#------------------------------------------------------------------------------
#$Date: 2024-12-06 19:30:37 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296463 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249337.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_7249337
loop_
_publ_author_name
'Rozhkov, Anton V.'
'Tupikina, Elena Yu.'
'Tugashov, Kirill I.'
'Kukushkin, Vadim Yu.'
_publ_section_title
;
 Pure heterometallic spodium bonding
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              5607
_journal_page_last               5616
_journal_paper_doi               10.1039/D4CE00825A
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C22 H14 F10 Hg O4 Pt'
_chemical_formula_sum            'C22 H14 F10 Hg O4 Pt'
_chemical_formula_weight         928.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-02-28
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-04-02 deposited with the CCDC.	2024-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.276(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.8245(3)
_cell_length_b                   6.2102(2)
_cell_length_c                   15.9199(4)
_cell_measurement_reflns_used    4765
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.6430
_cell_measurement_theta_min      4.3330
_cell_volume                     1153.75(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  20.00   0.50    0.20    --  -47.38  74.00 131.00  176
  2  ω    -24.00  20.00   0.50    0.20    --   47.38 -74.00   3.00   88
  3  ω     23.00  51.00   0.50    0.20    --   47.38 -74.00   3.00   56
  4  ω     73.00 105.00   0.50    0.20    --   47.38  74.00 131.00   64
  5  ω    -95.00 -40.00   0.50    0.80    -- -106.00  74.00 131.00  110
  6  ω   -168.00-127.00   0.50    0.80    -- -106.00 -74.00   3.00   82
  7  ω    110.00 177.00   0.50    0.80    --  113.25  74.00 131.00  134
  8  ω     48.00  93.00   0.50    0.80    --  113.25 -74.00   3.00   90
  9  ω    -97.00 -72.00   0.50    0.20    --  -47.38 -74.00   3.00   50
 10  ω     75.00 102.00   0.50    0.20    --   47.38 125.00   0.00   54
 11  ω     74.00 119.00   0.50    0.20    --   47.38 125.00 -30.00   90
 12  ω    -64.00 -38.00   0.50    0.80    -- -106.00  61.00 120.00   52
 13  ω    -69.00 -34.00   0.50    0.80    -- -106.00  61.00 -30.00   70
 14  ω     44.00  70.00   0.50    0.80    --  113.25-125.00   0.00   52
 15  ω    121.00 178.00   0.50    0.80    --  113.25  30.00  90.00  114
 16  ω     45.00  72.00   0.50    0.80    --  113.25 -94.00-180.00   54
 17  ω     51.00 104.00   0.50    0.80    --  113.25 -94.00-150.00  106
 18  ω     75.00 103.00   0.50    0.80    --  113.25 -94.00 -90.00   56
 19  ω     42.00  67.00   0.50    0.80    --  113.25 -61.00-150.00   50
 20  ω     43.00  70.00   0.50    0.80    --  113.25 -61.00  30.00   54
 21  ω    101.00 127.00   0.50    0.80    --  113.25  45.00  90.00   52
 22  ω    148.00 175.00   0.50    0.80    --  113.25  45.00  90.00   54
 23  ω    150.00 175.00   0.50    0.80    --  113.25  30.00  30.00   50
 24  ω    123.00 149.00   0.50    0.80    --  113.25  30.00  30.00   52
 25  ω     75.00 106.00   0.50    0.80    --  113.25-125.00   0.00   62
 26  ω     46.00  71.00   0.50    0.80    --  113.25 -94.00 -90.00   50
 27  ω     45.00  70.00   0.50    0.80    --  113.25 -74.00   3.00   50
 28  ω     -5.00  21.00   0.50    0.20    --  -47.38  19.00 120.00   52
 29  ω    -12.00  28.00   0.50    0.20    --  -47.38  19.00  90.00   80
 30  ω    -24.00  22.00   0.50    0.20    --   47.38 -19.00  60.00   92
 31  ω   -158.00-129.00   0.50    0.80    -- -106.00 -15.00-150.00   58
 32  ω   -125.00 -93.00   0.50    0.80    -- -106.00 -15.00-150.00   64
 33  ω    -58.00 -33.00   0.50    0.80    -- -106.00 125.00   0.00   50
