data_2100300
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  669
_journal_page_last  674
_chemical_formula_sum  "C6 Cd3 O12 P2"
_chemical_formula_weight  663.23
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  "P 21"
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 +x,+y,+z
  2 -x,+y+1/2,-z
_cell_length_a  8.7743(3)
_cell_length_b  9.4828(3)
_cell_length_c  9.1670(3)
_cell_angle_alpha  90.0
_cell_angle_beta  113.609(2)
_cell_angle_gamma  90.0
_cell_volume  698.89(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  CD1 0.5120(9) 0.192(3)  0.7580(8) 0.0267(5) Uiso 1.0 Cd
  CD2 0.5892(6) 0.0719(6) 0.3573(6) 0.0267(5) Uiso 1.0 Cd
  CD3 0.3921(6) 0.3397(7) 0.1163(6) 0.0267(5) Uiso 1.0 Cd
  P1 0.652(2)  0.4047(14) 0.517(2)  0.027(4) Uiso 1.0 P
  P2 0.603(2)  0.4950(14) 0.011(3)  0.027(4) Uiso 1.0 P
  O1 0.462(4) 0.8717(18) 0.398(4) 0.036(3)  Uiso 1.0 O
  O2 0.611(4) 0.4997(17) 0.180(4) 0.036(3)  Uiso 1.0 O
  O3 0.601(4) 0.3140(17) 0.368(5) 0.036(3)  Uiso 1.0 O
  O4 0.485(4) 0.1234(17) 0.083(4) 0.036(3)  Uiso 1.0 O
  O5 0.269(5) 0.5360(18) 0.170(5) 0.036(3)  Uiso 1.0 O
  O6 0.111(4) 0.3570(17) 0.049(4) 0.036(3)  Uiso 1.0 O
  O7 0.632(4) 0.5606(18) 0.465(4) 0.036(3)  Uiso 1.0 O
  O8 0.763(4) 0.1306(17) 0.233(4) 0.036(3)  Uiso 1.0 O
  O9 0.695(5) 0.8568(17) 0.325(4) 0.036(3)  Uiso 1.0 O
  C1 0.132(7) 0.8789(19) 0.361(6) 0.043(10) Uiso 1.0 C
  C2 0.811(7) 0.4849(18) 0.020(6) 0.043(10) Uiso 1.0 C
  C3 -0.006(6) 0.9902(19) 0.276(7) 0.043(10) Uiso 1.0 C
  C4 0.986(6) 0.5558(19) 0.088(6) 0.043(10) Uiso 1.0 C
  C5 0.130(6) 0.4987(19) 0.050(7) 0.043(10) Uiso 1.0 C
  C6 0.917(6) 0.1378(19) 0.225(7) 0.043(10) Uiso 1.0 C
  O10 0.492(4) 0.8625(17) 0.068(4) 0.036(3)  Uiso 1.0 O
  O11 0.167(4) 0.5696(17) 0.417(4) 0.036(3)  Uiso 1.0 O
  O12 0.010(4) 0.2249(18) 0.346(4) 0.036(3)  Uiso 1.0 O
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  CD1 CD3 . 2_646 3.53(3)  N
  CD1 O1 . 2_646 2.30(4) N
  CD1 O2 . 2_646 2.30(4) N
  CD1 O5 . 2_646 2.31(4) N
  CD1 O7 . 2_646 2.29(3)  N
  CD1 O9 . 2_646 2.28(4) N
  CD1 O10 . 2_646 2.28(4) N
  CD2 CD3 . 1_555 3.356(6) N
  CD2 P1 . 2_646 3.20(2)  N
  CD2 P2 . 2_645 3.20(2)  N
  CD2 O1 . 1_545 2.31(3)  N
  CD2 O3 . 1_555 2.298(18) N
  CD2 O4 . 1_555 2.36(3)  N
  CD2 O8 . 1_555 2.31(4) N
  CD2 O9 . 1_545 2.31(2)  N
  CD2 O11 . 2_646 2.31(3)  N
  CD3 CD1 . 2_656 3.53(3)  N
  CD3 CD2 . 1_555 3.356(6) N
  CD3 P2 . 1_555 2.82(2)  N
  CD3 O2 . 1_555 2.33(3)  N
  CD3 O3 . 1_555 2.31(4)  N
  CD3 O4 . 1_555 2.27(2)  N
  CD3 O5 . 1_555 2.31(3)  N
  CD3 O6 . 1_555 2.30(3)  N
  CD3 C5 . 1_555 2.61(4) N
  CD3 O10 . 2_645 2.31(4) N
  P1 CD2 . 2_656 3.20(2)  N
  P1 O1 . 2_646 1.52(4) N
  P1 O3 . 1_555 1.52(4) N
  P1 O7 . 1_555 1.54(2)  N
  P1 C1 . 2_646 1.79(5) N
  P2 CD2 . 2_655 3.20(2)  N
  P2 CD3 . 1_555 2.82(2)  N
  P2 O2 . 1_555 1.52(4) N
  P2 O4 . 2_655 1.52(3)  N
  P2 C2 . 1_555 1.80(6) N
  P2 O10 . 2_645 1.52(3)  N
  O1 CD1 . 2_656 2.30(4) N
  O1 CD2 . 1_565 2.31(3)  N
  O1 P1 . 2_656 1.52(4) N
  O2 CD1 . 2_656 2.30(4) N
  O2 CD3 . 1_555 2.33(3)  N
  O2 P2 . 1_555 1.52(4) N
  O3 CD2 . 1_555 2.298(18) N
  O3 CD3 . 1_555 2.31(4)  N
  O3 P1 . 1_555 1.52(4) N
  O4 CD2 . 1_555 2.36(3)  N
  O4 CD3 . 1_555 2.27(2)  N
  O4 P2 . 2_645 1.52(3)  N
  O5 CD1 . 2_656 2.31(4) N
  O5 CD3 . 1_555 2.31(3)  N
  O5 C5 . 1_555 1.32(6) N
  O6 CD3 . 1_555 2.30(3)  N
  O6 C5 . 1_555 1.35(3)  N
  O7 CD1 . 2_656 2.29(3)  N
  O7 P1 . 1_555 1.54(2)  N
  O8 CD2 . 1_555 2.31(4) N
  O8 C6 . 1_555 1.38(6) N
  O9 CD1 . 2_656 2.28(4) N
  O9 CD2 . 1_565 2.31(2)  N
  C1 P1 . 2_656 1.79(5) N
  C1 C3 . 1_555 1.56(5) N
  C2 P2 . 1_555 1.80(6) N
  C2 C4 . 1_555 1.56(6) N
  C3 C1 . 1_555 1.56(5) N
  C3 C6 . 1_465 1.54(4) N
  C4 C2 . 1_555 1.56(6) N
  C4 C5 . 1_655 1.54(7) N
  C5 CD3 . 1_555 2.61(4) N
  C5 O5 . 1_555 1.32(6) N
  C5 O6 . 1_555 1.35(3)  N
  C5 C4 . 1_455 1.54(7) N
  C6 O8 . 1_555 1.38(6) N
  C6 C3 . 1_645 1.54(4) N
  C6 O12 . 1_655 1.36(4) N
  O10 CD1 . 2_656 2.28(4) N
  O10 CD3 . 2_655 2.31(4) N
  O10 P2 . 2_655 1.52(3)  N
  O11 CD2 . 2_656 2.31(3)  N
  O12 C6 . 1_455 1.36(4) N