5 31 o o o 6 42 o o o 6 8 o o o 6 49 o o o 6 12 o o o 7 45 o o o 8 42 o o o 9 41 - o o 9 25 o o o 10 53 o o o 11 38 o o o 12 49 o o o 12 40 - o o 13 36 o o o 13 15 o o o 13 39 o o o 14 40 o o o 14 57 o + o 14 39 o + o 15 19 o o o 15 30 o - o 15 39 o o o 16 35 o o o 17 27 o o + 17 20 o o o 18 39 - o o 18 48 o o o 19 38 o o o 19 56 o o o 21 32 o o o 21 26 o o o 22 59 o o o 23 47 + o o 23 50 o o o 23 39 o + o 24 58 o o o 24 37 o o o 25 59 o o o 26 56 o o o 27 33 o o o 28 51 o o o 28 52 o + o 29 50 o o + 33 45 o o o 37 48 o o o 39 40 o - o 40 50 o o o 43 46 o o o 43 55 o o o 44 48 o o o 46 55 o o o 51 52 o + o 54 55 o o o 
(CoPO2)2(CoHO5)2(Co4PH7O9)2H2(P2HO2)2(HPO3)2(PO)2(H2O3)2(H2O2)3(H2O)2O2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 105582-62-5 molecule, one 1333-74-0 atom, one molecular hydrogen;dihydrate molecule, one phosphine oxide molecule, one water molecule, one water molecule, one water atom, one Co4PH7O9 cluster, one CoHO5 cluster, one CoPO2 cluster, one H2O3 cluster, and one P2HO2 cluster. In the Co4PH7O9 cluster, there are four inequivalent Co sites. In the first Co site, Co(2) is bonded in a 3-coordinate geometry to one H(15), one H(9), and one O(27) atom. The Co(2)-H(15) bond length is 1.65 Å. The Co(2)-H(9) bond length is 1.52 Å. The Co(2)-O(27) bond length is 2.03 Å. In the second Co site, Co(3) is bonded in a 5-coordinate geometry to one P(6), one H(15), one O(19), one O(3), and one O(8) atom. The Co(3)-P(6) bond length is 2.06 Å. The Co(3)-H(15) bond length is 1.98 Å. The Co(3)-O(19) bond length is 2.13 Å. The Co(3)-O(3) bond length is 1.76 Å. The Co(3)-O(8) bond length is 1.89 Å. In the third Co site, Co(4) is bonded in an L-shaped geometry to one H(11) and one O(30) atom. The Co(4)-H(11) bond length is 1.02 Å. The Co(4)-O(30) bond length is 1.48 Å. In the fourth Co site, Co(5) is bonded in a single-bond geometry to one O(19) and one O(5) atom. The Co(5)-O(19) bond length is 2.24 Å. The Co(5)-O(5) bond length is 1.03 Å. P(6) is bonded in a single-bond geometry to one Co(3) and one O(9) atom. The P(6)-O(9) bond length is 1.26 Å. There are seven inequivalent H sites. In the first H site, H(8) is bonded in a single-bond geometry to one O(9) atom. The H(8)-O(9) bond length is 0.95 Å. In the second H site, H(9) is bonded in a single-bond geometry to one Co(2) atom. In the third H site, H(10) is bonded in a distorted single-bond geometry to one H(15) and one O(3) atom. The H(10)-H(15) bond length is 1.06 Å. The H(10)-O(3) bond length is 1.11 Å. In the fourth H site, H(11) is bonded in a bent 120 degrees geometry to one Co(4) and one O(29) atom. The H(11)-O(29) bond length is 1.61 Å. In the fifth H site, H(13) is bonded in a 2-coordinate geometry to one O(29) and one O(8) atom. The H(13)-O(29) bond length is 1.17 Å. The H(13)-O(8) bond length is 1.59 Å. In the sixth H site, H(14) is bonded in a distorted single-bond geometry to one O(30) atom. The H(14)-O(30) bond length is 1.55 Å. In the seventh H site, H(15) is bonded in a 5-coordinate geometry to one Co(2), one Co(3), one H(10), one O(27), and one O(3) atom. The H(15)-O(27) bond length is 1.69 Å. The H(15)-O(3) bond length is 1.58 Å. There are nine inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to one Co(3), one H(10), and one H(15) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Co(5) atom. In the third O site, O(8) is bonded in a 2-coordinate geometry to one Co(3), one H(13), and one O(19) atom. The O(8)-O(19) bond length is 1.87 Å. