#------------------------------------------------------------------------------
#$Date: 2019-11-28 18:11:32 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244245 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/85/7238589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7238589
loop_
_publ_author_name
'Górska, Natalia'
'Inaba, Akira'
'Hirao, Yasukazu'
'Mikuli, Edward'
'Hołderna-Natkaniec, Krystyna'
_publ_section_title
;
 Structure, molecular motion, and phase transition of a highly disordered
 crystal [Co(NH3)6](ClO4)3
;
_journal_issue                   10
_journal_name_full               'RSC Advances'
_journal_page_first              4283
_journal_paper_doi               10.1039/c2ra01184k
_journal_volume                  2
_journal_year                    2012
_chemical_formula_moiety         'H18 Cl3 Co N6 O12'
_chemical_formula_sum            'Cl3 Co H18 N6 O12'
_chemical_formula_weight         459.48
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3 m'
_atom_sites_solution_hydrogens   'no H-atoms'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.455(3)
_cell_length_b                   11.455(3)
_cell_length_c                   11.455(3)
_cell_measurement_reflns_used    5280
_cell_measurement_temperature    340
_cell_measurement_theta_max      34.90
_cell_measurement_theta_min      3.08
_cell_volume                     1503.1(7)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      340
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0112
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5305
_diffrn_reflns_theta_full        34.89
_diffrn_reflns_theta_max         34.89
_diffrn_reflns_theta_min         3.08
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.747
_exptl_absorpt_correction_T_max  0.497
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.287
_refine_ls_hydrogen_treatment    'no H-atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         208
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.283
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0664
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1460P)²+1.2564P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2086
_refine_ls_wR_factor_ref         0.2096
_reflns_number_gt                205
_reflns_number_total             208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ra01184k.txt
_cod_data_source_block           co+67
_cod_original_cell_volume        1503.0(7)
