#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:31:46 +0100 (vie 25 de mar de 2016) $
#$Revision: 179849 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/45/7014548.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_7014548
loop_
_publ_author_name
'Ye, Hong-De'
'Ding, Guan-Yu'
'Xie, Ming-Shi'
'Li, Yi-Zhi'
'Yan, Hong'
_publ_section_title
;
 Reactivity of the 16e Cp*Co half-sandwich complex containing a
 chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards
 alkynes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2306
_journal_page_last               2313
_journal_paper_doi               10.1039/c0dt00933d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C38 H45 B10 Co Fe2 O2 S2'
_chemical_formula_sum            'C38 H45 B10 Co Fe2 O2 S2'
_chemical_formula_weight         876.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.886(3)
_cell_angle_beta                 115.027(2)
_cell_angle_gamma                99.529(3)
_cell_formula_units_Z            2
_cell_length_a                   12.229(3)
_cell_length_b                   13.2583(19)
_cell_length_c                   14.151(3)
_cell_measurement_reflns_used    2269
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.19
_cell_measurement_theta_min      2.40
_cell_volume                     1984.5(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXL (Sheldrick, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10677
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    1.275
_exptl_absorpt_correction_T_max  0.7495
_exptl_absorpt_correction_T_min  0.6933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         7593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0746P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1496
_refine_ls_wR_factor_ref         0.1549
_reflns_number_gt                5195
_reflns_number_total             7593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00933D.TXT
_cod_data_source_block           COMPLEX-6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014548
loop_
_symmetry_equiv_pos_as_xyz
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B3 B 0.4791(5) 0.6030(4) 0.3265(4) 0.0403(11) Uani 1 1 d . . .
H3A H 0.4514 0.6443 0.3698 0.048 Uiso 1 1 d R . .
B4 B 0.6307(5) 0.5767(4) 0.3833(5) 0.0413(12) Uani 1 1 d . . .
H4A H 0.6864 0.6033 0.4590 0.050 Uiso 1 1 d R . .
B5 B 0.6890(6) 0.5748(4) 0.2861(5) 0.0433(12) Uani 1 1 d . . .
H5A H 0.7765 0.5999 0.3078 0.052 Uiso 1 1 d R . .
B6 B 0.5723(5) 0.5992(4) 0.1694(4) 0.0421(12) Uani 1 1 d . . .
H6A H 0.5966 0.6387 0.1269 0.051 Uiso 1 1 d R . .
B7 B 0.4380(5) 0.4960(4) 0.1165(5) 0.0405(11) Uani 1 1 d . . .
H7A H 0.3805 0.4744 0.0410 0.049 Uiso 1 1 d R . .
B8 B 0.3813(5) 0.4979(4) 0.2151(4) 0.0419(12) Uani 1 1 d . . .
H8A H 0.2932 0.4779 0.1927 0.050 Uiso 1 1 d R . .
B9 B 0.4923(5) 0.4738(4) 0.3306(5) 0.0435(12) Uani 1 1 d . . .
H9A H 0.4694 0.4368 0.3754 0.052 Uiso 1 1 d R . .
B10 B 0.6218(6) 0.4542(4) 0.3059(5) 0.0463(13) Uani 1 1 d . . .
H10A H 0.6701 0.4070 0.3371 0.056 Uiso 1 1 d R . .
B11 B 0.5858(6) 0.4696(4) 0.1723(5) 0.0461(13) Uani 1 1 d . . .
H11A H 0.6136 0.4311 0.1273 0.055 Uiso 1 1 d R . .
B12 B 0.4638(6) 0.4067(5) 0.1989(5) 0.0482(13) Uani 1 1 d . . .
H12A H 0.4241 0.3325 0.1696 0.058 Uiso 1 1 d R . .
C1 C 0.5964(4) 0.6544(4) 0.2965(4) 0.0391(10) Uani 1 1 d . . .
C2 C 0.4544(4) 0.6122(3) 0.1978(4) 0.0390(10) Uani 1 1 d . . .
C3 C 0.3097(4) 0.8929(3) 0.2939(4) 0.0387(10) Uani 1 1 d . . .
C4 C 0.4392(4) 0.8761(4) 0.3305(4) 0.0376(10) Uani 1 1 d . . .
C5 C 0.4932(4) 0.8755(4) 0.4362(4) 0.0396(10) Uani 1 1 d . . .
H5 H 0.4429 0.8795 0.4702 0.048 Uiso 1 1 calc R . .
C6 C 0.6182(4) 0.8693(3) 0.5027(3) 0.0369(10) Uani 1 1 d . . .
H6 H 0.6488 0.8937 0.5767 0.044 Uiso 1 1 calc R . .
C7 C 0.6961(4) 0.8321(3) 0.4696(4) 0.0393(10) Uani 1 1 d . . .
C8 C 0.8306(4) 0.8388(4) 0.5475(4) 0.0403(10) Uani 1 1 d . . .
C9 C 0.2214(4) 0.8311(4) 0.3242(4) 0.0395(10) Uani 1 1 d . . .
C10 C 0.1203(4) 0.8701(4) 0.3316(4) 0.0414(10) Uani 1 1 d . . .
H10 H 0.1029 0.9341 0.3202 0.050 Uiso 1 1 calc R . .
C11 C 0.0534(5) 0.7930(4) 0.3594(4) 0.0441(11) Uani 1 1 d . . .
H11 H -0.0147 0.7984 0.3715 0.053 Uiso 1 1 calc R . .
C12 C 0.1078(5) 0.7049(4) 0.3660(4) 0.0447(11) Uani 1 1 d . . .
H12 H 0.0798 0.6427 0.3810 0.054 Uiso 1 1 calc R . .
C13 C 0.2132(5) 0.7294(4) 0.3453(4) 0.0432(11) Uani 1 1 d . . .
H13 H 0.2663 0.6866 0.3456 0.052 Uiso 1 1 calc R . .
C14 C 0.0442(5) 0.7327(4) 0.0701(4) 0.0506(12) Uani 1 1 d . . .
H14 H 0.1053 0.7709 0.0573 0.061 Uiso 1 1 calc R . .
C15 C -0.0575(5) 0.7691(4) 0.0774(4) 0.0535(13) Uani 1 1 d . . .
H15 H -0.0744 0.8342 0.0704 0.064 Uiso 1 1 calc R . .
C16 C -0.1273(5) 0.6843(4) 0.0977(4) 0.0568(14) Uani 1 1 d . . .
H16 H -0.1988 0.6855 0.1056 0.068 Uiso 1 1 calc R . .
C17 C -0.0709(5) 0.5983(4) 0.1037(5) 0.0577(14) Uani 1 1 d . . .
H17 H -0.0974 0.5344 0.1167 0.069 Uiso 1 1 calc R . .
C18 C 0.0357(5) 0.6305(4) 0.0855(4) 0.0531(13) Uani 1 1 d . . .
H18 H 0.0902 0.5897 0.0843 0.064 Uiso 1 1 calc R . .
C19 C 0.8569(4) 0.8340(4) 0.6591(4) 0.0430(11) Uani 1 1 d . . .
C20 C 0.7802(5) 0.7791(4) 0.6975(4) 0.0455(11) Uani 1 1 d . . .
H20 H 0.6987 0.7378 0.6557 0.055 Uiso 1 1 calc R . .
C21 C 0.8497(5) 0.7986(4) 0.8094(4) 0.0504(12) Uani 1 1 d . . .
H21 H 0.8217 0.7711 0.8541 0.060 Uiso 1 1 calc R . .