 34  ω   -163.00-137.00   0.50    0.80    -- -106.00 -61.00 -90.00   52
 35  ω   -131.00 -84.00   0.50    0.80    -- -106.00 -77.00 -60.00   94
 36  ω   -142.00 -94.00   0.50    0.80    -- -106.00 -15.00 -90.00   96
 37  ω   -141.00 -93.00   0.50    0.80    -- -106.00 -30.00-150.00   96
 38  ω   -126.00 -91.00   0.50    0.80    -- -106.00 -61.00 -90.00   70
 39  ω   -105.00 -73.00   0.50    0.80    -- -106.00 125.00   0.00   64
 40  ω   -133.00-107.00   0.50    0.80    -- -106.00 -45.00  60.00   52
 41  ω     92.00 133.00   0.50    0.80    --  113.25  77.00 150.00   82
 42  ω     48.00  74.00   0.50    0.80    --  113.25-125.00 150.00   52
 43  ω    148.00 174.00   0.50    0.80    --  113.25  77.00 120.00   52
 44  ω    105.00 137.00   0.50    0.80    --  113.25  77.00 120.00   64
 45  ω     42.00  67.00   0.50    0.80    --  113.25 -61.00  60.00   50
 46  ω     69.00  95.00   0.50    0.80    --  113.25 -77.00  90.00   52
 47  ω    135.00 170.00   0.50    0.80    --  113.25  61.00-120.00   70
 48  ω    138.00 169.00   0.50    0.80    --  113.25  77.00 150.00   62
 49  ω     65.00  91.00   0.50    0.80    --  113.25 -94.00  30.00   52
 50  ω     86.00 111.00   0.50    0.80    --  113.25-125.00 150.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0288959000
_diffrn_orient_matrix_UB_12      -0.0766633000
_diffrn_orient_matrix_UB_13      0.0860927000
_diffrn_orient_matrix_UB_21      0.0845363000
_diffrn_orient_matrix_UB_22      -0.1889518000
_diffrn_orient_matrix_UB_23      0.0000737000
_diffrn_orient_matrix_UB_31      0.0971236000
_diffrn_orient_matrix_UB_32      0.1412463000
_diffrn_orient_matrix_UB_33      0.0470103000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6349
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.849
_diffrn_reflns_theta_min         4.340
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    23.988
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71963
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.671
_exptl_crystal_description       prism
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.001
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.303
_refine_ls_extinction_coef       0.00075(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         1336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0652P)²+0.4526P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.0981
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1233
_reflns_number_total             1336
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00825a2.cif
_cod_data_source_block           030-057_rav-864
_cod_depositor_comments
'Adding full bibliography for 7249336--7249337.cif.'
_cod_database_code               7249337
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C22 H14 F10 Hg O4 Pt'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.533
_shelx_estimated_absorpt_t_min   0.327
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H1A(0.5) H1B(0.5) H1C(0.5) H5A(0.5) H5B(0.5) H5C(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3)
3.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.415
_oxdiff_exptl_absorpt_empirical_full_min 0.426
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1D Hg 1.000000 0.500000 0.500000 0.0189(2) Uani 1 4 d S T P . .
Pt1 Pt 1.000000 0.000000 0.500000 0.0153(2) Uani 1 4 d S T P . .
F1D F 1.0366(2) 0.500000 0.70133(17) 0.0306(6) Uani 1 2 d S T P . .
F5D F 0.7253(3) 0.500000 0.47580(19) 0.0312(7) Uani 1 2 d S T P . .
F2D F 0.8890(2) 0.500000 0.81473(17) 0.0355(7) Uani 1 2 d S T P . .
O1 O 0.8340(2) 0.000000 0.50851(18) 0.0217(6) Uani 1 2 d S T P . .
F3D F 0.6593(5) 0.500000 0.7585(4) 0.0323(12) Uani 1 2 d S T P . .
O2 O 0.9777(2) 0.000000 0.37331(18) 0.0211(6) Uani 1 2 d S T P . .
F4D F 0.5776(2) 0.500000 0.58902(19) 0.0352(6) Uani 1 2 d S T P . .