_cod_original_formula_sum        'H18 Cl3 Co N6 O12'
_cod_database_code               7238589
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, z, y'
'y, -z, x'
'y, x, -z'
'x, -z, y'
'-z, y, x'
'z, x, -y'
'y, z, -x'
'z, y, -x'
'-z, x, -y'
'x, z, -y'
'y, -z, -x'
'x, -z, -y'
'-z, y, -x'
'x, -y, z'
'y, -x, z'
'x, -y, -z'
'y, -x, -z'
'-y, -z, -x'
'-x, -y, z'
'-y, -x, -z'
'-z, -x, -y'
'-z, -y, -x'
'z, -x, -y'
'x, y+1/2, z+1/2'
'x, z+1/2, y+1/2'
'y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'x, -z+1/2, y+1/2'
'-z, y+1/2, x+1/2'
'z, x+1/2, -y+1/2'
'y, z+1/2, -x+1/2'
'z, y+1/2, -x+1/2'
'-z, x+1/2, -y+1/2'
'x, z+1/2, -y+1/2'
'y, -z+1/2, -x+1/2'
'x, -z+1/2, -y+1/2'
'-z, y+1/2, -x+1/2'
'x, -y+1/2, z+1/2'
'y, -x+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-y, -z+1/2, -x+1/2'
'-x, -y+1/2, z+1/2'
'-y, -x+1/2, -z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, -y+1/2, -x+1/2'
'z, -x+1/2, -y+1/2'
'x+1/2, y, z+1/2'
'x+1/2, z, y+1/2'
'y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'x+1/2, -z, y+1/2'
'-z+1/2, y, x+1/2'
'z+1/2, x, -y+1/2'
'y+1/2, z, -x+1/2'
'z+1/2, y, -x+1/2'
'-z+1/2, x, -y+1/2'
'x+1/2, z, -y+1/2'
'y+1/2, -z, -x+1/2'
'x+1/2, -z, -y+1/2'
'-z+1/2, y, -x+1/2'
'x+1/2, -y, z+1/2'
'y+1/2, -x, z+1/2'
'x+1/2, -y, -z+1/2'
'y+1/2, -x, -z+1/2'
'-y+1/2, -z, -x+1/2'
'-x+1/2, -y, z+1/2'
'-y+1/2, -x, -z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, -y, -x+1/2'
'z+1/2, -x, -y+1/2'
'x+1/2, y+1/2, z'
'x+1/2, z+1/2, y'
'y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'x+1/2, -z+1/2, y'
'-z+1/2, y+1/2, x'
'z+1/2, x+1/2, -y'
'y+1/2, z+1/2, -x'
'z+1/2, y+1/2, -x'
'-z+1/2, x+1/2, -y'
'x+1/2, z+1/2, -y'
'y+1/2, -z+1/2, -x'
'x+1/2, -z+1/2, -y'
'-z+1/2, y+1/2, -x'
'x+1/2, -y+1/2, z'
'y+1/2, -x+1/2, z'
'x+1/2, -y+1/2, -z'
'y+1/2, -x+1/2, -z'
'-y+1/2, -z+1/2, -x'
'-x+1/2, -y+1/2, z'
'-y+1/2, -x+1/2, -z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, -y+1/2, -x'
'z+1/2, -x+1/2, -y'
'-x, -y, -z'
'-x, -z, -y'
'-y, z, -x'
'-y, -x, z'
'-x, z, -y'
'z, -y, -x'
'-z, -x, y'
'-y, -z, x'
'-z, -y, x'
'z, -x, y'
'-x, -z, y'
'-y, z, x'
'-x, z, y'
'z, -y, x'
'-x, y, -z'
'-y, x, -z'
'-x, y, z'
'-y, x, z'
'y, z, x'
'x, y, -z'
'y, x, z'
'z, x, y'
'z, y, x'
'-z, x, y'
'-x, -y+1/2, -z+1/2'
'-x, -z+1/2, -y+1/2'
'-y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'-x, z+1/2, -y+1/2'
'z, -y+1/2, -x+1/2'
'-z, -x+1/2, y+1/2'
'-y, -z+1/2, x+1/2'
'-z, -y+1/2, x+1/2'
'z, -x+1/2, y+1/2'
'-x, -z+1/2, y+1/2'
