#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:46:10 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179305 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/02/4320263.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_4320263
loop_
_publ_author_name
'Maria Calleja'
'Karin Johnson'
'Warwick J. Belcher'
'Jonathan W. Steed'
_publ_section_title
;
 Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown
 Ethers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4978
_journal_page_last               4985
_journal_paper_doi               10.1021/ic010468i
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C12 H27 Au Cl4 O7'
_chemical_formula_weight         622.10
_chemical_name_common            compound_4_II
_chemical_name_systematic
; 
  ? 
;
_space_group_IT_number           10
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.084(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   13.4509(8)
_cell_length_b                   12.0398(7)
_cell_length_c                   20.2750(11)
_cell_measurement_temperature    123(2)
_cell_volume                     3232.7(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    res2ins
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '2o phi + omega frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            28128
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.38
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    7.349
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.214
_refine_diff_density_min         -4.830
_refine_diff_density_rms         0.299
_refine_ls_extinction_coef       0.00134(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5925
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      1.217
_refine_ls_R_factor_all          0.1735
_refine_ls_R_factor_gt           0.0871
_refine_ls_shift/su_max          2.230
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0620P)²+102.7857P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2364
_refine_ls_wR_factor_ref         0.2632
_reflns_number_gt                2088
_reflns_number_total             5925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010468i_5.cif
_cod_data_source_block           au18(formII)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+102.7857P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+102.7857P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4320263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'-x, -y, -z'
'x, -y, z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.5000 0.0000 0.0000 0.0302(5) Uani 1 d S . .
Au2 Au 0.0000 0.0000 0.0000 0.0317(5) Uani 1 d S . .
Au3 Au 0.16556(11) 0.0000 0.33131(6) 0.0257(4) Uani 1 d S . .
Au4 Au 0.66605(11) 0.0000 0.33135(6) 0.0252(4) Uani 1 d S . .
Cl1 Cl 0.5000 0.1899(8) 0.0000 0.026(2) Uani 0.80 d SP . .
Cl2 Cl 0.5302(7) 0.0000 0.1144(4) 0.0260(19) Uani 0.80 d SP . .
Cl3 Cl 0.0000 0.1900(8) 0.0000 0.043(2) Uani 1 d S . .
Cl4 Cl -0.1627(4) 0.0000 0.0174(2) 0.0003(9) Uiso 1 d S . .
Cl5 Cl 0.1341(7) 0.0000 0.2178(4) 0.0229(18) Uani 0.80 d SP . .
Cl6 Cl 0.1963(7) 0.0000 0.4474(4) 0.0241(19) Uani 0.80 d SP . .
Cl7 Cl 0.1659(5) 0.1887(4) 0.3322(3) 0.0371(12) Uani 1 d . . .
Cl8 Cl 0.5041(7) 0.0000 0.3532(4) 0.058(3) Uani 1 d S . .
Cl9 Cl 0.8384(9) 0.0000 0.3371(7) 0.063(3) Uani 1 d S . .
Cl10 Cl 0.6660(5) 0.1882(4) 0.3327(3) 0.0353(12) Uani 1 d . . .
O1 O 0.836(2) 0.5000 0.1664(13) 0.045(6) Uani 1 d SU . .
O2 O 0.338(2) 0.5000 0.1656(13) 0.051(6) Uani 1 d SU . .
O3 O 0.508(4) 0.5000 0.491(2) 0.026(10) Uiso 0.50 d SP . .
O4 O 1.0000 0.5000 0.5000 0.029(7) Uani 1 d SU . .
Cl2A Cl 0.3509(12) 0.0000 0.0140(8) 0.020(3) Uiso 0.40 d SP . .
Cl5A Cl 0.3528(14) 0.0000 0.3528(8) 0.026(4) Uiso 0.40 d SP . .
O1A O 1.0456(19) 0.5000 0.1827(11) 0.039(6) Uani 1 d SU . .
O2A O 0.9353(11) 0.2977(12) 0.1884(7) 0.027(3) Uani 1 d U . .