C5D C 0.6914(3) 0.500000 0.6162(3) 0.0257(9) Uani 1 2 d S T P . .
C3D C 0.8494(8) 0.500000 0.7315(6) 0.0247(15) Uani 1 2 d S T P . .
C4D C 0.7318(4) 0.500000 0.7020(3) 0.0271(9) Uani 1 2 d S T P . .
C2 C 0.7570(4) 0.000000 0.4428(3) 0.0225(10) Uani 1 2 d S T P . .
C1D C 0.8858(3) 0.500000 0.5854(3) 0.0219(8) Uani 1 2 d S T P . .
C4 C 0.8777(3) 0.000000 0.3270(2) 0.0201(8) Uani 1 2 d S T P . .
C2D C 0.9225(3) 0.500000 0.6715(3) 0.0237(8) Uani 1 2 d S T P . .
C3 C 0.7730(3) 0.000000 0.3586(3) 0.0249(9) Uani 1 2 d S T P . .
H3 H 0.705499 0.000000 0.317162 0.030 Uiso 1 2 calc R U P . .
C1 C 0.6357(4) 0.000000 0.4628(3) 0.0286(9) Uani 1 2 d S T P . .
H1A H 0.605130 -0.146973 0.458158 0.043 Uiso 0.5 1 calc R U P A -1
H1B H 0.587306 0.093507 0.422344 0.043 Uiso 0.5 1 calc R U P A -1
H1C H 0.636301 0.053466 0.520791 0.043 Uiso 0.5 1 calc R U P A -1
C6D C 0.7679(4) 0.500000 0.5597(3) 0.0236(8) Uani 1 2 d S T P . .
C5 C 0.8788(4) 0.000000 0.2336(3) 0.0281(9) Uani 1 2 d S T P . .
H5A H 0.929675 0.114291 0.219472 0.042 Uiso 0.5 1 calc R U P B -1
H5B H 0.800973 0.025346 0.203271 0.042 Uiso 0.5 1 calc R U P B -1
H5C H 0.906314 -0.139637 0.216531 0.042 Uiso 0.5 1 calc R U P B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -4.2923 7.6849 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
Pt1 Hg1D Pt1 180.0 . 1_565 ?
C1D Hg1D Pt1 90.0 5_766 . ?
C1D Hg1D Pt1 90.0 . . ?
C1D Hg1D Pt1 90.0 . 1_565 ?
C1D Hg1D Pt1 90.0 5_766 1_565 ?
C1D Hg1D C1D 180.0 5_766 . ?
Hg1D Pt1 Hg1D 180.0 1_545 . ?
O1 Pt1 Hg1D 90.0 . . ?
O1 Pt1 Hg1D 90.0 5_756 1_545 ?
O1 Pt1 Hg1D 90.0 . 1_545 ?
O1 Pt1 Hg1D 90.0 5_756 . ?
O1 Pt1 O1 180.0 . 5_756 ?
O1 Pt1 O2 95.63(11) 5_756 5_756 ?
O1 Pt1 O2 84.37(11) . 5_756 ?
O1 Pt1 O2 84.37(11) 5_756 . ?
O1 Pt1 O2 95.63(11) . . ?
O2 Pt1 Hg1D 90.0 . . ?
O2 Pt1 Hg1D 90.0 . 1_545 ?
O2 Pt1 Hg1D 90.0 5_756 1_545 ?
O2 Pt1 Hg1D 90.0 5_756 . ?
O2 Pt1 O2 180.0 . 5_756 ?
C2 O1 Pt1 121.9(3) . . ?
C4 O2 Pt1 122.6(3) . . ?
F4D C5D C4D 119.3(4) . . ?
F4D C5D C6D 121.2(4) . . ?
C4D C5D C6D 119.4(4) . . ?
F2D C3D C4D 120.4(7) . . ?
F2D C3D C2D 121.8(7) . . ?
C2D C3D C4D 117.8(7) . . ?
F3D C4D C5D 120.7(5) . . ?
F3D C4D C3D 119.1(5) . . ?
C5D C4D C3D 120.2(5) . . ?
O1 C2 C3 127.2(4) . . ?