'-y, z+1/2, x+1/2'
'-x, z+1/2, y+1/2'
'z, -y+1/2, x+1/2'
'-x, y+1/2, -z+1/2'
'-y, x+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'y, z+1/2, x+1/2'
'x, y+1/2, -z+1/2'
'y, x+1/2, z+1/2'
'z, x+1/2, y+1/2'
'z, y+1/2, x+1/2'
'-z, x+1/2, y+1/2'
'-x+1/2, -y, -z+1/2'
'-x+1/2, -z, -y+1/2'
'-y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'-x+1/2, z, -y+1/2'
'z+1/2, -y, -x+1/2'
'-z+1/2, -x, y+1/2'
'-y+1/2, -z, x+1/2'
'-z+1/2, -y, x+1/2'
'z+1/2, -x, y+1/2'
'-x+1/2, -z, y+1/2'
'-y+1/2, z, x+1/2'
'-x+1/2, z, y+1/2'
'z+1/2, -y, x+1/2'
'-x+1/2, y, -z+1/2'
'-y+1/2, x, -z+1/2'
'-x+1/2, y, z+1/2'
'-y+1/2, x, z+1/2'
'y+1/2, z, x+1/2'
'x+1/2, y, -z+1/2'
'y+1/2, x, z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, y, x+1/2'
'-z+1/2, x, y+1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, -z+1/2, -y'
'-y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'-x+1/2, z+1/2, -y'
'z+1/2, -y+1/2, -x'
'-z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, x'
'-z+1/2, -y+1/2, x'
'z+1/2, -x+1/2, y'
'-x+1/2, -z+1/2, y'
'-y+1/2, z+1/2, x'
'-x+1/2, z+1/2, y'
'z+1/2, -y+1/2, x'
'-x+1/2, y+1/2, -z'
'-y+1/2, x+1/2, -z'
'-x+1/2, y+1/2, z'
'-y+1/2, x+1/2, z'
'y+1/2, z+1/2, x'
'x+1/2, y+1/2, -z'
'y+1/2, x+1/2, z'
'z+1/2, x+1/2, y'
'z+1/2, y+1/2, x'
'-z+1/2, x+1/2, y'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.0000 0.0000 0.0000 0.0276(6) Uani 1 48 d S
Cl2 Cl 0.2500 0.2500 0.2500 0.0496(9) Uani 1 24 d S
Cl1 Cl 0.5000 0.0000 0.0000 0.0357(7) Uani 1 48 d S
N1 N 0.1725(4) 0.0000 0.0000 0.0431(10) Uani 1 8 d S
O1 O 0.4270(5) 0.0730(5) 0.0730(5) 0.063(3) Uani 0.50 6 d SP
O2 O 0.1196(13) 0.2500 0.2500 0.083(5) Uani 0.3493(7) 4 d SP
O3 O 0.1814(8) 0.1814(8) 0.1814(8) 0.101(4) Uani 0.4761(10) 6 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Co1 N1 90.0 97 100
N1 Co1 N1 180.0 97 .
N1 Co1 N1 90.0 100 .
N1 Co1 N1 90.0 97 3
N1 Co1 N1 90.0 100 3
N1 Co1 N1 90.0 . 3
N1 Co1 N1 90.0 97 99
N1 Co1 N1 90.0 100 99
N1 Co1 N1 90.0 . 99
N1 Co1 N1 180.0 3 99
N1 Co1 N1 90.0 97 4
N1 Co1 N1 180.0 100 4
N1 Co1 N1 90.0 . 4
N1 Co1 N1 90.0 3 4
N1 Co1 N1 90.0 99 4
O3 Cl2 O3 109.471(1) . 172
O3 Cl2 O3 109.5 . 147
O3 Cl2 O3 109.471(3) 172 147
O3 Cl2 O3 109.5 . 126
O3 Cl2 O3 109.471(1) 172 126
O3 Cl2 O3 109.5 147 126
O3 Cl2 O2 125.3 . 149
O3 Cl2 O2 54.736(1) 172 149
O3 Cl2 O2 54.736(1) 147 149
O3 Cl2 O2 125.264(2) 126 149
O3 Cl2 O2 54.736(1) . .
O3 Cl2 O2 125.264(1) 172 .
O3 Cl2 O2 125.264(2) 147 .
O3 Cl2 O2 54.736(1) 126 .
O2 Cl2 O2 180.0 149 .