C22 C 0.9661(5) 0.8646(4) 0.8433(4) 0.0520(13) Uani 1 1 d . . .
H22 H 1.0279 0.8904 0.9144 0.062 Uiso 1 1 calc R . .
C23 C 0.9761(5) 0.8877(4) 0.7477(4) 0.0541(13) Uani 1 1 d . . .
H23 H 1.0447 0.9281 0.7459 0.065 Uiso 1 1 calc R . .
C24 C 0.9595(5) 0.6233(4) 0.6302(4) 0.0524(13) Uani 1 1 d . . .
H24 H 0.9384 0.6223 0.5587 0.063 Uiso 1 1 calc R . .
C25 C 0.8801(5) 0.5711(4) 0.6659(4) 0.0540(13) Uani 1 1 d . . .
H25 H 0.7978 0.5314 0.6246 0.065 Uiso 1 1 calc R . .
C26 C 0.9558(5) 0.5933(4) 0.7826(4) 0.0489(12) Uani 1 1 d . . .
H26 H 0.9294 0.5658 0.8282 0.059 Uiso 1 1 calc R . .
C27 C 1.0739(5) 0.6618(4) 0.8170(4) 0.0461(11) Uani 1 1 d . . .
H27 H 1.1363 0.6906 0.8875 0.055 Uiso 1 1 calc R . .
C28 C 1.0775(5) 0.6778(4) 0.7200(4) 0.0488(12) Uani 1 1 d . . .
H28 H 1.1454 0.7171 0.7164 0.059 Uiso 1 1 calc R . .
C29 C 0.6351(5) 0.9196(4) 0.1694(4) 0.0412(10) Uani 1 1 d . . .
C30 C 0.6450(4) 1.0003(4) 0.2583(4) 0.0400(10) Uani 1 1 d . . .
C31 C 0.5321(5) 1.0254(4) 0.2277(4) 0.0436(11) Uani 1 1 d . . .
C32 C 0.4420(5) 0.9558(4) 0.1240(4) 0.0415(10) Uani 1 1 d . . .
C33 C 0.5118(5) 0.8947(4) 0.0876(4) 0.0429(11) Uani 1 1 d . . .
C34 C 0.7406(5) 0.8802(4) 0.1622(4) 0.0464(11) Uani 1 1 d . . .
H34A H 0.7084 0.8101 0.1158 0.070 Uiso 1 1 calc R . .
H34B H 0.8004 0.8791 0.2327 0.070 Uiso 1 1 calc R . .
H34C H 0.7805 0.9264 0.1335 0.070 Uiso 1 1 calc R . .
C35 C 0.7687(5) 1.0519(4) 0.3595(4) 0.0584(15) Uani 1 1 d . . .
H35A H 0.8125 1.1124 0.3484 0.088 Uiso 1 1 calc R . .
H35B H 0.8186 1.0021 0.3743 0.088 Uiso 1 1 calc R . .
H35C H 0.7528 1.0738 0.4193 0.088 Uiso 1 1 calc R . .
C36 C 0.5084(4) 1.1176(3) 0.2860(4) 0.0413(10) Uani 1 1 d . . .
H36A H 0.5425 1.1192 0.3612 0.062 Uiso 1 1 calc R . .
H36B H 0.4201 1.1104 0.2566 0.062 Uiso 1 1 calc R . .
H36C H 0.5477 1.1821 0.2774 0.062 Uiso 1 1 calc R . .
C37 C 0.3126(5) 0.9617(4) 0.0532(4) 0.0491(12) Uani 1 1 d . . .
H37A H 0.2704 0.9740 0.0960 0.074 Uiso 1 1 calc R . .
H37B H 0.2676 0.8963 -0.0010 0.074 Uiso 1 1 calc R . .
H37C H 0.3168 1.0186 0.0193 0.074 Uiso 1 1 calc R . .
C38 C 0.4565(5) 0.8188(4) -0.0212(4) 0.0468(12) Uani 1 1 d . . .
H38A H 0.5178 0.7843 -0.0260 0.070 Uiso 1 1 calc R . .
H38B H 0.4311 0.8567 -0.0762 0.070 Uiso 1 1 calc R . .
H38C H 0.3853 0.7668 -0.0311 0.070 Uiso 1 1 calc R . .
Co1 Co 0.51289(6) 0.86516(4) 0.23398(5) 0.03374(16) Uani 1 1 d . . .
Fe1 Fe 0.05413(6) 0.73292(5) 0.21665(6) 0.04153(18) Uani 1 1 d . . .
Fe2 Fe 0.93824(7) 0.73010(6) 0.73565(6) 0.0518(2) Uani 1 1 d . . .
O1 O 0.2773(3) 0.9607(3) 0.2447(3) 0.0415(7) Uani 1 1 d . . .
O2 O 0.9081(3) 0.8520(3) 0.5177(3) 0.0430(8) Uani 1 1 d . . .
S1 S 0.65915(10) 0.79640(8) 0.33306(9) 0.0356(2) Uani 1 1 d . . .
S2 S 0.37063(11) 0.70691(9) 0.14634(10) 0.0419(3) Uani 1 1 d . . .
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'
B B 0.0013 0.0007 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
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
C1 B3 B8 103.7(4) . . ?
C1 B3 C2 56.1(3) . . ?
B8 B3 C2 59.6(3) . . ?
C1 B3 B9 103.2(4) . . ?
B8 B3 B9 59.9(3) . . ?
C2 B3 B9 105.2(4) . . ?
C1 B3 B4 57.0(3) . . ?
B8 B3 B4 106.8(4) . . ?
C2 B3 B4 102.9(4) . . ?
B9 B3 B4 59.7(3) . . ?
C1 B3 H3A 123.9 . . ?
B8 B3 H3A 124.4 . . ?
C2 B3 H3A 124.7 . . ?
B9 B3 H3A 124.1 . . ?
B4 B3 H3A 121.9 . . ?
C1 B4 B9 104.3(4) . . ?
C1 B4 B10 104.8(4) . . ?
B9 B4 B10 61.4(3) . . ?
C1 B4 B5 58.5(3) . . ?
B9 B4 B5 109.2(4) . . ?
B10 B4 B5 60.3(3) . . ?
C1 B4 B3 59.2(3) . . ?
B9 B4 B3 58.9(3) . . ?
B10 B4 B3 108.6(4) . . ?
B5 B4 B3 108.7(4) . . ?
C1 B4 H4A 123.3 . . ?
B9 B4 H4A 123.3 . . ?
B10 B4 H4A 123.4 . . ?
B5 B4 H4A 120.7 . . ?
B3 B4 H4A 120.4 . . ?
C1 B5 B11 103.8(4) . . ?
C1 B5 B6 58.7(3) . . ?
B11 B5 B6 59.2(3) . . ?
C1 B5 B10 103.1(4) . . ?
B11 B5 B10 60.9(3) . . ?
B6 B5 B10 107.6(4) . . ?
C1 B5 B4 57.5(3) . . ?
B11 B5 B4 107.6(4) . . ?
B6 B5 B4 106.9(4) . . ?
B10 B5 B4 59.2(3) . . ?
C1 B5 H5A 124.1 . . ?
B11 B5 H5A 123.9 . . ?
B6 B5 H5A 121.7 . . ?
B10 B5 H5A 123.7 . . ?
B4 B5 H5A 121.4 . . ?
C2 B6 C1 57.5(3) . . ?
C2 B6 B7 59.6(3) . . ?
C1 B6 B7 104.7(4) . . ?
C2 B6 B11 106.3(4) . . ?
C1 B6 B11 104.0(4) . . ?