O3A O 0.7304(13) 0.3069(17) 0.1433(8) 0.047(4) Uani 1 d U . .
O4A O 0.6220(19) 0.5000 0.1475(11) 0.041(6) Uani 1 d SU . .
C1A C 1.0875(18) 0.4051(19) 0.2161(11) 0.034(5) Uani 1 d U . .
H1A1 H 1.0747 0.4050 0.2627 0.040 Uiso 1 calc R . .
H1A2 H 1.1614 0.4040 0.2174 0.040 Uiso 1 calc R . .
C2A C 1.0373(16) 0.299(2) 0.1775(10) 0.031(5) Uani 1 d U . .
H2A1 H 1.0395 0.3048 0.1290 0.037 Uiso 1 calc R . .
H2A2 H 1.0731 0.2308 0.1952 0.037 Uiso 1 calc R . .
C3A C 0.8890(19) 0.199(2) 0.1633(12) 0.043(6) Uani 1 d U . .
H3A1 H 0.9237 0.1334 0.1866 0.052 Uiso 1 calc R . .
H3A2 H 0.8886 0.1916 0.1146 0.052 Uiso 1 calc R . .
C4A C 0.785(2) 0.209(2) 0.1775(12) 0.044(6) Uani 1 d U . .
H4A1 H 0.7465 0.1409 0.1626 0.053 Uiso 1 calc R . .
H4A2 H 0.7878 0.2165 0.2264 0.053 Uiso 1 calc R . .
C5A C 0.6232(17) 0.302(2) 0.1516(11) 0.034(5) Uani 1 d U . .
H5A1 H 0.5909 0.2334 0.1312 0.040 Uiso 1 calc R . .
H5A2 H 0.6178 0.3031 0.1997 0.040 Uiso 1 calc R . .
C6A C 0.5744(17) 0.401(2) 0.1173(11) 0.035(5) Uani 1 d U . .
H6A1 H 0.5800 0.3986 0.0693 0.042 Uiso 1 calc R . .
H6A2 H 0.5018 0.4014 0.1206 0.042 Uiso 1 calc R . .
O1B O 0.4273(18) 0.5000 0.2998(12) 0.041(6) Uani 1 d SU . .
O2B O 0.3948(12) 0.2974(14) 0.2270(7) 0.036(4) Uani 1 d U . .
O3B O 0.2680(12) 0.3045(15) 0.1041(7) 0.038(4) Uani 1 d U . .
O4B O 0.2404(17) 0.5000 0.0325(11) 0.039(6) Uani 1 d SU . .
C1B C 0.4840(18) 0.401(2) 0.3221(11) 0.039(6) Uani 1 d U . .
H1B1 H 0.5020 0.4008 0.3716 0.047 Uiso 1 calc R . .
H1B2 H 0.5471 0.3990 0.3032 0.047 Uiso 1 calc R . .
C2B C 0.421(2) 0.307(2) 0.2993(11) 0.044(6) Uani 1 d U . .
H2B1 H 0.3585 0.3114 0.3182 0.053 Uiso 1 calc R . .
H2B2 H 0.4573 0.2383 0.3170 0.053 Uiso 1 calc R . .
C3B C 0.3399(17) 0.2026(18) 0.2029(10) 0.029(5) Uani 1 d U . .
H3B1 H 0.2754 0.2005 0.2200 0.035 Uiso 1 calc R . .
H3B2 H 0.3789 0.1350 0.2187 0.035 Uiso 1 calc R . .
C4B C 0.3193(18) 0.205(2) 0.1275(10) 0.033(5) Uani 1 d U . .
H4B1 H 0.3838 0.2007 0.1105 0.040 Uiso 1 calc R . .
H4B2 H 0.2776 0.1403 0.1102 0.040 Uiso 1 calc R . .
C5B C 0.2511(17) 0.3048(19) 0.0344(10) 0.031(5) Uani 1 d U . .
