#------------------------------------------------------------------------------
#$Date: 2019-05-16 15:43:53 +0300 (Thu, 16 May 2019) $
#$Revision: 215200 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/10/1551064.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_1551064
loop_
_publ_author_name
'Shomura, Kaoru'
'Mitsuhashi, Ryoji'
'Mikuriya, Masahiro'
'Kataoka, Yusuke'
'Handa, Makoto'
'Sakiyama, Hiroshi'
_publ_section_title
;
 Crystal Structure of a Mononuclear Iron(III) Complex,
 Hexakis(dimethylsulfoxide-κO)iron(III)
 Tris(hexafluoridophosphate)
;
_journal_issue                   0
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              31
_journal_paper_doi               10.2116/xraystruct.35.31
_journal_volume                  35
_journal_year                    2019
_chemical_formula_moiety         'C12 H36 Fe O6 S6, 3(F6 P)'
_chemical_formula_sum            'C12 H36 F18 Fe O6 P3 S6'
_chemical_formula_weight         959.53
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.598(8)
_cell_length_b                   11.598(8)
_cell_length_c                   25.367(18)
_cell_measurement_reflns_used    1246
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.83
_cell_measurement_theta_min      2.18
_cell_volume                     2955(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEXIII'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            6538
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.533
_diffrn_reflns_theta_min         2.181
_exptl_absorpt_coefficient_mu    0.933
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       block
_exptl_crystal_F_000             1455
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         1630
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0509
_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)+(0.0770P)²+1.8581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1565
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                996
_reflns_number_total             1630
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            35_31_1.txt
_cod_data_source_block           shelx
_cod_database_code               1551064
_shelx_shelxl_version_number     2014/7
_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_min   0.730
_shelx_estimated_absorpt_t_max   0.828
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Fe1 Fe 0.3333 0.6667 0.6667 0.0607(4) Uani 1 6 d S T P . .
O1 O 0.3561(2) 0.5366(2) 0.62273(11) 0.0722(7) Uani 0.918(3) 1 d D . P A 1
S1 S 0.24466(9) 0.40708(9) 0.59860(5) 0.0823(5) Uani 0.918(3) 1 d D . P A 1
C1 C 0.3102(10) 0.3959(9) 0.5383(2) 0.119(3) Uani 0.918(3) 1 d D . P A 1
H1A H 0.2496 0.3130 0.5217 0.179 Uiso 0.918(3) 1 calc R U P A 1
H1B H 0.3941 0.4002 0.5440 0.179 Uiso 0.918(3) 1 calc R U P A 1
H1C H 0.3230 0.4684 0.5161 0.179 Uiso 0.918(3) 1 calc R U P A 1
C2 C 0.2532(10) 0.2793(6) 0.6330(4) 0.114(4) Uani 0.918(3) 1 d D . P A 1
H2A H 0.1894 0.1945 0.6186 0.170 Uiso 0.918(3) 1 calc R U P A 1
H2B H 0.2337 0.2824 0.6696 0.170 Uiso 0.918(3) 1 calc R U P A 1
H2C H 0.3410 0.2914 0.6296 0.170 Uiso 0.918(3) 1 calc R U P A 1
O2 O 0.272(2) 0.510(2) 0.6221(8) 0.052(6) Uiso 0.082(3) 1 d D . P A 2
S2 S 0.3490(10) 0.4430(10) 0.6060(4) 0.067(4) Uiso 0.082(3) 1 d D . P A 2
C4 C 0.260(5) 0.282(3) 0.632(2) 0.057(19) Uiso 0.082(3) 1 d D . P A 2
H4A H 0.2352 0.2187 0.6037 0.085 Uiso 0.082(3) 1 calc R U P A 2
H4B H 0.1821 0.2707 0.6493 0.085 Uiso 0.082(3) 1 calc R U P A 2
H4C H 0.3154 0.2690 0.6565 0.085 Uiso 0.082(3) 1 calc R U P A 2
C3 C 0.324(6) 0.402(6) 0.5384(10) 0.049(13) Uiso 0.082(3) 1 d D . P A 2
H3A H 0.4020 0.4638 0.5190 0.073 Uiso 0.082(3) 1 calc R U P A 2
H3B H 0.2487 0.4076 0.5260 0.073 Uiso 0.082(3) 1 calc R U P A 2
H3C H 0.3083 0.3135 0.5334 0.073 Uiso 0.082(3) 1 calc R U P A 2
P1 P 0.0000 0.0000 0.5000 0.0748(6) Uani 1 6 d S T P . .
