data_2008726
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1075
_journal_page_last  1079
_publ_section_title
;
Three anionic polymeric networks: sodium(I)--ruthenium(III),
sodium(I)--rhodium(III) and sodium(I)--aluminum(III) \m-oxalato complexes
with tris(2,2'-bipyridine)ruthenium(II) cations
;
loop_
_publ_author_name
  'Pellaux, Rene'
  'Decurtins, Silvio'
  'Schmalle, Helmut W.'
_chemical_formula_moiety  'Al C6 O12 Na, C30 H24 N6 Ru'
_chemical_formula_sum  'C36 H24 Al N6 Na O12 Ru'
_chemical_formula_iupac  '[Ru (C10 H8 N2)3] [Na Al (C2 O4)3]'
_chemical_formula_weight  883.65
_symmetry_cell_setting  Cubic
_symmetry_space_group_name_H-M  'P 21 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
  'z, x, y'
  'z+1/2, -x+1/2, -y'
  '-z+1/2, -x, y+1/2'
  '-z, x+1/2, -y+1/2'
  'y, z, x'
  '-y, z+1/2, -x+1/2'
  'y+1/2, -z+1/2, -x'
  '-y+1/2, -z, x+1/2'
_cell_length_a  15.407(4)
_cell_length_b  15.407(4)
_cell_length_c  15.407(4)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  3657.2(16)
_cell_formula_units_Z  4
_cell_measurement_temperature  296(2)
_exptl_crystal_density_diffrn  1.605
_exptl_crystal_density_meas  1.60
_diffrn_ambient_temperature  296(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ru 0.12654(2) 0.12654(2) 0.12654(2) 0.02035(12) Uani d S 1 . . Ru
  N1 0.1256(3) 0.2594(2) 0.1147(2) 0.0256(7) Uani d . 1 . . N
  C2 0.1272(3) 0.2902(3) 0.0326(3) 0.0295(9) Uani d . 1 . . C
  C3 0.1303(3) 0.3795(3) 0.0163(3) 0.0407(11) Uani d . 1 . . C
  H3 0.1305 0.4004 -0.0403 0.049 Uiso calc R 1 . . H
  C4 0.1329(4) 0.4358(3) 0.0855(4) 0.0535(15) Uani d . 1 . . C
  H4 0.1352 0.4953 0.0758 0.064 Uiso calc R 1 . . H
  C5 0.1321(5) 0.4045(3) 0.1687(4) 0.0481(14) Uani d . 1 . . C
  H5 0.1350 0.4422 0.2157 0.058 Uiso calc R 1 . . H
  C6 0.1270(4) 0.3162(3) 0.1814(3) 0.0376(11) Uani d . 1 . . C
  H6 0.1244 0.2949 0.2379 0.045 Uiso calc R 1 . . H
  N1A 0.1257(3) 0.1407(2) -0.0058(2) 0.0267(7) Uani d . 1 . . N
  C2A 0.1260(3) 0.2233(3) -0.0353(3) 0.0295(9) Uani d . 1 . . C
  C3A 0.1243(3) 0.2418(3) -0.1238(3) 0.0426(11) Uani d . 1 . . C
  H3A 0.1257 0.2990 -0.1431 0.051 Uiso calc R 1 . . H
  C4A 0.1205(4) 0.1745(4) -0.1819(3) 0.0530(15) Uani d . 1 . . C
  H4A 0.1192 0.1855 -0.2413 0.064 Uiso calc R 1 . . H
  C5A 0.1187(5) 0.0924(4) -0.1519(3) 0.0537(15) Uani d . 1 . . C
  H5A 0.1156 0.0464 -0.1909 0.064 Uiso calc R 1 . . H
  C6A 0.1214(4) 0.0762(3) -0.0641(3) 0.0409(12) Uani d . 1 . . C
  H6A 0.1203 0.0190 -0.0448 0.049 Uiso calc R 1 . . H
  Na 0.15498(13) 0.65498(13) -0.15498(13) 0.0369(9) Uani d S 1 . . Na
  Al 0.39669(9) 0.60331(9) 0.10331(9) 0.0297(6) Uani d S 1 . . Al
  O11 0.27436(19) 0.6147(2) 0.09373(18) 0.0324(8) Uani d . 1 . . O
  O21 0.39566(18) 0.6081(2) -0.0187(2) 0.0352(8) Uani d . 1 . . O
  C11 0.2470(3) 0.6257(3) 0.0162(3) 0.0286(9) Uani d . 1 . . C