B7 B6 B11 60.4(3) . . ?
C2 B6 B5 106.0(4) . . ?
C1 B6 B5 58.3(3) . . ?
B7 B6 B5 108.6(4) . . ?
B11 B6 B5 59.9(3) . . ?
C2 B6 H6A 123.8 . . ?
C1 B6 H6A 123.3 . . ?
B7 B6 H6A 124.0 . . ?
B11 B6 H6A 123.5 . . ?
B5 B6 H6A 119.9 . . ?
C2 B7 B6 58.4(3) . . ?
C2 B7 B12 105.1(4) . . ?
B6 B7 B12 109.0(4) . . ?
C2 B7 B11 105.3(4) . . ?
B6 B7 B11 60.2(3) . . ?
B12 B7 B11 61.3(3) . . ?
C2 B7 B8 59.3(3) . . ?
B6 B7 B8 107.8(4) . . ?
B12 B7 B8 58.7(3) . . ?
B11 B7 B8 107.9(4) . . ?
C2 B7 H7A 122.8 . . ?
B6 B7 H7A 121.9 . . ?
B12 B7 H7A 122.5 . . ?
B11 B7 H7A 123.7 . . ?
B8 B7 H7A 120.4 . . ?
C2 B8 B3 60.2(3) . . ?
C2 B8 B9 106.0(4) . . ?
B3 B8 B9 60.5(3) . . ?
C2 B8 B12 104.4(4) . . ?
B3 B8 B12 110.1(4) . . ?
B9 B8 B12 61.9(3) . . ?
C2 B8 B7 57.5(3) . . ?
B3 B8 B7 108.9(4) . . ?
B9 B8 B7 109.1(4) . . ?
B12 B8 B7 59.5(3) . . ?
C2 B8 H8A 123.0 . . ?
B3 B8 H8A 120.3 . . ?
B9 B8 H8A 123.1 . . ?
B12 B8 H8A 122.5 . . ?
B7 B8 H8A 120.4 . . ?
B8 B9 B3 59.7(3) . . ?
B8 B9 B4 108.0(4) . . ?
B3 B9 B4 61.5(3) . . ?
B8 B9 B12 59.1(3) . . ?
B3 B9 B12 107.3(4) . . ?
B4 B9 B12 107.0(4) . . ?
B8 B9 B10 107.7(4) . . ?
B3 B9 B10 109.0(4) . . ?
B4 B9 B10 59.4(3) . . ?
B12 B9 B10 60.0(3) . . ?
B8 B9 H9A 122.2 . . ?
B3 B9 H9A 122.2 . . ?
B4 B9 H9A 122.4 . . ?
B12 B9 H9A 121.5 . . ?
B10 B9 H9A 120.8 . . ?
B4 B10 B5 60.5(3) . . ?
B4 B10 B12 106.5(4) . . ?
B5 B10 B12 106.7(4) . . ?
B4 B10 B11 107.1(4) . . ?
B5 B10 B11 59.0(3) . . ?
B12 B10 B11 59.7(3) . . ?
B4 B10 B9 59.3(3) . . ?
B5 B10 B9 107.7(4) . . ?
B12 B10 B9 59.6(3) . . ?
B11 B10 B9 107.4(4) . . ?
B4 B10 H10A 122.6 . . ?
B5 B10 H10A 122.6 . . ?
B12 B10 H10A 122.1 . . ?
B11 B10 H10A 122.4 . . ?
B9 B10 H10A 121.6 . . ?
B6 B11 B7 59.3(3) . . ?
B6 B11 B5 60.8(3) . . ?
B7 B11 B5 108.4(4) . . ?
B6 B11 B12 106.7(4) . . ?
B7 B11 B12 59.3(3) . . ?
B5 B11 B12 107.9(4) . . ?
B6 B11 B10 108.3(4) . . ?
B7 B11 B10 107.9(4) . . ?
B5 B11 B10 60.1(3) . . ?
B12 B11 B10 60.1(3) . . ?
B6 B11 H11A 121.8 . . ?
B7 B11 H11A 120.7 . . ?
B5 B11 H11A 122.3 . . ?
B12 B11 H11A 121.8 . . ?
B10 B11 H11A 122.3 . . ?
B8 B12 B7 61.7(3) . . ?
B8 B12 B9 59.1(3) . . ?
B7 B12 B9 108.7(4) . . ?
B8 B12 B11 108.7(4) . . ?
B7 B12 B11 59.4(3) . . ?
B9 B12 B11 108.4(4) . . ?
B8 B12 B10 107.9(4) . . ?
B7 B12 B10 108.1(4) . . ?
B9 B12 B10 60.4(3) . . ?
B11 B12 B10 60.2(3) . . ?
B8 B12 H12A 121.7 . . ?
B7 B12 H12A 121.4 . . ?
B9 B12 H12A 121.7 . . ?
B11 B12 H12A 121.4 . . ?
B10 B12 H12A 121.3 . . ?
C2 C1 B4 113.4(4) . . ?
C2 C1 B5 112.1(4) . . ?
B4 C1 B5 64.0(3) . . ?
C2 C1 B6 60.2(3) . . ?
B4 C1 B6 115.7(4) . . ?
B5 C1 B6 63.0(3) . . ?
C2 C1 B3 62.4(3) . . ?
B4 C1 B3 63.7(3) . . ?
B5 C1 B3 116.9(4) . . ?
B6 C1 B3 114.6(4) . . ?
C2 C1 S1 114.2(3) . . ?
B4 C1 S1 124.9(3) . . ?
B5 C1 S1 118.7(3) . . ?
B6 C1 S1 111.1(3) . . ?
B3 C1 S1 119.1(3) . . ?
C1 C2 B6 62.3(3) . . ?
C1 C2 B7 110.3(4) . . ?
B6 C2 B7 62.0(3) . . ?
C1 C2 B8 108.2(4) . . ?
B6 C2 B8 113.9(4) . . ?
B7 C2 B8 63.2(3) . . ?
C1 C2 B3 61.4(3) . . ?
B6 C2 B3 115.4(4) . . ?
B7 C2 B3 113.5(4) . . ?
B8 C2 B3 60.1(3) . . ?
C1 C2 S2 119.1(3) . . ?
B6 C2 S2 117.6(3) . . ?
B7 C2 S2 122.0(3) . . ?
B8 C2 S2 121.4(3) . . ?
B3 C2 S2 115.6(3) . . ?
O1 C3 C9 118.9(4) . . ?
O1 C3 C4 121.7(4) . . ?
C9 C3 C4 119.3(4) . . ?
C5 C4 C3 111.6(4) . . ?
C5 C4 Co1 127.3(4) . . ?
C3 C4 Co1 121.1(3) . . ?
C4 C5 C6 128.5(5) . . ?
C4 C5 H5 115.7 . . ?
C6 C5 H5 115.7 . . ?
C7 C6 C5 127.4(4) . . ?
C7 C6 H6 116.3 . . ?
C5 C6 H6 116.3 . . ?
C6 C7 C8 122.3(4) . . ?
C6 C7 S1 121.9(3) . . ?
C8 C7 S1 114.8(3) . . ?
O2 C8 C19 124.2(4) . . ?
O2 C8 C7 118.9(4) . . ?
C19 C8 C7 116.8(4) . . ?
C13 C9 C10 108.4(4) . . ?
C13 C9 C3 130.0(4) . . ?
C10 C9 C3 121.5(4) . . ?
C13 C9 Fe1 70.3(3) . . ?
C10 C9 Fe1 69.2(3) . . ?
C3 C9 Fe1 123.9(3) . . ?