F1 F 0.1043(2) 0.1181(2) 0.46393(11) 0.1129(8) Uani 1 1 d . . . . .
P2 P 0.6667 0.3333 0.58554(7) 0.0859(5) Uani 1 3 d DS TU P . .
F2 F 0.6667 0.3333 0.6465(2) 0.158(3) Uani 0.815(3) 3 d DS TU P B 3
F3 F 0.6667 0.3333 0.5234(2) 0.133(2) Uani 0.815(3) 3 d DS TU P B 3
F4 F 0.753(2) 0.262(2) 0.5848(4) 0.123(5) Uani 0.2715(10) 1 d D U P B 3
F5 F 0.5333(16) 0.1895(13) 0.5846(3) 0.088(3) Uani 0.2715(10) 1 d D U P B 3
F6 F 0.580(2) 0.403(2) 0.5837(4) 0.118(4) Uani 0.2715(10) 1 d D U P B 3
F7 F 0.7980(16) 0.4735(15) 0.5839(4) 0.156(6) Uani 0.2715(10) 1 d D U P B 3
F8 F 0.677(2) 0.2287(15) 0.6234(3) 0.093(5) Uiso 0.127(3) 1 d D U P C 4
F9 F 0.656(2) 0.4390(16) 0.5517(5) 0.224(16) Uiso 0.127(3) 1 d D U P B 4
F11 F 0.781(3) 0.445(3) 0.5480(5) 0.112(14) Uiso 0.059(3) 1 d D U P D 5
F10 F 0.552(3) 0.221(3) 0.6213(4) 0.157(16) Uiso 0.059(3) 1 d D U P D 5
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
O2 Fe1 O2 180.0 15_556 3_565
O2 Fe1 O2 90.4(9) 15_556 2_665
O2 Fe1 O2 89.7(9) 3_565 2_665
O2 Fe1 O2 90.4(9) 15_556 .
O2 Fe1 O2 89.7(9) 3_565 .
O2 Fe1 O2 89.6(9) 2_665 .
O2 Fe1 O2 89.6(9) 15_556 14_456
O2 Fe1 O2 90.3(9) 3_565 14_456
O2 Fe1 O2 180.0 2_665 14_456
O2 Fe1 O2 90.4(9) . 14_456
O2 Fe1 O2 89.6(9) 15_556 13_566
O2 Fe1 O2 90.3(9) 3_565 13_566
O2 Fe1 O2 90.4(9) 2_665 13_566
O2 Fe1 O2 180.0 . 13_566
O2 Fe1 O2 89.6(9) 14_456 13_566
O1 Fe1 O1 180.0 3_565 15_556
O1 Fe1 O1 91.85(11) 3_565 2_665
O1 Fe1 O1 88.15(11) 15_556 2_665
O1 Fe1 O1 91.85(11) 3_565 .
O1 Fe1 O1 88.16(11) 15_556 .
O1 Fe1 O1 91.85(11) 2_665 .
O1 Fe1 O1 88.15(11) 3_565 14_456
O1 Fe1 O1 91.85(11) 15_556 14_456
O1 Fe1 O1 180.0 2_665 14_456
O1 Fe1 O1 88.15(11) . 14_456
O1 Fe1 O1 88.15(11) 3_565 13_566
O1 Fe1 O1 91.84(11) 15_556 13_566
O1 Fe1 O1 88.15(11) 2_665 13_566
O1 Fe1 O1 180.00(14) . 13_566
O1 Fe1 O1 91.84(11) 14_456 13_566
S1 O1 Fe1 126.68(15) . .