H5B1 H 0.2199 0.2338 0.0169 0.037 Uiso 1 calc R . .
H5B2 H 0.3155 0.3143 0.0179 0.037 Uiso 1 calc R . .
C6B C 0.182(2) 0.399(2) 0.0124(12) 0.044(6) Uani 1 d U . .
H6B1 H 0.1597 0.3972 -0.0368 0.052 Uiso 1 calc R . .
H6B2 H 0.1217 0.3955 0.0342 0.052 Uiso 1 calc R . .
O1C O 0.3976(13) 0.3024(16) 0.4799(8) 0.042(4) Uani 1 d U . .
O2C O 0.294(2) 0.5000 0.4810(12) 0.051(7) Uani 1 d SU . .
C1C C 0.4478(15) 0.2043(16) 0.5074(9) 0.023(4) Uani 1 d U . .
H1C1 H 0.4109 0.1378 0.4874 0.028 Uiso 1 calc R . .
H1C2 H 0.4499 0.2022 0.5564 0.028 Uiso 1 calc R . .
C2C C 0.2985(18) 0.310(2) 0.4882(11) 0.039(6) Uani 1 d U . .
H2C1 H 0.2962 0.3199 0.5363 0.047 Uiso 1 calc R . .
H2C2 H 0.2634 0.2398 0.4734 0.047 Uiso 1 calc R . .
C3C C 0.2459(19) 0.400(2) 0.4513(12) 0.041(6) Uani 1 d U . .
H3C1 H 0.2515 0.3957 0.4034 0.049 Uiso 1 calc R . .
H3C2 H 0.1736 0.3994 0.4552 0.049 Uiso 1 calc R . .
O1D O 0.9385(12) 0.3058(15) 0.4385(7) 0.040(4) Uani 1 d U . .
O2D O 0.906(2) 0.5000 0.3673(13) 0.052(7) Uani 1 d SU . .
C1D C 0.993(2) 0.205(3) 0.4633(12) 0.054(7) Uani 1 d U . .
H1D1 H 1.0597 0.2033 0.4488 0.065 Uiso 1 calc R . .
H1D2 H 0.9545 0.1386 0.4451 0.065 Uiso 1 calc R . .
C2D C 0.9153(18) 0.301(2) 0.3664(10) 0.036(5) Uani 1 d U . .
H2D1 H 0.8757 0.2338 0.3512 0.044 Uiso 1 calc R . .
H2D2 H 0.9778 0.3014 0.3469 0.044 Uiso 1 calc R . .
C3D C 0.8517(19) 0.409(2) 0.3460(11) 0.035(5) Uani 1 d U . .
H3D1 H 0.8316 0.4114 0.2966 0.042 Uiso 1 calc R . .
H3D2 H 0.7895 0.4068 0.3658 0.042 Uiso 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Au Au -2.0133 8.8022 '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'
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
_geom_angle_publ_flag
Cl2A Au1 Cl2A 180.0 . 3_655 ?
Cl2A Au1 Cl1 90.0 . 3_655 ?
Cl2A Au1 Cl1 90.0 3_655 3_655 ?
Cl2A Au1 Cl1 90.0 . . ?
Cl2A Au1 Cl1 90.0 3_655 . ?
Cl1 Au1 Cl1 180.0 3_655 . ?
Cl2A Au1 Cl2 97.7(5) . 3_655 ?
Cl2A Au1 Cl2 82.3(5) 3_655 3_655 ?
Cl1 Au1 Cl2 90.0 3_655 3_655 ?
Cl1 Au1 Cl2 90.0 . 3_655 ?
Cl2A Au1 Cl2 82.3(5) . . ?
Cl2A Au1 Cl2 97.7(5) 3_655 . ?
Cl1 Au1 Cl2 90.0 3_655 . ?
Cl1 Au1 Cl2 90.0 . . ?
Cl2 Au1 Cl2 180.0 3_655 . ?
Cl4 Au2 Cl4 180.0 . 3 ?
Cl4 Au2 Cl3 90.0 . . ?