C11 C10 C9 107.4(4) . . ?
C11 C10 Fe1 71.1(3) . . ?
C9 C10 Fe1 68.7(3) . . ?
C11 C10 H10 126.3 . . ?
C9 C10 H10 126.3 . . ?
Fe1 C10 H10 125.5 . . ?
C10 C11 C12 108.7(4) . . ?
C10 C11 Fe1 68.5(3) . . ?
C12 C11 Fe1 69.1(3) . . ?
C10 C11 H11 125.7 . . ?
C12 C11 H11 125.7 . . ?
Fe1 C11 H11 128.4 . . ?
C11 C12 C13 108.1(4) . . ?
C11 C12 Fe1 70.1(3) . . ?
C13 C12 Fe1 69.2(3) . . ?
C11 C12 H12 126.0 . . ?
C13 C12 H12 126.0 . . ?
Fe1 C12 H12 126.4 . . ?
C9 C13 C12 107.4(4) . . ?
C9 C13 Fe1 68.6(3) . . ?
C12 C13 Fe1 69.6(3) . . ?
C9 C13 H13 126.3 . . ?
C12 C13 H13 126.3 . . ?
Fe1 C13 H13 127.0 . . ?
C18 C14 C15 108.7(5) . . ?
C18 C14 Fe1 69.8(3) . . ?
C15 C14 Fe1 70.3(3) . . ?
C18 C14 H14 125.6 . . ?
C15 C14 H14 125.6 . . ?
Fe1 C14 H14 125.8 . . ?
C16 C15 C14 106.0(5) . . ?
C16 C15 Fe1 69.5(3) . . ?
C14 C15 Fe1 68.3(3) . . ?
C16 C15 H15 127.0 . . ?
C14 C15 H15 127.0 . . ?
Fe1 C15 H15 126.8 . . ?
C17 C16 C15 109.9(5) . . ?
C17 C16 Fe1 69.9(3) . . ?
C15 C16 Fe1 69.5(3) . . ?
C17 C16 H16 125.0 . . ?
C15 C16 H16 125.0 . . ?
Fe1 C16 H16 127.1 . . ?
C16 C17 C18 106.0(5) . . ?
C16 C17 Fe1 69.6(3) . . ?
C18 C17 Fe1 68.2(3) . . ?
C16 C17 H17 127.0 . . ?
C18 C17 H17 127.0 . . ?
Fe1 C17 H17 126.8 . . ?
C14 C18 C17 109.4(5) . . ?
C14 C18 Fe1 69.7(3) . . ?
C17 C18 Fe1 70.4(3) . . ?
C14 C18 H18 125.3 . . ?
C17 C18 H18 125.3 . . ?
Fe1 C18 H18 126.1 . . ?
C20 C19 C23 109.3(4) . . ?
C20 C19 C8 130.2(4) . . ?
C23 C19 C8 120.5(4) . . ?
C20 C19 Fe2 69.6(3) . . ?
C23 C19 Fe2 69.8(3) . . ?
C8 C19 Fe2 125.5(4) . . ?
C21 C20 C19 107.7(5) . . ?
C21 C20 Fe2 69.6(3) . . ?
C19 C20 Fe2 69.1(3) . . ?
C21 C20 H20 126.1 . . ?
C19 C20 H20 126.1 . . ?
Fe2 C20 H20 126.8 . . ?
C22 C21 C20 109.8(5) . . ?
C22 C21 Fe2 70.7(3) . . ?
C20 C21 Fe2 69.9(3) . . ?
C22 C21 H21 125.1 . . ?
C20 C21 H21 125.1 . . ?
Fe2 C21 H21 125.8 . . ?
C21 C22 C23 108.6(4) . . ?
C21 C22 Fe2 69.5(3) . . ?
C23 C22 Fe2 68.4(3) . . ?
C21 C22 H22 125.7 . . ?
C23 C22 H22 125.7 . . ?
Fe2 C22 H22 128.1 . . ?
C19 C23 C22 104.5(5) . . ?
C19 C23 Fe2 68.9(3) . . ?
C22 C23 Fe2 68.9(3) . . ?
C19 C23 H23 127.7 . . ?
C22 C23 H23 127.7 . . ?
Fe2 C23 H23 126.1 . . ?
C25 C24 C28 109.9(5) . . ?
C25 C24 Fe2 70.6(3) . . ?
C28 C24 Fe2 69.3(3) . . ?
C25 C24 H24 125.1 . . ?
C28 C24 H24 125.1 . . ?
Fe2 C24 H24 126.6 . . ?
C24 C25 C26 104.6(5) . . ?
C24 C25 Fe2 69.0(3) . . ?
C26 C25 Fe2 68.7(3) . . ?
C24 C25 H25 127.7 . . ?
C26 C25 H25 127.7 . . ?
Fe2 C25 H25 126.2 . . ?
C27 C26 C25 111.3(5) . . ?
C27 C26 Fe2 69.2(3) . . ?
C25 C26 Fe2 69.3(3) . . ?
C27 C26 H26 124.3 . . ?
C25 C26 H26 124.3 . . ?
Fe2 C26 H26 128.8 . . ?
C26 C27 C28 105.3(5) . . ?
C26 C27 Fe2 70.2(3) . . ?
C28 C27 Fe2 69.1(3) . . ?
C26 C27 H27 127.3 . . ?
C28 C27 H27 127.3 . . ?
Fe2 C27 H27 124.9 . . ?
C24 C28 C27 108.7(5) . . ?
C24 C28 Fe2 69.4(3) . . ?
C27 C28 Fe2 69.3(3) . . ?
C24 C28 H28 125.7 . . ?
C27 C28 H28 125.7 . . ?
Fe2 C28 H28 127.3 . . ?
C33 C29 C30 107.0(4) . . ?
C33 C29 C34 126.3(4) . . ?
C30 C29 C34 126.4(4) . . ?
C33 C29 Co1 71.7(3) . . ?
C30 C29 Co1 67.3(2) . . ?
C34 C29 Co1 131.1(3) . . ?
C31 C30 C29 108.6(4) . . ?
C31 C30 C35 129.0(5) . . ?
C29 C30 C35 122.0(5) . . ?
C31 C30 Co1 72.4(3) . . ?
C29 C30 Co1 72.0(2) . . ?
C35 C30 Co1 126.8(3) . . ?
C30 C31 C32 109.1(4) . . ?
C30 C31 C36 125.8(4) . . ?
C32 C31 C36 124.8(5) . . ?
C30 C31 Co1 69.3(3) . . ?
C32 C31 Co1 69.1(3) . . ?
C36 C31 Co1 132.7(3) . . ?
C31 C32 C33 106.0(4) . . ?
C31 C32 C37 128.1(5) . . ?
C33 C32 C37 124.2(4) . . ?
C31 C32 Co1 70.7(3) . . ?
C33 C32 Co1 72.4(3) . . ?
C37 C32 Co1 133.2(3) . . ?
C29 C33 C32 108.9(4) . . ?
C29 C33 C38 127.3(5) . . ?
C32 C33 C38 123.8(4) . . ?
C29 C33 Co1 70.3(3) . . ?
C32 C33 Co1 67.7(2) . . ?
C38 C33 Co1 128.4(3) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C4 Co1 C30 114.84(19) . . ?
C4 Co1 C32 108.5(2) . . ?
C30 Co1 C32 66.91(19) . . ?
C4 Co1 C31 94.60(19) . . ?
C30 Co1 C31 38.3(2) . . ?
C32 Co1 C31 40.18(18) . . ?