O3 Cl2 O2 54.7 . 176
O3 Cl2 O2 54.736(1) 172 176
O3 Cl2 O2 125.264(1) 147 176
O3 Cl2 O2 125.264(1) 126 176
O2 Cl2 O2 90.000(1) 149 176
O2 Cl2 O2 90.000(1) . 176
O3 Cl2 O2 54.736(1) . 58
O3 Cl2 O2 125.264(1) 172 58
O3 Cl2 O2 54.7 147 58
O3 Cl2 O2 125.264(2) 126 58
O2 Cl2 O2 90.000(1) 149 58
O2 Cl2 O2 90.000(2) . 58
O2 Cl2 O2 90.000(1) 176 58
O3 Cl2 O2 125.264(1) . 172
O3 Cl2 O2 54.736(1) 172 172
O3 Cl2 O2 125.264(2) 147 172
O3 Cl2 O2 54.736(1) 126 172
O2 Cl2 O2 90.000(2) 149 172
O2 Cl2 O2 90.000(1) . 172
O2 Cl2 O2 90.0 176 172
O2 Cl2 O2 180.000(3) 58 172
O3 Cl2 O2 125.264(2) . 147
O3 Cl2 O2 125.264(2) 172 147
O3 Cl2 O2 54.7 147 147
O3 Cl2 O2 54.7 126 147
O2 Cl2 O2 90.000(1) 149 147
O2 Cl2 O2 90.000(1) . 147
O2 Cl2 O2 180.000(1) 176 147
O2 Cl2 O2 90.000(1) 58 147
O2 Cl2 O2 90.0 172 147
O1 Cl1 O1 180.0(10) 56 152_554
O1 Cl1 O1 70.5 56 150
O1 Cl1 O1 109.5 152_554 150
O1 Cl1 O1 109.471(1) 56 97_655
O1 Cl1 O1 70.5 152_554 97_655
O1 Cl1 O1 70.5 150 97_655
O1 Cl1 O1 70.5 56 101_655
O1 Cl1 O1 109.5 152_554 101_655
O1 Cl1 O1 109.5 150 101_655
O1 Cl1 O1 70.5 97_655 101_655
O1 Cl1 O1 109.5 56 5
O1 Cl1 O1 70.5 152_554 5
O1 Cl1 O1 70.5 150 5
O1 Cl1 O1 109.5 97_655 5
O1 Cl1 O1 180.0(10) 101_655 5
O1 Cl1 O1 70.5 56 .
O1 Cl1 O1 109.471(1) 152_554 .
O1 Cl1 O1 109.5 150 .
O1 Cl1 O1 180.0(10) 97_655 .
O1 Cl1 O1 109.5 101_655 .
O1 Cl1 O1 70.5 5 .
O1 Cl1 O1 109.5 56 54_554
O1 Cl1 O1 70.5 152_554 54_554
O1 Cl1 O1 180.0(10) 150 54_554
O1 Cl1 O1 109.5 97_655 54_554
O1 Cl1 O1 70.5 101_655 54_554
O1 Cl1 O1 109.5 5 54_554
O1 Cl1 O1 70.5 . 54_554
Cl1 O1 O1 54.736(1) . 56
Cl1 O1 O1 54.7 . 54_554
O1 O1 O1 90.0 56 54_554
Cl1 O1 O1 54.7 . 5
O1 O1 O1 90.0 56 5
O1 O1 O1 90.0 54_554 5
O3 O2 O3 115.0(17) 126 .
O3 O2 Cl2 57.5(8) 126 .
O3 O2 Cl2 57.5(8) . .
O2 O3 O2 106.6(9) 58 176
O2 O3 O2 106.6(9) 58 .
O2 O3 O2 106.6(9) 176 .
O2 O3 Cl2 67.8(8) 58 .
O2 O3 Cl2 67.8(8) 176 .
O2 O3 Cl2 67.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 1.976(4) 97
Co1 N1 1.976(4) 100
Co1 N1 1.976(4) .
Co1 N1 1.976(4) 3
Co1 N1 1.976(4) 99
Co1 N1 1.976(4) 4
Cl2 O3 1.360(16) .
Cl2 O3 1.360(16) 172
Cl2 O3 1.360(16) 147
Cl2 O3 1.360(16) 126
Cl2 O2 1.493(15) 149
Cl2 O2 1.493(15) .
Cl2 O2 1.493(15) 176
Cl2 O2 1.493(15) 58
Cl2 O2 1.493(15) 172
Cl2 O2 1.493(15) 147
Cl1 O1 1.448(9) 56
Cl1 O1 1.448(9) 152_554
Cl1 O1 1.448(9) 150
Cl1 O1 1.448(9) 97_655
Cl1 O1 1.448(9) 101_655
Cl1 O1 1.448(9) 5
Cl1 O1 1.448(9) .
Cl1 O1 1.448(9) 54_554
O1 O1 1.672(11) 56
O1 O1 1.672(11) 54_554
O1 O1 1.672(11) 5
O2 O3 1.317(10) 126
O2 O3 1.317(10) .
