data_2007081
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  351
_journal_page_last  352
_publ_section_title
;
Sodium Hydrogen Hexaacetatodirhodate(II)
;
loop_
_publ_author_name
  'Wei, Xinyi'
  'Dickman, Michael H.'
  'Pope, Michael T.'
_chemical_formula_sum  'C12 H19 Na O12 Rh2'
_chemical_formula_iupac  '[Na] [H] [Rh2 (C2 H3 O2)6]'
_chemical_formula_weight  584.08
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  14.6450(9)
_cell_length_b  17.9176(12)
_cell_length_c  8.1520(5)
_cell_angle_alpha  90.00
_cell_angle_beta  114.1880(10)
_cell_angle_gamma  90.00
_cell_volume  1951.3(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.988
_diffrn_ambient_temperature  173(2)
_refine_ls_R_factor_obs  .033
_refine_ls_wR_factor_obs  .0651
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Rh1  .20877(2)  .301196(14)  .53392(3)  .01163(8) Uani d . 1 . Rh
  O1  .1003(2)  .22852(14)  .5269(4)  .0212(5) Uani d . 1 . O
  O2  .1780(2)  .13160(14)  .4621(4)  .0196(5) Uani d . 1 . O
  O3  .2873(2)  .27678(14)  .8004(3)  .0184(5) Uani d . 1 . O
  O4  .3663(2)  .18076(13)  .7354(3)  .0166(5) Uani d . 1 . O
  O5  .1167(2)  .39949(14)  .5598(3)  .0184(5) Uani d . 1 . O
  O6  .0741(2)  .5067(2)  .6425(4)  .0337(7) Uani d D 1 . O
  C1  .1086(3)  .1597(2)  .4967(5)  .0186(7) Uani d . 1 . C
  C2  .0281(4)  .1086(3)  .5010(8)  .0340(10) Uani d . 1 . C
  H2A  -.031(7)  .124(5)  .424(12)  .13(4)  Uiso d . 1 . H
  H2B  .037(5)  .098(4)  .629(10)  .08(2)  Uiso d . 1 . H
  H2C  .038(5)  .060(4)  .464(10)  .08(2)  Uiso d . 1 . H
  C3  .3466(2)  .2216(2)  .8445(4)  .0147(6) Uani d . 1 . C
  C4  .3976(3)  .2032(3) 1.0409(5)  .0230(8) Uani d . 1 . C
  H4A  .359(4)  .216(3)  1.103(7)  .032(13) Uiso d . 1 . H
  H4B  .464(8)  .228(6)  1.102(13)  .15(4)  Uiso d . 1 . H
  H4C  .419(5)  .156(4)  1.062(9)  .07(2)  Uiso d . 1 . H
  C5  .1364(3)  .4527(2)  .6669(5)  .0178(7) Uani d . 1 . C
  C6  .2335(4)  .4584(3)  .8276(7)  .0350(12) Uani d . 1 . C
  H6A  .234(6)  .432(5)  .910(12)  .10(3)  Uiso d . 1 . H
  H6B  .248(4)  .500(3)  .873(7)  .041(15) Uiso d . 1 . H
  H6C  .276(5)  .438(4)  .815(9)  .07(2)  Uiso d . 1 . H
  Na1  .0000  .60323(11)  .7500  .0158(4) Uani d S 1 . Na
  H6O  .022(6)  .506(8)  .548(11)  .050 Uiso d PD  .50 . H
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
  Rh1  .01161(12)  .01055(12)  .01195(13)  .00321(9)  .00403(9)  -.00032(9)
  O1  .0191(12)  .0175(12)  .0282(14)  .0024(10)  .0110(11)  .0005(11)
  O2  .0186(12)  .0152(12)  .0240(13)  .0014(10)  .0077(10)  .0024(10)
  O3  .0198(12)  .0208(12)  .0129(11)  .0061(10)  .0048(10)  .0011(10)
  O4  .0177(12)  .0178(12)  .0129(11)  .0060(9)  .0050(9)  .0016(9)
  O5  .0186(12)  .0154(11)  .0203(12)  .0050(10)  .0071(10)  -.0034(10)
  O6  .028(2)  .0233(14)  .035(2)  .0121(12)  -.0026(12)  -.0141(13)
  C1  .015(2)  .019(2)  .021(2)  -.0015(13)  .0063(14)  .0012(14)
  C2  .028(2)  .027(2)  .051(3)  -.008(2)  .019(2)  .003(2)
  C3  .0116(15)  .019(2)  .012(2)  .0007(12)  .0039(12)  .0024(12)
  C4  .023(2)  .034(2)  .011(2)  .008(2)  .0047(14)  .006(2)
  C5  .018(2)  .0141(15)  .019(2)  .0030(13)  .0050(14)  -.0019(13)
  C6  .026(2)  .025(2)  .036(3)  .006(2)  -.007(2)  -.014(2)
  Na1  .0134(9)  .0143(9)  .0184(9)  .000  .0050(7)  .000
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
  Rh1 O1 . 2.037(3) yes
  Rh1 O2 7_556 2.038(3) yes
  Rh1 O4 7_556 2.039(2) yes
  Rh1 O3 . 2.046(2) yes
  Rh1 O5 . 2.279(2) yes
  Rh1 Rh1 7_556 2.3827(5) yes
  O1 C1 . 1.273(4) no
  O2 C1 . 1.266(4) no
  O2 Rh1 7_556 2.038(3) no
  O3 C3 . 1.267(4) no
  O4 C3 . 1.273(4) no
  O4 Rh1 7_556 2.039(2) no
  O4 Na1 3_545 2.363(3) yes
  O5 C5 . 1.244(4) yes
  O5 Na1 5_566 2.401(2) yes
  O6 C5 . 1.287(4) yes
  O6 Na1 . 2.391(3) yes
  O6 H6O .  .83(3) yes
  C1 C2 . 1.504(5) no
  C2 H2A .  .88(9) no
  C2 H2B . 1.02(7) no
  C2 H2C .  .95(8) no
  C3 C4 . 1.500(5) no
  C4 H4A .  .92(5) no
  C4 H4B . 1.00(11) no
  C4 H4C .  .89(7) no
  C5 C6 . 1.491(5) yes
  C6 H6A .  .83(9) no
  C6 H6B .  .82(6) no
  C6 H6C .  .75(7) no
  Na1 O4 4_556 2.363(3) no
  Na1 O4 3_455 2.363(3) no
  Na1 O6 2_556 2.391(3) no
  Na1 O5 5_566 2.401(2) no
  Na1 O5 6_566 2.401(2) no