C4 Co1 C29 155.50(19) . . ?
C30 Co1 C29 40.66(18) . . ?
C32 Co1 C29 66.47(19) . . ?
C31 Co1 C29 65.70(19) . . ?
C4 Co1 C33 147.6(2) . . ?
C30 Co1 C33 65.89(18) . . ?
C32 Co1 C33 39.95(19) . . ?
C31 Co1 C33 65.61(19) . . ?
C29 Co1 C33 37.98(18) . . ?
C4 Co1 S1 94.70(14) . . ?
C30 Co1 S1 91.33(14) . . ?
C32 Co1 S1 153.11(15) . . ?
C31 Co1 S1 126.76(14) . . ?
C29 Co1 S1 86.77(14) . . ?
C33 Co1 S1 117.71(15) . . ?
C4 Co1 S2 86.06(14) . . ?
C30 Co1 S2 158.00(14) . . ?
C32 Co1 S2 101.07(13) . . ?
C31 Co1 S2 139.10(14) . . ?
C29 Co1 S2 118.30(13) . . ?
C33 Co1 S2 92.90(13) . . ?
S1 Co1 S2 93.80(5) . . ?
C9 Fe1 C10 42.14(19) . . ?
C9 Fe1 C14 105.5(2) . . ?
C10 Fe1 C14 120.2(2) . . ?
C9 Fe1 C18 121.0(2) . . ?
C10 Fe1 C18 156.8(2) . . ?
C14 Fe1 C18 40.4(2) . . ?
C9 Fe1 C13 41.06(18) . . ?
C10 Fe1 C13 70.0(2) . . ?
C14 Fe1 C13 122.6(2) . . ?
C18 Fe1 C13 107.6(2) . . ?
C9 Fe1 C12 69.11(18) . . ?
C10 Fe1 C12 69.20(19) . . ?
C14 Fe1 C12 160.4(2) . . ?
C18 Fe1 C12 125.0(2) . . ?
C13 Fe1 C12 41.16(19) . . ?
C9 Fe1 C16 159.3(2) . . ?
C10 Fe1 C16 122.2(2) . . ?
C14 Fe1 C16 68.7(2) . . ?
C18 Fe1 C16 68.3(2) . . ?
C13 Fe1 C16 158.7(2) . . ?
C12 Fe1 C16 122.9(2) . . ?
C9 Fe1 C15 121.6(2) . . ?
C10 Fe1 C15 104.6(2) . . ?
C14 Fe1 C15 41.4(2) . . ?
C18 Fe1 C15 69.0(2) . . ?
C13 Fe1 C15 159.0(2) . . ?
C12 Fe1 C15 157.5(2) . . ?
C16 Fe1 C15 41.0(2) . . ?
C9 Fe1 C17 157.9(2) . . ?
C10 Fe1 C17 159.1(2) . . ?
C14 Fe1 C17 69.3(2) . . ?
C18 Fe1 C17 41.4(2) . . ?
C13 Fe1 C17 122.5(2) . . ?
C12 Fe1 C17 108.3(2) . . ?
C16 Fe1 C17 40.5(2) . . ?
C15 Fe1 C17 69.5(2) . . ?
C9 Fe1 C11 68.95(19) . . ?
C10 Fe1 C11 40.41(18) . . ?
C14 Fe1 C11 156.5(2) . . ?
C18 Fe1 C11 161.9(2) . . ?
C13 Fe1 C11 69.1(2) . . ?
C12 Fe1 C11 40.89(19) . . ?
C16 Fe1 C11 108.0(2) . . ?
C15 Fe1 C11 120.7(2) . . ?
C17 Fe1 C11 124.3(2) . . ?
C19 Fe2 C21 68.9(2) . . ?
C19 Fe2 C20 41.3(2) . . ?
C21 Fe2 C20 40.53(18) . . ?
C19 Fe2 C28 124.2(2) . . ?
C21 Fe2 C28 158.3(2) . . ?
C20 Fe2 C28 160.45(19) . . ?
C19 Fe2 C24 108.8(2) . . ?
C21 Fe2 C24 157.6(2) . . ?
C20 Fe2 C24 123.0(2) . . ?
C28 Fe2 C24 41.3(2) . . ?
C19 Fe2 C27 159.5(2) . . ?
C21 Fe2 C27 120.1(2) . . ?
C20 Fe2 C27 156.5(2) . . ?
C28 Fe2 C27 41.62(19) . . ?
C24 Fe2 C27 70.2(2) . . ?
C19 Fe2 C23 41.36(18) . . ?
C21 Fe2 C23 70.1(2) . . ?
C20 Fe2 C23 70.2(2) . . ?
C28 Fe2 C23 107.4(2) . . ?
C24 Fe2 C23 123.8(2) . . ?
C27 Fe2 C23 121.2(2) . . ?
C19 Fe2 C22 69.23(19) . . ?
C21 Fe2 C22 39.8(2) . . ?
C20 Fe2 C22 68.1(2) . . ?
C28 Fe2 C22 124.0(2) . . ?
C24 Fe2 C22 162.0(2) . . ?
C27 Fe2 C22 105.1(2) . . ?
C23 Fe2 C22 42.8(2) . . ?
C19 Fe2 C26 159.4(2) . . ?
C21 Fe2 C26 106.0(2) . . ?
C20 Fe2 C26 122.0(2) . . ?
C28 Fe2 C26 67.7(2) . . ?
C24 Fe2 C26 67.9(2) . . ?
C27 Fe2 C26 40.5(2) . . ?
C23 Fe2 C26 157.7(2) . . ?
C22 Fe2 C26 120.4(2) . . ?
C19 Fe2 C25 122.2(2) . . ?
C21 Fe2 C25 120.6(2) . . ?
C20 Fe2 C25 105.5(2) . . ?
C28 Fe2 C25 69.5(2) . . ?
C24 Fe2 C25 40.4(2) . . ?
C27 Fe2 C25 71.1(2) . . ?
C23 Fe2 C25 159.0(2) . . ?
C22 Fe2 C25 156.1(2) . . ?
C26 Fe2 C25 41.9(2) . . ?
C7 S1 C1 102.9(2) . . ?
C7 S1 Co1 112.24(16) . . ?
C1 S1 Co1 108.20(16) . . ?
C2 S2 Co1 104.39(15) . . ?
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
B3 C1 1.727(7) . ?
B3 B8 1.742(8) . ?
B3 C2 1.743(7) . ?
B3 B9 1.756(7) . ?
B3 B4 1.802(8) . ?
B3 H3A 0.9601 . ?
B4 C1 1.687(7) . ?
B4 B9 1.771(8) . ?
B4 B10 1.772(8) . ?
B4 B5 1.796(8) . ?
B4 H4A 0.9600 . ?
B5 C1 1.705(7) . ?
B5 B11 1.771(8) . ?
B5 B6 1.787(8) . ?
B5 B10 1.792(8) . ?
B5 H5A 0.9600 . ?
B6 C2 1.680(7) . ?
B6 C1 1.713(7) . ?
B6 B7 1.741(7) . ?
B6 B11 1.758(8) . ?
B6 H6A 0.9600 . ?
B7 C2 1.701(7) . ?
B7 B12 1.760(8) . ?
B7 B11 1.761(8) . ?
B7 B8 1.799(7) . ?
B7 H7A 0.9600 . ?
B8 C2 1.733(7) . ?
B8 B9 1.746(8) . ?
B8 B12 1.746(8) . ?
B8 H8A 0.9599 . ?
B9 B12 1.794(8) . ?
B9 B10 1.809(8) . ?