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one P(6) and one H(8) atom. In the fifth O site, O(15) is bonded in a single-bond geometry to one O(19) atom. The O(15)-O(19) bond length is 1.45 Å. In the sixth O site, O(19) is bonded in a 4-coordinate geometry to one Co(3), one Co(5), one O(15), and one O(8) atom. In the seventh O site, O(27) is bonded in a 2-coordinate geometry to one Co(2) and one H(15) atom. In the eighth O site, O(29) is bonded in a distorted single-bond geometry to one H(11) and one H(13) atom. In the ninth O site, O(30) is bonded in a water-like geometry to one Co(4) and one H(14) atom. In the CoHO5 cluster, Co(1) is bonded in a 2-coordinate geometry to one H(7), one O(17), one O(25), and one O(6) atom. The Co(1)-H(7) bond length is 2.12 Å. The Co(1)-O(17) bond length is 2.16 Å. The Co(1)-O(25) bond length is 1.92 Å. The Co(1)-O(6) bond length is 1.73 Å. H(7) is bonded in a single-bond geometry to one Co(1) atom. There are five inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Co(1) atom. In the second O site, O(14) is bonded in a distorted single-bond geometry to one O(17) and one O(26) atom. The O(14)-O(17) bond length is 0.63 Å. The O(14)-O(26) bond length is 1.08 Å. In the third O site, O(17) is bonded in a 3-coordinate geometry to one Co(1), one O(14), and one O(26) atom. The O(17)-O(26) bond length is 0.98 Å. In the fourth O site, O(25) is bonded in a water-like geometry to one Co(1) and one O(26) atom. The O(25)-O(26) bond length is 0.93 Å. In the fifth O site, O(26) is bonded in a 3-coordinate geometry to one O(14), one O(17), and one O(25) atom. In the CoPO2 cluster, Co(6) is bonded in a single-bond geometry to one O(2) atom. The Co(6)-O(2) bond length is 0.87 Å. P(2) is bonded in a 2-coordinate geometry to one O(16) and one O(2) atom. The P(2)-O(16) bond length is 1.45 Å. The P(2)-O(2) bond length is 2.06 Å. There are two inequivalent O sites. In the first O site, O(16) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Co(6) and one P(2) atom. In the H2O3 cluster, there are two inequivalent H sites. In the first H site, H(2) is bonded in a 3-coordinate geometry to one H(4), one O(10), and one O(7) atom. The H(2)-H(4) bond length is 1.32 Å. The H(2)-O(10) bond length is 1.67 Å. The H(2)-O(7) bond length is 1.47 Å. In the second H site, H(4) is bonded in a distorted single-bond geometry to one H(2) and one O(1) atom. The H(4)-O(1) bond length is 1.50 Å. There are three inequivalent O sites. In the first O site, O(7) is bonded in a single-bond geometry to one H(2) atom. In the second O site, O(10) is bonded in a distorted single-bond geometry to one H(2) atom. In the third O site, O(1) is bonded in a single-bond geometry to one H(4) atom. In the P2HO2 cluster, there are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one O(13) and one O(20) atom. The P(1)-O(13) bond length is 1.90 Å. The P(1)-O(20) bond length is 1.72 Å. In the second P site, P(3) is bonded in a single-bond geometry to one O(13) atom. The P(3)-O(13) bond length is 0.95 Å. H(1) is bonded in a single-bond geometry to one O(20) atom. The H(1)-O(20) bond length is 0.51 Å. There are two inequivalent O sites. In the first O site, O(13) is bonded in a distorted single-bond geometry to one P(1) and one P(3) atom. In the second O site, O(20) is bonded in a single-bond geometry to one P(1) and one H(1) atom.