Cl4 Au2 Cl3 90.0 3 . ?
Cl4 Au2 Cl3 90.0 . 3 ?
Cl4 Au2 Cl3 90.0 3 3 ?
Cl3 Au2 Cl3 180.0 . 3 ?
Cl5 Au3 Cl7 90.47(15) . 4 ?
Cl5 Au3 Cl7 90.47(15) . . ?
Cl7 Au3 Cl7 179.1(3) 4 . ?
Cl5 Au3 Cl6 179.5(4) . . ?
Cl7 Au3 Cl6 89.53(15) 4 . ?
Cl7 Au3 Cl6 89.53(15) . . ?
Cl5 Au3 Cl5A 100.5(4) . . ?
Cl7 Au3 Cl5A 89.87(18) 4 . ?
Cl7 Au3 Cl5A 89.87(18) . . ?
Cl6 Au3 Cl5A 80.0(4) . . ?
Cl10 Au4 Cl10 178.6(3) 4 . ?
Cl10 Au4 Cl9 90.10(17) 4 . ?
Cl10 Au4 Cl9 90.10(17) . . ?
Cl10 Au4 Cl8 89.74(16) 4 . ?
Cl10 Au4 Cl8 89.74(16) . . ?
Cl9 Au4 Cl8 166.2(4) . . ?
Cl5A Cl8 Au4 168.8(6) . . ?
Cl8 Cl5A Au3 170.3(9) . . ?
C1A O1A C1A 110(2) . 4_565 ?
C3A O2A C2A 109.4(17) . . ?
C4A O3A C5A 109.0(18) . . ?
C6A O4A C6A 112(3) . 4_565 ?
O1A C1A C2A 108.6(17) . . ?
O2A C2A C1A 105.7(17) . . ?
O2A C3A C4A 103(2) . . ?
O3A C4A C3A 113(2) . . ?
C6A C5A O3A 106.1(18) . . ?
O4A C6A C5A 110.0(19) . . ?
C1B O1B C1B 111(3) 4_565 . ?
C3B O2B C2B 115.9(18) . . ?
C5B O3B C4B 109.0(17) . . ?
C6B O4B C6B 112(3) . 4_565 ?
O1B C1B C2B 108(2) . . ?
C1B C2B O2B 114(2) . . ?
O2B C3B C4B 109.2(18) . . ?
O3B C4B C3B 110.5(18) . . ?
O3B C5B C6B 106.9(18) . . ?
O4B C6B C5B 105.9(19) . . ?
C2C O1C C1C 114.3(19) . . ?
C3C O2C C3C 112(3) 4_565 . ?
O1C C1C C1C 108.8(13) . 2_656 ?
O1C C2C C3C 113(2) . . ?
O2C C3C C2C 106(2) . . ?
C2D O1D C1D 108.9(18) . . ?
C3D O2D C3D 110(3) . 4_565 ?
O1D C1D C1D 108.4(17) . 2_756 ?
O1D C2D C3D 104.4(18) . . ?
O2D C3D C2D 111(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Cl2A 2.075(15) . ?
Au1 Cl2A 2.075(15) 3_655 ?
Au1 Cl1 2.287(10) 3_655 ?
Au1 Cl1 2.287(10) . ?
Au1 Cl2 2.285(8) 3_655 ?
Au1 Cl2 2.285(8) . ?
Au2 Cl4 2.276(5) . ?
Au2 Cl4 2.276(5) 3 ?
Au2 Cl3 2.288(10) . ?
Au2 Cl3 2.288(10) 3 ?
Au3 Cl5 2.267(7) . ?
Au3 Cl7 2.272(5) 4 ?
Au3 Cl7 2.272(5) . ?
Au3 Cl6 2.317(8) . ?
Au3 Cl5A 2.479(18) . ?
Au4 Cl10 2.267(5) 4 ?
Au4 Cl10 2.267(5) . ?
Au4 Cl9 2.301(11) . ?
Au4 Cl8 2.298(9) . ?