B9 H9A 0.9601 . ?
B10 B12 1.803(9) . ?
B10 B11 1.805(8) . ?
B10 H10A 0.9600 . ?
B11 B12 1.796(8) . ?
B11 H11A 0.9601 . ?
B12 H12A 0.9599 . ?
C1 C2 1.632(6) . ?
C1 S1 1.813(5) . ?
C2 S2 1.798(5) . ?
C3 O1 1.236(5) . ?
C3 C9 1.494(6) . ?
C3 C4 1.511(7) . ?
C4 C5 1.358(6) . ?
C4 Co1 1.929(5) . ?
C5 C6 1.441(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.353(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.521(6) . ?
C7 S1 1.752(5) . ?
C8 O2 1.190(6) . ?
C8 C19 1.486(6) . ?
C9 C13 1.423(6) . ?
C9 C10 1.453(7) . ?
C9 Fe1 2.017(5) . ?
C10 C11 1.410(6) . ?
C10 Fe1 2.024(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.433(7) . ?
C11 Fe1 2.058(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.436(7) . ?
C12 Fe1 2.045(5) . ?
C12 H12 0.9300 . ?
C13 Fe1 2.039(5) . ?
C13 H13 0.9300 . ?
C14 C18 1.400(7) . ?
C14 C15 1.442(8) . ?
C14 Fe1 2.024(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.437(8) . ?
C15 Fe1 2.052(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.422(8) . ?
C16 Fe1 2.051(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.442(8) . ?
C17 Fe1 2.055(5) . ?
C17 H17 0.9300 . ?
C18 Fe1 2.026(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.425(7) . ?
C19 C23 1.428(7) . ?
C19 Fe2 2.015(5) . ?
C20 C21 1.399(6) . ?
C20 Fe2 2.022(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.379(8) . ?
C21 Fe2 2.018(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.481(8) . ?
C22 Fe2 2.035(6) . ?
C22 H22 0.9300 . ?
C23 Fe2 2.028(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.406(8) . ?
C24 C28 1.428(7) . ?
C24 Fe2 2.025(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.461(7) . ?
C25 Fe2 2.047(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.407(7) . ?
C26 Fe2 2.038(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.438(7) . ?
C27 Fe2 2.025(5) . ?
C27 H27 0.9300 . ?
C28 Fe2 2.023(6) . ?
C28 H28 0.9300 . ?
C29 C33 1.401(7) . ?
C29 C30 1.468(7) . ?
C29 C34 1.506(7) . ?
C29 Co1 2.143(4) . ?
C30 C31 1.378(7) . ?
C30 C35 1.526(6) . ?
C30 Co1 2.079(4) . ?
C31 C32 1.448(7) . ?
C31 C36 1.505(6) . ?
C31 Co1 2.119(4) . ?
C32 C33 1.456(7) . ?
C32 C37 1.496(7) . ?
C32 Co1 2.097(5) . ?
C33 C38 1.502(6) . ?
C33 Co1 2.161(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
Co1 S1 2.1929(13) . ?
Co1 S2 2.2647(13) . ?
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
B8 B3 B4 C1 95.7(4) . . . . ?
C2 B3 B4 C1 33.8(3) . . . . ?
B9 B3 B4 C1 134.0(4) . . . . ?
C1 B3 B4 B9 -134.0(4) . . . . ?
B8 B3 B4 B9 -38.4(4) . . . . ?
C2 B3 B4 B9 -100.2(4) . . . . ?
C1 B3 B4 B10 -96.5(4) . . . . ?
B8 B3 B4 B10 -0.8(5) . . . . ?
C2 B3 B4 B10 -62.6(4) . . . . ?
B9 B3 B4 B10 37.5(4) . . . . ?
C1 B3 B4 B5 -32.5(3) . . . . ?
B8 B3 B4 B5 63.2(4) . . . . ?
C2 B3 B4 B5 1.4(4) . . . . ?
B9 B3 B4 B5 101.5(4) . . . . ?
B9 B4 B5 C1 95.4(4) . . . . ?
B10 B4 B5 C1 133.9(4) . . . . ?
B3 B4 B5 C1 32.8(3) . . . . ?
C1 B4 B5 B11 -95.4(4) . . . . ?
B9 B4 B5 B11 -0.1(5) . . . . ?
B10 B4 B5 B11 38.5(4) . . . . ?
B3 B4 B5 B11 -62.7(5) . . . . ?
C1 B4 B5 B6 -33.2(3) . . . . ?
B9 B4 B5 B6 62.2(5) . . . . ?
B10 B4 B5 B6 100.8(4) . . . . ?
B3 B4 B5 B6 -0.4(5) . . . . ?
C1 B4 B5 B10 -133.9(4) . . . . ?
B9 B4 B5 B10 -38.5(4) . . . . ?
B3 B4 B5 B10 -101.2(4) . . . . ?
C1 B5 B6 C2 -33.5(3) . . . . ?
B11 B5 B6 C2 99.9(4) . . . . ?
B10 B5 B6 C2 61.5(5) . . . . ?
B4 B5 B6 C2 -0.8(4) . . . . ?
B11 B5 B6 C1 133.4(4) . . . . ?
B10 B5 B6 C1 95.0(4) . . . . ?
B4 B5 B6 C1 32.7(3) . . . . ?
C1 B5 B6 B7 -96.1(4) . . . . ?
B11 B5 B6 B7 37.3(4) . . . . ?
B10 B5 B6 B7 -1.2(5) . . . . ?
B4 B5 B6 B7 -63.5(5) . . . . ?
C1 B5 B6 B11 -133.4(4) . . . . ?
B10 B5 B6 B11 -38.4(4) . . . . ?
B4 B5 B6 B11 -100.7(4) . . . . ?
C1 B6 B7 C2 37.0(3) . . . . ?
B11 B6 B7 C2 135.1(4) . . . . ?
B5 B6 B7 C2 98.0(4) . . . . ?
C2 B6 B7 B12 -96.4(4) . . . . ?
C1 B6 B7 B12 -59.4(5) . . . . ?
B11 B6 B7 B12 38.6(4) . . . . ?
B5 B6 B7 B12 1.6(5) . . . . ?
C2 B6 B7 B11 -135.1(4) . . . . ?
C1 B6 B7 B11 -98.0(4) . . . . ?
B5 B6 B7 B11 -37.0(4) . . . . ?
C2 B6 B7 B8 -34.2(4) . . . . ?
C1 B6 B7 B8 2.8(5) . . . . ?
B11 B6 B7 B8 100.8(4) . . . . ?
B5 B6 B7 B8 63.8(5) . . . . ?
C1 B3 B8 C2 -36.1(3) . . . . ?
B9 B3 B8 C2 -133.7(4) . . . . ?
B4 B3 B8 C2 -95.4(4) . . . . ?
C1 B3 B8 B9 97.5(4) . . . . ?
C2 B3 B8 B9 133.7(4) . . . . ?
B4 B3 B8 B9 38.3(3) . . . . ?
C1 B3 B8 B12 59.3(5) . . . . ?
C2 B3 B8 B12 95.4(4) . . . . ?
B9 B3 B8 B12 -38.2(4) . . . . ?
B4 B3 B8 B12 0.0(5) . . . . ?
C1 B3 B8 B7 -4.2(5) . . . . ?
C2 B3 B8 B7 31.9(4) . . . . ?
B9 B3 B8 B7 -101.8(4) . . . . ?
B4 B3 B8 B7 -63.5(5) . . . . ?
B6 B7 B8 C2 33.9(4) . . . . ?
B12 B7 B8 C2 135.7(4) . . . . ?