O1 S1 C1 103.7(3) . .
O1 S1 C2 104.6(4) . .
C1 S1 C2 99.3(4) . .
S1 C1 H1A 109.5 . .
S1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
S1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
S1 C2 H2A 109.5 . .
S1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
S1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
S2 O2 Fe1 127.3(15) . .
O2 S2 C4 106(2) . .
O2 S2 C3 110.0(17) . .
C4 S2 C3 98.5(18) . .
S2 C4 H4A 109.5 . .
S2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
S2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
S2 C3 H3A 109.5 . .
S2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
S2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
F1 P1 F1 180.0 11_556 2
F1 P1 F1 89.90(15) 11_556 .
F1 P1 F1 90.10(15) 2 .
F1 P1 F1 90.10(15) 11_556 10_556
F1 P1 F1 89.90(15) 2 10_556
F1 P1 F1 180.0 . 10_556
F1 P1 F1 90.10(15) 11_556 12_556
F1 P1 F1 89.90(15) 2 12_556
F1 P1 F1 89.90(15) . 12_556
F1 P1 F1 90.10(15) 10_556 12_556
F1 P1 F1 89.90(15) 11_556 3
F1 P1 F1 90.10(15) 2 3
F1 P1 F1 90.10(15) . 3
F1 P1 F1 89.90(15) 10_556 3
F1 P1 F1 180.0 12_556 3
F9 P2 F9 92.2(5) 2_655 .
F9 P2 F9 92.2(5) 2_655 3_665
F9 P2 F9 92.2(5) . 3_665
F2 P2 F6 91.7(3) . 2_655
F2 P2 F6 91.7(3) . 3_665
F6 P2 F6 119.92(4) 2_655 3_665
F2 P2 F6 91.7(3) . .
F6 P2 F6 119.92(5) 2_655 .
F6 P2 F6 119.92(4) 3_665 .
F2 P2 F3 180.0 . .
F6 P2 F3 88.3(3) 2_655 .
F6 P2 F3 88.3(3) 3_665 .
F6 P2 F3 88.3(3) . .
F2 P2 F7 91.5(4) . 2_655
F6 P2 F7 90.4(3) 2_655 2_655
F6 P2 F7 149.4(4) 3_665 2_655
F6 P2 F7 29.5(3) . 2_655
F3 P2 F7 88.5(4) . 2_655
F2 P2 F7 91.5(4) . .
F6 P2 F7 149.4(4) 2_655 .
F6 P2 F7 29.5(3) 3_665 .
F6 P2 F7 90.4(3) . .
F3 P2 F7 88.5(4) . .
F7 P2 F7 119.93(4) 2_655 .
F2 P2 F7 91.5(4) . 3_665
F6 P2 F7 29.5(3) 2_655 3_665
F6 P2 F7 90.4(3) 3_665 3_665
F6 P2 F7 149.4(4) . 3_665
F3 P2 F7 88.5(4) . 3_665
F7 P2 F7 119.93(5) 2_655 3_665
F7 P2 F7 119.93(4) . 3_665
F2 P2 F4 90.7(3) . .
F6 P2 F4 59.6(4) 2_655 .
F6 P2 F4 60.4(4) 3_665 .
F6 P2 F4 177.6(3) . .
F3 P2 F4 89.3(3) . .
F7 P2 F4 149.9(4) 2_655 .
F7 P2 F4 90.0(3) . .
F7 P2 F4 30.0(3) 3_665 .
F7 F4 F5 150.3(14) 3_665 2_655
F7 F4 F6 14.6(7) 3_665 2_655
F5 F4 F6 135.8(10) 2_655 2_655
F7 F4 P2 74.2(8) 3_665 .
F5 F4 P2 76.2(7) 2_655 .
F6 F4 P2 59.6(4) 2_655 .