Cl8 Cl5A 2.03(2) . ?
O1A C1A 1.40(2) . ?
O1A C1A 1.40(2) 4_565 ?
O2A C3A 1.40(3) . ?
O2A C2A 1.43(3) . ?
O3A C4A 1.49(3) . ?
O3A C5A 1.48(3) . ?
O4A C6A 1.44(3) . ?
O4A C6A 1.44(3) 4_565 ?
C1A C2A 1.58(3) . ?
C3A C4A 1.48(3) . ?
C5A C6A 1.47(3) . ?
O1B C1B 1.44(3) 4_565 ?
O1B C1B 1.44(3) . ?
O2B C3B 1.40(3) . ?
O2B C2B 1.45(3) . ?
O3B C5B 1.39(2) . ?
O3B C4B 1.42(3) . ?
O4B C6B 1.47(3) . ?
O4B C6B 1.47(3) 4_565 ?
C1B C2B 1.44(4) . ?
C3B C4B 1.50(3) . ?
C5B C6B 1.48(3) . ?
O1C C2C 1.37(3) . ?
O1C C1C 1.42(3) . ?
O2C C3C 1.44(3) 4_565 ?
O2C C3C 1.44(3) . ?
C1C C1C 1.49(4) 2_656 ?
C2C C3C 1.43(3) . ?
O1D C2D 1.44(2) . ?
O1D C1D 1.46(3) . ?
O2D C3D 1.35(3) . ?
O2D C3D 1.35(3) 4_565 ?
C1D C1D 1.47(5) 2_756 ?
C2D C3D 1.57(3) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl10 Au4 Cl8 Cl5A -90.66(16) 4 . . . ?
Cl10 Au4 Cl8 Cl5A 90.66(16) . . . . ?
Cl9 Au4 Cl8 Cl5A 180.000(8) . . . . ?
Au4 Cl8 Cl5A Au3 0.000(17) . . . . ?
Cl5 Au3 Cl5A Cl8 0.000(8) . . . . ?
Cl7 Au3 Cl5A Cl8 90.46(14) 4 . . . ?
Cl7 Au3 Cl5A Cl8 -90.46(14) . . . . ?
Cl6 Au3 Cl5A Cl8 180.000(8) . . . . ?
C1A O1A C1A C2A 179.2(15) 4_565 . . . ?
C3A O2A C2A C1A -172.3(17) . . . . ?
O1A C1A C2A O2A -70(2) . . . . ?
C2A O2A C3A C4A -179.4(18) . . . . ?
C5A O3A C4A C3A 172(2) . . . . ?
O2A C3A C4A O3A 61(2) . . . . ?
C4A O3A C5A C6A 179.5(18) . . . . ?
C6A O4A C6A C5A -177.8(14) 4_565 . . . ?
O3A C5A C6A O4A -60(2) . . . . ?
C1B O1B C1B C2B 178.6(15) 4_565 . . . ?
O1B C1B C2B O2B 63(3) . . . . ?
C3B O2B C2B C1B 176(2) . . . . ?
C2B O2B C3B C4B -179.6(18) . . . . ?
C5B O3B C4B C3B 179.4(18) . . . . ?
O2B C3B C4B O3B -56(2) . . . . ?
C4B O3B C5B C6B 170.1(19) . . . . ?
C6B O4B C6B C5B 178.7(14) 4_565 . . . ?
O3B C5B C6B O4B 68(2) . . . . ?
C2C O1C C1C C1C 177.7(18) . . . 2_656 ?
C1C O1C C2C C3C -171.0(19) . . . . ?
C3C O2C C3C C2C -177.1(16) 4_565 . . . ?
O1C C2C C3C O2C -65(3) . . . . ?
C2D O1D C1D C1D -174(2) . . . 2_756 ?
C1D O1D C2D C3D 177(2) . . . . ?
C3D O2D C3D C2D 176.5(14) 4_565 . . . ?
O1D C2D C3D O2D 60(3) . . . . ?