O3 O2 1.317(10) 58
O3 O2 1.317(10) 176
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Cl1 O1 O1 180.0 152_554 56
O1 Cl1 O1 O1 60.0 150 56
O1 Cl1 O1 O1 180.0 97_655 56
O1 Cl1 O1 O1 -60.0 101_655 56
O1 Cl1 O1 O1 120.0 5 56
O1 Cl1 O1 O1 -120.0 54_554 56
O1 Cl1 O1 O1 120.0 56 54_554
O1 Cl1 O1 O1 -60.0 152_554 54_554
O1 Cl1 O1 O1 180.0 150 54_554
O1 Cl1 O1 O1 -60(100) 97_655 54_554
O1 Cl1 O1 O1 60.0 101_655 54_554
O1 Cl1 O1 O1 -120.0 5 54_554
O1 Cl1 O1 O1 -120.0 56 5
O1 Cl1 O1 O1 60.0 152_554 5
O1 Cl1 O1 O1 -60.0 150 5
O1 Cl1 O1 O1 60(100) 97_655 5
O1 Cl1 O1 O1 180.0 101_655 5
O1 Cl1 O1 O1 120.0 54_554 5
O3 Cl2 O2 O3 180.000(1) . 126
O3 Cl2 O2 O3 -90.000(1) 172 126
O3 Cl2 O2 O3 90.000(1) 147 126
O2 Cl2 O2 O3 0(100) 149 126
O2 Cl2 O2 O3 -135.000(1) 176 126
O2 Cl2 O2 O3 135.0 58 126
O2 Cl2 O2 O3 -45.0 172 126
O2 Cl2 O2 O3 45.000(2) 147 126
O3 Cl2 O2 O3 90.0 172 .
O3 Cl2 O2 O3 -90.0 147 .
O3 Cl2 O2 O3 180.0 126 .
O2 Cl2 O2 O3 0(100) 149 .
O2 Cl2 O2 O3 45.0 176 .
O2 Cl2 O2 O3 -45.0 58 .
O2 Cl2 O2 O3 135.0 172 .
O2 Cl2 O2 O3 -135.0 147 .
O3 O2 O3 O2 56.8(10) 126 58
Cl2 O2 O3 O2 56.8(10) . 58
O3 O2 O3 O2 -56.8(10) 126 176
Cl2 O2 O3 O2 -56.8(10) . 176
O3 O2 O3 Cl2 0.0 126 .
O3 Cl2 O3 O2 120.0 172 58
O3 Cl2 O3 O2 0.0 147 58
O3 Cl2 O3 O2 -120.0 126 58
O2 Cl2 O3 O2 60.0 149 58
O2 Cl2 O3 O2 -120.0 . 58
O2 Cl2 O3 O2 120.0 176 58
O2 Cl2 O3 O2 180.000(1) 172 58
O2 Cl2 O3 O2 -60.0 147 58
O3 Cl2 O3 O2 0.0 172 176
O3 Cl2 O3 O2 -120.0 147 176
O3 Cl2 O3 O2 120.0 126 176
O2 Cl2 O3 O2 -60.0 149 176
O2 Cl2 O3 O2 120.0 . 176
O2 Cl2 O3 O2 -120.0 58 176
O2 Cl2 O3 O2 60.0 172 176
O2 Cl2 O3 O2 180.000(1) 147 176
O3 Cl2 O3 O2 -120.0 172 .
O3 Cl2 O3 O2 120.000(1) 147 .
O3 Cl2 O3 O2 0.0 126 .
O2 Cl2 O3 O2 180.0 149 .
O2 Cl2 O3 O2 -120.0 176 .
O2 Cl2 O3 O2 120.0 58 .
O2 Cl2 O3 O2 -60.0 172 .
O2 Cl2 O3 O2 60.000(1) 147 .