B11 B7 B8 C2 97.5(4) . . . . ?
C2 B7 B8 B3 -32.9(4) . . . . ?
B6 B7 B8 B3 0.9(5) . . . . ?
B12 B7 B8 B3 102.8(4) . . . . ?
B11 B7 B8 B3 64.6(5) . . . . ?
C2 B7 B8 B9 -97.3(4) . . . . ?
B6 B7 B8 B9 -63.4(5) . . . . ?
B12 B7 B8 B9 38.5(4) . . . . ?
B11 B7 B8 B9 0.2(5) . . . . ?
C2 B7 B8 B12 -135.7(4) . . . . ?
B6 B7 B8 B12 -101.8(4) . . . . ?
B11 B7 B8 B12 -38.2(4) . . . . ?
C2 B8 B9 B3 40.8(4) . . . . ?
B12 B8 B9 B3 138.8(4) . . . . ?
B7 B8 B9 B3 101.3(4) . . . . ?
C2 B8 B9 B4 1.4(5) . . . . ?
B3 B8 B9 B4 -39.4(4) . . . . ?
B12 B8 B9 B4 99.4(4) . . . . ?
B7 B8 B9 B4 61.9(5) . . . . ?
C2 B8 B9 B12 -98.0(4) . . . . ?
B3 B8 B9 B12 -138.8(4) . . . . ?
B7 B8 B9 B12 -37.4(4) . . . . ?
C2 B8 B9 B10 -61.3(5) . . . . ?
B3 B8 B9 B10 -102.1(4) . . . . ?
B12 B8 B9 B10 36.7(4) . . . . ?
B7 B8 B9 B10 -0.7(5) . . . . ?
C1 B3 B9 B8 -98.3(4) . . . . ?
C2 B3 B9 B8 -40.3(3) . . . . ?
B4 B3 B9 B8 -136.6(4) . . . . ?
C1 B3 B9 B4 38.3(3) . . . . ?
B8 B3 B9 B4 136.6(4) . . . . ?
C2 B3 B9 B4 96.3(4) . . . . ?
C1 B3 B9 B12 -62.0(5) . . . . ?
B8 B3 B9 B12 36.3(4) . . . . ?
C2 B3 B9 B12 -4.0(5) . . . . ?
B4 B3 B9 B12 -100.3(4) . . . . ?
C1 B3 B9 B10 1.5(5) . . . . ?
B8 B3 B9 B10 99.8(4) . . . . ?
C2 B3 B9 B10 59.5(5) . . . . ?
B4 B3 B9 B10 -36.8(4) . . . . ?
C1 B4 B9 B8 -1.0(5) . . . . ?
B10 B4 B9 B8 -100.3(4) . . . . ?
B5 B4 B9 B8 -62.2(5) . . . . ?
B3 B4 B9 B8 38.6(4) . . . . ?
C1 B4 B9 B3 -39.6(3) . . . . ?
B10 B4 B9 B3 -138.9(4) . . . . ?
B5 B4 B9 B3 -100.8(4) . . . . ?
C1 B4 B9 B12 61.2(5) . . . . ?
B10 B4 B9 B12 -38.0(4) . . . . ?
B5 B4 B9 B12 0.0(5) . . . . ?
B3 B4 B9 B12 100.8(4) . . . . ?
C1 B4 B9 B10 99.2(4) . . . . ?
B5 B4 B9 B10 38.1(4) . . . . ?
B3 B4 B9 B10 138.9(4) . . . . ?
C1 B4 B10 B5 39.4(4) . . . . ?
B9 B4 B10 B5 137.9(4) . . . . ?
B3 B4 B10 B5 101.5(4) . . . . ?
C1 B4 B10 B12 -60.7(5) . . . . ?
B9 B4 B10 B12 37.7(4) . . . . ?
B5 B4 B10 B12 -100.2(4) . . . . ?
B3 B4 B10 B12 1.3(5) . . . . ?
C1 B4 B10 B11 1.9(5) . . . . ?
B9 B4 B10 B11 100.4(4) . . . . ?
B5 B4 B10 B11 -37.5(4) . . . . ?
B3 B4 B10 B11 63.9(5) . . . . ?
C1 B4 B10 B9 -98.5(4) . . . . ?
B5 B4 B10 B9 -137.9(4) . . . . ?
B3 B4 B10 B9 -36.4(4) . . . . ?
C1 B5 B10 B4 -38.6(4) . . . . ?
B11 B5 B10 B4 -137.2(4) . . . . ?
B6 B5 B10 B4 -99.5(4) . . . . ?
C1 B5 B10 B12 61.3(5) . . . . ?
B11 B5 B10 B12 -37.4(4) . . . . ?
B6 B5 B10 B12 0.3(5) . . . . ?
B4 B5 B10 B12 99.9(4) . . . . ?
C1 B5 B10 B11 98.6(4) . . . . ?
B6 B5 B10 B11 37.7(4) . . . . ?
B4 B5 B10 B11 137.2(4) . . . . ?
C1 B5 B10 B9 -1.4(5) . . . . ?
B11 B5 B10 B9 -100.0(4) . . . . ?
B6 B5 B10 B9 -62.3(5) . . . . ?
B4 B5 B10 B9 37.2(4) . . . . ?
B8 B9 B10 B4 100.9(4) . . . . ?
B3 B9 B10 B4 37.7(4) . . . . ?
B12 B9 B10 B4 137.2(4) . . . . ?
B8 B9 B10 B5 63.1(5) . . . . ?
B3 B9 B10 B5 -0.1(5) . . . . ?
B4 B9 B10 B5 -37.8(4) . . . . ?
B12 B9 B10 B5 99.4(4) . . . . ?
B8 B9 B10 B12 -36.3(3) . . . . ?
B3 B9 B10 B12 -99.5(4) . . . . ?
B4 B9 B10 B12 -137.2(4) . . . . ?
B8 B9 B10 B11 1.0(5) . . . . ?
B3 B9 B10 B11 -62.2(5) . . . . ?
B4 B9 B10 B11 -99.9(4) . . . . ?
B12 B9 B10 B11 37.2(4) . . . . ?
C2 B6 B11 B7 39.4(4) . . . . ?
C1 B6 B11 B7 99.2(4) . . . . ?
B5 B6 B11 B7 138.7(4) . . . . ?
C2 B6 B11 B5 -99.3(4) . . . . ?
C1 B6 B11 B5 -39.6(3) . . . . ?
B7 B6 B11 B5 -138.7(4) . . . . ?
C2 B6 B11 B12 2.3(5) . . . . ?
C1 B6 B11 B12 62.0(5) . . . . ?
B7 B6 B11 B12 -37.1(4) . . . . ?
B5 B6 B11 B12 101.6(4) . . . . ?
C2 B6 B11 B10 -61.0(5) . . . . ?
C1 B6 B11 B10 -1.3(5) . . . . ?
B7 B6 B11 B10 -100.4(4) . . . . ?
B5 B6 B11 B10 38.3(4) . . . . ?
C2 B7 B11 B6 -38.6(3) . . . . ?
B12 B7 B11 B6 -137.7(4) . . . . ?
B8 B7 B11 B6 -100.7(4) . . . . ?
C2 B7 B11 B5 -1.2(5) . . . . ?
B6 B7 B11 B5 37.4(4) . . . . ?
B12 B7 B11 B5 -100.3(4) . . . . ?
B8 B7 B11 B5 -63.3(5) . . . . ?
C2 B7 B11 B12 99.1(4) . . . . ?
B6 B7 B11 B12 137.7(4) . . . . ?