F7 F4 F6 133.3(11) 3_665 3_665
F5 F4 F6 17.0(6) 2_655 3_665
F6 F4 F6 118.8(7) 2_655 3_665
P2 F4 F6 59.2(4) . 3_665
F6 F5 F4 145.6(13) 2_655 3_665
F6 F5 F7 13.1(7) 2_655 3_665
F4 F5 F7 132.5(10) 3_665 3_665
F6 F5 F7 130.9(10) 2_655 2_655
F4 F5 F7 14.7(7) 3_665 2_655
F7 F5 F7 117.9(7) 3_665 2_655
F6 F5 P2 72.3(7) 2_655 .
F4 F5 P2 73.3(7) 3_665 .
F7 F5 P2 59.2(4) 3_665 .
F7 F5 P2 58.7(4) 2_655 .
F7 F6 F5 153.5(14) 2_655 3_665
F7 F6 F4 14.9(8) 2_655 3_665
F5 F6 F4 138.6(9) 3_665 3_665
F7 F6 P2 75.7(8) 2_655 .
F5 F6 P2 77.8(7) 3_665 .
F4 F6 P2 60.8(4) 3_665 .
F7 F6 F4 136.1(11) 2_655 2_655
F5 F6 F4 17.4(6) 3_665 2_655
F4 F6 F4 121.2(6) 3_665 2_655
P2 F6 F4 60.4(4) . 2_655
F6 F7 F4 150.5(15) 3_665 2_655
F6 F7 P2 74.7(8) 3_665 .
F4 F7 P2 75.8(8) 2_655 .
F6 F7 F5 13.4(7) 3_665 2_655
F4 F7 F5 137.1(10) 2_655 2_655
P2 F7 F5 61.3(4) . 2_655
F6 F7 F5 135.5(11) 3_665 3_665
F4 F7 F5 15.1(7) 2_655 3_665
P2 F7 F5 60.8(4) . 3_665
F5 F7 F5 122.1(6) 2_655 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 O2 1.95(2) 15_556
Fe1 O2 1.95(2) 3_565
Fe1 O2 1.95(2) 2_665
Fe1 O2 1.95(2) .
Fe1 O2 1.95(2) 14_456
Fe1 O2 1.95(2) 13_566
Fe1 O1 1.996(2) 3_565
Fe1 O1 1.996(2) 15_556
Fe1 O1 1.996(2) 2_665
Fe1 O1 1.996(2) .
Fe1 O1 1.996(2) 14_456
Fe1 O1 1.996(2) 13_566
O1 S1 1.536(3) .
S1 C1 1.741(7) .
S1 C2 1.765(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
O2 S2 1.502(16) .
S2 C4 1.74(2) .
S2 C3 1.77(2) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
P1 F1 1.588(2) 11_556
P1 F1 1.588(2) 2
P1 F1 1.588(2) .
P1 F1 1.588(2) 10_556
P1 F1 1.588(2) 12_556
P1 F1 1.588(2) 3
P2 F2 1.546(6) .
P2 F9 1.549(13) 2_655
P2 F9 1.549(13) .
P2 F9 1.549(13) 3_665
P2 F6 1.570(8) 2_655
P2 F6 1.570(8) 3_665
P2 F6 1.570(8) .
P2 F3 1.576(5) .
P2 F7 1.577(9) 2_655
P2 F7 1.577(9) .
P2 F7 1.577(9) 3_665
P2 F4 1.589(8) .
F4 F7 0.820(11) 3_665
F4 F5 0.843(10) 2_655
F4 F6 1.569(12) 2_655
F4 F6 1.590(11) 3_665
F5 F6 0.822(10) 2_655
F5 F4 0.843(9) 3_665
F5 F7 1.581(11) 3_665
F5 F7 1.607(11) 2_655
F6 F7 0.802(11) 2_655
F6 F5 0.822(10) 3_665
F6 F4 1.569(12) 3_665
F6 F4 1.590(11) 2_655
F7 F6 0.802(11) 3_665
F7 F4 0.820(11) 2_655
F7 F5 1.581(11) 2_655
F7 F5 1.607(11) 3_665
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
Fe1 O1 S1 C1 144.2(3) . . . .
Fe1 O1 S1 C2 -112.1(4) . . . .
Fe1 O2 S2 C4 118(2) . . . .