  C21 0.3221(3) 0.6254(3) -0.0518(3) 0.0323(9) Uani d . 1 . . C
  O12 0.17226(19) 0.6362(3) -0.0048(2) 0.0389(8) Uani d . 1 . . O
  O22 0.30673(19) 0.6384(3) -0.1282(2) 0.0472(9) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ru 0.02035(12) 0.02035(12) 0.02035(12) -0.00075(14) -0.00075(14)
  -0.00075(14)
  N1 0.0250(16) 0.0217(15) 0.030(2) -0.0007(18) -0.001(2) -0.0014(14)
  C2 0.0219(19) 0.032(2) 0.035(2) 0.001(2) -0.001(2) 0.0047(19)
  C3 0.037(2) 0.032(2) 0.053(3) 0.005(3) 0.003(3) 0.017(2)
  C4 0.050(3) 0.023(2) 0.087(4) -0.001(3) 0.001(4) 0.005(3)
  C5 0.063(4) 0.028(3) 0.054(3) 0.003(3) -0.001(4) -0.010(2)
  C6 0.049(3) 0.028(2) 0.036(3) 0.002(3) 0.001(3) -0.0058(19)
  N1A 0.0254(16) 0.0303(19) 0.0244(16) -0.004(2) -0.0007(17) -0.0030(14)
  C2A 0.0223(19) 0.038(2) 0.028(2) 0.000(2) -0.002(2) 0.0085(18)
  C3A 0.035(2) 0.062(3) 0.030(2) 0.005(3) 0.002(3) 0.019(3)
  C4A 0.051(3) 0.090(5) 0.018(2) 0.008(4) -0.001(3) 0.012(3)
  C5A 0.063(4) 0.071(4) 0.027(3) 0.003(4) -0.004(3) -0.015(3)
  C6A 0.053(3) 0.041(3) 0.028(2) -0.007(3) 0.003(3) -0.004(2)
  Na 0.0369(9) 0.0369(9) 0.0369(9) 0.0028(9) -0.0028(9) -0.0028(9)
  Al 0.0297(6) 0.0297(6) 0.0297(6) 0.0018(5) 0.0018(5) -0.0018(5)
  O11 0.0299(16) 0.041(2) 0.0265(16) -0.0029(16) 0.0059(12) -0.0006(15)
  O21 0.0258(16) 0.044(2) 0.0363(17) 0.0027(14) 0.0058(13) 0.0006(15)
  C11 0.030(2) 0.0248(19) 0.031(2) -0.002(2) 0.0047(17) -0.004(2)
  C21 0.033(2) 0.034(2) 0.030(2) -0.003(2) 0.0048(18) -0.007(2)
  O12 0.0259(16) 0.054(2) 0.0369(17) 0.0005(18) 0.0023(13) -0.0011(17)
  O22 0.0414(18) 0.072(3) 0.0280(15) -0.0013(18) 0.0056(16) 0.006(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ru N1A 5 2.050(3) no
  Ru N1A . 2.050(3) yes
  Ru N1A 9 2.050(3) no
  Ru N1 9 2.056(3) no
  Ru N1 . 2.056(3) yes
  Ru N1 5 2.056(3) no
  N1 C6 . 1.349(5) ?
  N1 C2 . 1.351(5) ?
  C2 C3 . 1.400(6) ?
  C2 C2A . 1.468(5) ?
  C3 C4 . 1.375(7) ?
  C3 H3 . 0.9300 ?
  C4 C5 . 1.369(8) ?
  C4 H4 . 0.9300 ?
  C5 C6 . 1.377(6) ?
  C5 H5 . 0.9300 ?
  C6 H6 . 0.9300 ?
  N1A C6A . 1.342(5) ?
  N1A C2A . 1.352(5) ?
  C2A C3A . 1.393(6) ?
  C3A C4A . 1.372(8) ?
  C3A H3A . 0.9300 ?
  C4A C5A . 1.347(8) ?
  C4A H4A . 0.9300 ?
  C5A C6A . 1.377(7) ?
  C5A H5A . 0.9300 ?
  C6A H6A . 0.9300 ?
  Na O12 11_455 2.347(4) no
  Na O12 . 2.347(4) yes
  Na O12 8 2.347(4) no
  Na O22 . 2.388(3) yes
  Na O22 8 2.388(3) no
  Na O22 11_455 2.388(3) no
  Na C11 11_455 3.028(5) ?
  Na C11 8 3.028(5) ?
  Na C11 . 3.028(5) ?
  Na C21 . 3.061(5) ?
  Na C21 11_455 3.061(5) ?
  Na C21 8 3.061(5) ?
  Al O21 . 1.882(3) yes
  Al O21 10_655 1.882(3) no
  Al O21 7_564 1.882(3) no
  Al O11 . 1.899(3) yes
  Al O11 7_564 1.899(3) no
  Al O11 10_655 1.899(3) no
  O11 C11 . 1.278(5) ?
  O21 C21 . 1.270(5) ?
  C11 O12 . 1.206(5) ?
  C11 C21 . 1.561(6) ?
  C21 O22 . 1.217(5) ?