data_2009107
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1746
_journal_page_last  1748
_publ_section_title
;
fac-Triaquatrichloroindium(III)
;
loop_
_publ_author_name
  ' Aris, Damian R.'
  'Errington, William'
  ' Willey, Gerald R.'
_chemical_formula_sum  'Cl3 H6 In O3'
_chemical_formula_iupac  '[In Cl3 (H2 O)3]'
_chemical_formula_weight  275.22
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  12.0332(6)
_cell_length_b  10.5925(6)
_cell_length_c  12.1984(7)
_cell_angle_alpha  90.00
_cell_angle_beta  107.432(3)
_cell_angle_gamma  90.00
_cell_volume  1483.42(14)
_cell_formula_units_Z  8
_cell_measurement_temperature  200(2)
_exptl_crystal_density_diffrn  2.465
_diffrn_ambient_temperature  200(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
  In1  .65514(2)  .23959(2)  .24049(2)  .01855(7) Uani d . 1 . . In
  In2  .63181(2)  .26402(2)  .71172(2)  .01874(7) Uani d . 1 . . In
  Cl11  .83326(7)  .15079(7)  .36946(7)  .03266(19) Uani d . 1 . . Cl
  Cl12  .62073(7)  .08947(7)  .08396(7)  .02783(18) Uani d . 1 . . Cl
  Cl13  .52416(6)  .14110(7)  .33731(7)  .02628(17) Uani d . 1 . . Cl
  Cl21  .64994(6)  .40740(7)  .87446(7)  .02554(17) Uani d . 1 . . Cl
  Cl22  .73829(7)  .39334(7)  .61140(7)  .02891(18) Uani d . 1 . . Cl
  Cl23  .43871(6)  .30751(8)  .58456(7)  .02978(18) Uani d . 1 . . Cl
  O11  .7646(2)  .3621(2)  .1688(2)  .0302(5) Uani d D 1 . . O
  H11A  .811(3)  .328(3)  .146(3)  .050(13) Uiso d D 1 . . H
  H11B  .738(3)  .413(3)  .122(3)  .073(16) Uiso d D 1 . . H
  O12  .6545(2)  .4093(2)  .3430(2)  .0307(5) Uani d D 1 . . O
  H12A  .649(4)  .404(4)  .405(2)  .074(17) Uiso d D 1 . . H
  H12B  .705(3)  .460(3)  .352(4)  .090(18) Uiso d D 1 . . H
  O13  .5113(2)  .3514(2)  .1254(2)  .0339(6) Uani d D 1 . . O
  H13A  .483(3)  .413(2)  .144(3)  .046(12) Uiso d D 1 . . H
  H13B  .463(2)  .332(3)  .069(2)  .036(11) Uiso d D 1 . . H
  O21  .6348(2)  .0964(2)  .6030(2)  .0260(5) Uani d D 1 . . O
  H21A  .621(4)  .112(5)  .540(2)  .10(2) Uiso d D 1 . . H
  H21B  .692(3)  .060(4)  .620(4)  .090(19) Uiso d D 1 . . H
  O22  .5595(2)  .1230(2)  .8046(2)  .0284(5) Uani d D 1 . . O
  H22A  .549(3)  .056(2)  .784(3)  .055(14) Uiso d D 1 . . H
  H22B  .561(3)  .128(3)  .8665(18)  .038(12) Uiso d D 1 . . H
  O23  .8013(2)  .1748(2)  .8042(2)  .0296(5) Uani d D 1 . . O
  H23A  .855(2)  .217(3)  .825(3)  .046(13) Uiso d D 1 . . H
  H23B  .807(4)  .124(3)  .848(3)  .09(2) Uiso d D 1 . . 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
  In1  .02074(12)  .01679(11)  .01607(13)  .00077(8)  .00238(9)  -.00055(8)
  In2  .02165(12)  .01684(11)  .01670(13)  -.00006(8)  .00417(9)  .00023(8)
  Cl11  .0287(4)  .0322(4)  .0278(4)  .0052(3)  -.0056(3)  .0028(4)
  Cl12  .0350(4)  .0252(4)  .0197(4)  .0021(3)  .0026(3)  -.0065(3)
  Cl13  .0274(4)  .0289(4)  .0229(4)  -.0043(3)  .0081(3)  -.0005(3)
  Cl21  .0313(4)  .0227(4)  .0218(4)  -.0014(3)  .0067(3)  -.0048(3)
  Cl22  .0358(4)  .0276(4)  .0239(4)  -.0081(3)  .0098(4)  .0025(3)
  Cl23  .0248(4)  .0375(4)  .0243(4)  .0065(3)  .0032(3)  .0033(4)
  O11  .0309(13)  .0273(12)  .0353(15)  .0023(10)  .0145(12)  .0085(12)
  O12  .0471(15)  .0214(12)  .0237(14)  -.0064(11)  .0106(12)  -.0073(10)
  O13  .0349(14)  .0298(13)  .0255(14)  .0143(11)  -.0083(12)  -.0044(11)
  O21  .0315(14)  .0234(12)  .0213(13)  .0033(10)  .0051(11)  -.0018(10)
  O22  .0403(14)  .0245(13)  .0226(14)  -.0052(10)  .0130(11)  -.0001(11)
  O23  .0250(13)  .0274(13)  .0318(14)  .0005(10)  .0014(11)  .0026(12)
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
  In1 O12 . 2.191(2) y
  In1 O11 . 2.207(2) y
  In1 O13 . 2.217(2) y
  In1 Cl12 . 2.4232(8) y
  In1 Cl11 . 2.4358(8) y
  In1 Cl13 . 2.4662(7) y
  In2 O22 . 2.205(2) y
  In2 O21 . 2.223(2) y
  In2 O23 . 2.224(2) y
  In2 Cl23 . 2.4203(8) y
  In2 Cl22 . 2.4403(7) y
  In2 Cl21 . 2.4568(7) y