Fe1 O2 S2 C3 -136(2) . . . .
F2 P2 F4 F7 91.8(8) . . . 3_665
F6 P2 F4 F7 0.3(5) 2_655 . . 3_665
F6 P2 F4 F7 -176.7(12) 3_665 . . 3_665
F3 P2 F4 F7 -88.2(8) . . . 3_665
F7 P2 F4 F7 -2.5(11) 2_655 . . 3_665
F7 P2 F4 F7 -176.7(11) . . . 3_665
F2 P2 F4 F5 -90.4(7) . . . 2_655
F6 P2 F4 F5 178.1(11) 2_655 . . 2_655
F6 P2 F4 F5 1.1(6) 3_665 . . 2_655
F3 P2 F4 F5 89.6(7) . . . 2_655
F7 P2 F4 F5 175.3(7) 2_655 . . 2_655
F7 P2 F4 F5 1.1(10) . . . 2_655
F7 P2 F4 F5 177.8(10) 3_665 . . 2_655
F2 P2 F4 F6 91.5(5) . . . 2_655
F6 P2 F4 F6 -177.0(10) 3_665 . . 2_655
F3 P2 F4 F6 -88.5(5) . . . 2_655
F7 P2 F4 F6 -2.8(14) 2_655 . . 2_655
F7 P2 F4 F6 -177.0(7) . . . 2_655
F7 P2 F4 F6 -0.3(5) 3_665 . . 2_655
F2 P2 F4 F6 -91.5(5) . . . 3_665
F6 P2 F4 F6 177.0(10) 2_655 . . 3_665
F3 P2 F4 F6 88.5(5) . . . 3_665
F7 P2 F4 F6 174.2(10) 2_655 . . 3_665
F7 P2 F4 F6 0.0(6) . . . 3_665
F7 P2 F4 F6 176.7(12) 3_665 . . 3_665
F2 P2 F5 F6 -91.9(8) . . . 2_655
F6 P2 F5 F6 2.9(9) 3_665 . . 2_655
F6 P2 F5 F6 176.4(11) . . . 2_655
F3 P2 F5 F6 88.1(8) . . . 2_655
F7 P2 F5 F6 176.8(12) 2_655 . . 2_655
F7 P2 F5 F6 -0.6(6) 3_665 . . 2_655
F4 P2 F5 F6 -1.2(10) . . . 2_655
F2 P2 F5 F4 90.0(8) . . . 3_665
F6 P2 F5 F4 -178.1(10) 2_655 . . 3_665
F6 P2 F5 F4 -175.2(7) 3_665 . . 3_665
F6 P2 F5 F4 -1.7(10) . . . 3_665
F3 P2 F5 F4 -90.0(8) . . . 3_665
F7 P2 F5 F4 -1.3(6) 2_655 . . 3_665
F7 P2 F5 F4 -178.7(12) 3_665 . . 3_665
F4 P2 F5 F4 -179.3(11) . . . 3_665
F2 P2 F5 F7 -91.3(5) . . . 3_665
F6 P2 F5 F7 0.6(6) 2_655 . . 3_665
F6 P2 F5 F7 3.5(11) 3_665 . . 3_665
F6 P2 F5 F7 177.0(7) . . . 3_665
F3 P2 F5 F7 88.7(5) . . . 3_665
F7 P2 F5 F7 177.4(10) 2_655 . . 3_665
F4 P2 F5 F7 -0.6(5) . . . 3_665
F2 P2 F5 F7 91.3(5) . . . 2_655
F6 P2 F5 F7 -176.8(12) 2_655 . . 2_655
F6 P2 F5 F7 -173.9(9) 3_665 . . 2_655
F6 P2 F5 F7 -0.4(5) . . . 2_655
F3 P2 F5 F7 -88.7(5) . . . 2_655
F7 P2 F5 F7 -177.4(10) 3_665 . . 2_655
F4 P2 F5 F7 -178.0(7) . . . 2_655
F2 P2 F6 F7 -90.2(8) . . . 2_655
F6 P2 F6 F7 2.7(12) 2_655 . . 2_655