O1 C2 C1 113.8(4) . . ?
C3 C2 C1 119.0(4) . . ?
C2D C1D Hg1D 121.6(3) . . ?
C2D C1D C6D 115.9(4) . . ?
C6D C1D Hg1D 122.6(3) . . ?
O2 C4 C3 125.0(4) . . ?
O2 C4 C5 114.6(4) . . ?
C3 C4 C5 120.4(3) . . ?
F1D C2D C3D 117.0(5) . . ?
F1D C2D C1D 119.1(4) . . ?
C1D C2D C3D 123.8(5) . . ?
C2 C3 C4 127.7(3) . . ?
C2 C3 H3 116.1 . . ?
C4 C3 H3 116.1 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
F5D C6D C5D 117.9(4) . . ?
F5D C6D C1D 119.3(4) . . ?
C5D C6D C1D 122.9(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
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
Hg1D Pt1 3.10510(10) . ?
Hg1D Pt1 3.10510(10) 1_565 ?
Hg1D C1D 2.065(4) 5_766 ?
Hg1D C1D 2.065(4) . ?
Pt1 O1 1.989(3) 5_756 ?
Pt1 O1 1.989(3) . ?
Pt1 O2 1.991(3) . ?
Pt1 O2 1.991(3) 5_756 ?
F1D C2D 1.356(5) . ?
F5D C6D 1.350(5) . ?
F2D C3D 1.333(9) . ?
O1 C2 1.271(5) . ?
F3D C4D 1.339(7) . ?
O2 C4 1.289(5) . ?
F4D C5D 1.346(5) . ?
C5D C4D 1.372(7) . ?
C5D C6D 1.375(7) . ?
C3D C4D 1.394(10) . ?
C3D C2D 1.386(10) . ?
C2 C3 1.385(7) . ?
C2 C1 1.518(6) . ?
C1D C2D 1.370(6) . ?
C1D C6D 1.387(6) . ?
C4 C3 1.409(6) . ?
C4 C5 1.489(6) . ?
C3 H3 0.9500 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
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
Hg1D C1D C2D F1D 0.000(1) . . . . ?
Hg1D C1D C2D C3D 180.000(2) . . . . ?
Hg1D C1D C6D F5D 0.000(1) . . . . ?
Hg1D C1D C6D C5D 180.000(1) . . . . ?
Pt1 O1 C2 C3 0.000(1) . . . . ?
Pt1 O1 C2 C1 180.000(1) . . . . ?
Pt1 O2 C4 C3 0.000(1) . . . . ?
Pt1 O2 C4 C5 180.000(0) . . . . ?
F2D C3D C4D F3D 0.000(2) . . . . ?
F2D C3D C4D C5D 180.000(3) . . . . ?
F2D C3D C2D F1D 0.000(3) . . . . ?
F2D C3D C2D C1D 180.000(3) . . . . ?
O1 C2 C3 C4 0.000(1) . . . . ?
O2 C4 C3 C2 0.000(1) . . . . ?
F4D C5D C4D F3D 0.000(2) . . . . ?
F4D C5D C4D C3D 180.000(2) . . . . ?
F4D C5D C6D F5D 0.000(1) . . . . ?
F4D C5D C6D C1D 180.000(1) . . . . ?
C4D C5D C6D F5D 180.000(1) . . . . ?
C4D C5D C6D C1D 0.000(2) . . . . ?
C4D C3D C2D F1D 180.000(2) . . . . ?
C4D C3D C2D C1D 0.000(2) . . . . ?
C2D C3D C4D F3D 180.000(3) . . . . ?
C2D C3D C4D C5D 0.000(3) . . . . ?
C2D C1D C6D F5D 180.000(1) . . . . ?
C2D C1D C6D C5D 0.000(1) . . . . ?
C1 C2 C3 C4 180.000(1) . . . . ?
C6D C5D C4D F3D 180.000(2) . . . . ?
C6D C5D C4D C3D 0.000(3) . . . . ?
C6D C1D C2D F1D 180.000(1) . . . . ?
C6D C1D C2D C3D 0.000(3) . . . . ?
C5 C4 C3 C2 180.000(1) . . . . ?