F6 P2 F6 F7 176.9(8) 3_665 . . 2_655
F3 P2 F6 F7 89.8(8) . . . 2_655
F7 P2 F6 F7 178.3(11) . . . 2_655
F7 P2 F6 F7 5.7(12) 3_665 . . 2_655
F2 P2 F6 F5 88.8(7) . . . 3_665
F6 P2 F6 F5 -178.3(5) 2_655 . . 3_665
F6 P2 F6 F5 -4.1(12) 3_665 . . 3_665
F3 P2 F6 F5 -91.2(7) . . . 3_665
F7 P2 F6 F5 178.9(11) 2_655 . . 3_665
F7 P2 F6 F5 -2.8(10) . . . 3_665
F7 P2 F6 F5 -175.4(6) 3_665 . . 3_665
F2 P2 F6 F4 -89.9(5) . . . 3_665
F6 P2 F6 F4 3.0(10) 2_655 . . 3_665
F6 P2 F6 F4 177.2(4) 3_665 . . 3_665
F3 P2 F6 F4 90.1(5) . . . 3_665
F7 P2 F6 F4 0.3(6) 2_655 . . 3_665
F7 P2 F6 F4 178.6(7) . . . 3_665
F7 P2 F6 F4 6.0(13) 3_665 . . 3_665
F2 P2 F6 F4 89.9(5) . . . 2_655
F6 P2 F6 F4 -177.2(4) 2_655 . . 2_655
F6 P2 F6 F4 -3.0(10) 3_665 . . 2_655
F3 P2 F6 F4 -90.1(5) . . . 2_655
F7 P2 F6 F4 -180.0(12) 2_655 . . 2_655
F7 P2 F6 F4 -1.7(6) . . . 2_655
F7 P2 F6 F4 -174.3(10) 3_665 . . 2_655
F2 P2 F7 F6 90.7(8) . . . 3_665
F6 P2 F7 F6 -5.2(13) 2_655 . . 3_665
F6 P2 F7 F6 -177.6(10) . . . 3_665
F3 P2 F7 F6 -89.3(8) . . . 3_665
F7 P2 F7 F6 -176.7(7) 2_655 . . 3_665
F7 P2 F7 F6 -2.0(13) 3_665 . . 3_665
F4 P2 F7 F6 0.0(11) . . . 3_665
F2 P2 F7 F4 -88.8(7) . . . 2_655
F6 P2 F7 F4 175.3(6) 2_655 . . 2_655
F6 P2 F7 F4 -179.5(10) 3_665 . . 2_655
F6 P2 F7 F4 2.9(10) . . . 2_655
F3 P2 F7 F4 91.2(7) . . . 2_655
F7 P2 F7 F4 3.9(12) 2_655 . . 2_655
F7 P2 F7 F4 178.5(7) 3_665 . . 2_655
F4 P2 F7 F4 -179.5(10) . . . 2_655
F2 P2 F7 F5 90.1(4) . . . 2_655
F6 P2 F7 F5 -5.8(13) 2_655 . . 2_655
F6 P2 F7 F5 -0.6(6) 3_665 . . 2_655
F6 P2 F7 F5 -178.2(5) . . . 2_655
F3 P2 F7 F5 -89.9(4) . . . 2_655
F7 P2 F7 F5 -177.3(4) 2_655 . . 2_655
F7 P2 F7 F5 -2.6(10) 3_665 . . 2_655
F4 P2 F7 F5 -0.7(6) . . . 2_655
F2 P2 F7 F5 -90.1(4) . . . 3_665
F6 P2 F7 F5 174.0(9) 2_655 . . 3_665
F6 P2 F7 F5 179.2(11) 3_665 . . 3_665
F6 P2 F7 F5 1.6(6) . . . 3_665
F3 P2 F7 F5 89.9(4) . . . 3_665
F7 P2 F7 F5 2.6(10) 2_655 . . 3_665
F7 P2 F7 F5 177.2(4) 3_665 . . 3_665
F4 P2 F7 F5 179.2(5) . . . 3_665