B8 B7 B11 B12 37.0(4) . . . . ?
C2 B7 B11 B10 62.4(5) . . . . ?
B6 B7 B11 B10 101.0(4) . . . . ?
B12 B7 B11 B10 -36.7(4) . . . . ?
B8 B7 B11 B10 0.4(5) . . . . ?
C1 B5 B11 B6 39.7(3) . . . . ?
B10 B5 B11 B6 137.3(4) . . . . ?
B4 B5 B11 B6 99.6(4) . . . . ?
C1 B5 B11 B7 3.0(5) . . . . ?
B6 B5 B11 B7 -36.7(4) . . . . ?
B10 B5 B11 B7 100.6(4) . . . . ?
B4 B5 B11 B7 62.8(5) . . . . ?
C1 B5 B11 B12 -59.7(5) . . . . ?
B6 B5 B11 B12 -99.5(4) . . . . ?
B10 B5 B11 B12 37.8(4) . . . . ?
B4 B5 B11 B12 0.1(5) . . . . ?
C1 B5 B11 B10 -97.6(4) . . . . ?
B6 B5 B11 B10 -137.3(4) . . . . ?
B4 B5 B11 B10 -37.7(4) . . . . ?
B4 B10 B11 B6 -0.4(5) . . . . ?
B5 B10 B11 B6 -38.6(4) . . . . ?
B12 B10 B11 B6 99.1(4) . . . . ?
B9 B10 B11 B6 61.9(5) . . . . ?
B4 B10 B11 B7 -63.1(5) . . . . ?
B5 B10 B11 B7 -101.3(4) . . . . ?
B12 B10 B11 B7 36.4(4) . . . . ?
B9 B10 B11 B7 -0.8(5) . . . . ?
B4 B10 B11 B5 38.2(4) . . . . ?
B12 B10 B11 B5 137.7(4) . . . . ?
B9 B10 B11 B5 100.5(4) . . . . ?
B4 B10 B11 B12 -99.5(4) . . . . ?
B5 B10 B11 B12 -137.7(4) . . . . ?
B9 B10 B11 B12 -37.2(4) . . . . ?
C2 B8 B12 B7 -37.5(3) . . . . ?
B3 B8 B12 B7 -100.6(4) . . . . ?
B9 B8 B12 B7 -138.2(4) . . . . ?
C2 B8 B12 B9 100.8(4) . . . . ?
B3 B8 B12 B9 37.6(4) . . . . ?
B7 B8 B12 B9 138.2(4) . . . . ?
C2 B8 B12 B11 0.1(5) . . . . ?
B3 B8 B12 B11 -63.0(5) . . . . ?
B9 B8 B12 B11 -100.7(4) . . . . ?
B7 B8 B12 B11 37.5(4) . . . . ?
C2 B8 B12 B10 63.9(5) . . . . ?
B3 B8 B12 B10 0.8(5) . . . . ?
B9 B8 B12 B10 -36.9(4) . . . . ?
B7 B8 B12 B10 101.3(4) . . . . ?
C2 B7 B12 B8 38.5(4) . . . . ?
B6 B7 B12 B8 99.7(4) . . . . ?
B11 B7 B12 B8 137.9(4) . . . . ?
C2 B7 B12 B9 1.3(5) . . . . ?
B6 B7 B12 B9 62.6(5) . . . . ?
B11 B7 B12 B9 100.8(4) . . . . ?
B8 B7 B12 B9 -37.1(4) . . . . ?
C2 B7 B12 B11 -99.4(4) . . . . ?
B6 B7 B12 B11 -38.1(4) . . . . ?
B8 B7 B12 B11 -137.9(4) . . . . ?
C2 B7 B12 B10 -62.6(5) . . . . ?
B6 B7 B12 B10 -1.4(5) . . . . ?
B11 B7 B12 B10 36.8(4) . . . . ?
B8 B7 B12 B10 -101.1(4) . . . . ?
B3 B9 B12 B8 -36.6(4) . . . . ?
B4 B9 B12 B8 -101.2(4) . . . . ?
B10 B9 B12 B8 -138.9(4) . . . . ?
B8 B9 B12 B7 38.3(4) . . . . ?
B3 B9 B12 B7 1.7(5) . . . . ?
B4 B9 B12 B7 -62.9(5) . . . . ?
B10 B9 B12 B7 -100.6(4) . . . . ?
B8 B9 B12 B11 101.2(4) . . . . ?
B3 B9 B12 B11 64.7(5) . . . . ?
B4 B9 B12 B11 0.0(5) . . . . ?
B10 B9 B12 B11 -37.7(4) . . . . ?
B8 B9 B12 B10 138.9(4) . . . . ?
B3 B9 B12 B10 102.4(4) . . . . ?
B4 B9 B12 B10 37.7(4) . . . . ?
B6 B11 B12 B8 -1.5(5) . . . . ?
B7 B11 B12 B8 -38.6(4) . . . . ?
B5 B11 B12 B8 62.6(5) . . . . ?
B10 B11 B12 B8 100.4(4) . . . . ?
B6 B11 B12 B7 37.1(4) . . . . ?
B5 B11 B12 B7 101.2(4) . . . . ?
B10 B11 B12 B7 139.0(4) . . . . ?
B6 B11 B12 B9 -64.1(5) . . . . ?
B7 B11 B12 B9 -101.3(4) . . . . ?
B5 B11 B12 B9 -0.1(5) . . . . ?
B10 B11 B12 B9 37.8(4) . . . . ?
B6 B11 B12 B10 -101.9(4) . . . . ?
B7 B11 B12 B10 -139.0(4) . . . . ?
B5 B11 B12 B10 -37.8(4) . . . . ?
B4 B10 B12 B8 -1.2(5) . . . . ?
B5 B10 B12 B8 -64.7(5) . . . . ?
B11 B10 B12 B8 -101.7(4) . . . . ?
B9 B10 B12 B8 36.3(4) . . . . ?
B4 B10 B12 B7 64.1(5) . . . . ?
B5 B10 B12 B7 0.6(5) . . . . ?
B11 B10 B12 B7 -36.4(4) . . . . ?
B9 B10 B12 B7 101.6(4) . . . . ?
B4 B10 B12 B9 -37.6(4) . . . . ?
B5 B10 B12 B9 -101.0(4) . . . . ?
B11 B10 B12 B9 -138.0(4) . . . . ?
B4 B10 B12 B11 100.5(4) . . . . ?
B5 B10 B12 B11 37.0(4) . . . . ?
B9 B10 B12 B11 138.0(4) . . . . ?
B9 B4 C1 C2 0.3(5) . . . . ?
B10 B4 C1 C2 63.9(5) . . . . ?
B5 B4 C1 C2 104.2(4) . . . . ?
B3 B4 C1 C2 -39.2(4) . . . . ?
B9 B4 C1 B5 -104.0(4) . . . . ?
B10 B4 C1 B5 -40.3(4) . . . . ?
B3 B4 C1 B5 -143.4(4) . . . . ?
B9 B4 C1 B6 -66.7(5) . . . . ?
B10 B4 C1 B6 -3.0(5) . . . . ?
B5 B4 C1 B6 37.3(4) . . . . ?
B3 B4 C1 B6 -106.1(4) . . . . ?
B9 B4 C1 B3 39.4(4) . . . . ?
B10 B4 C1 B3 103.1(4) . . . . ?
B5 B4 C1 B3 143.4(4) . . . . ?
B9 B4 C1 S1 147.9(4) . . . . ?
B10 B4 C1 S1 -148.4(4) . . . . ?
B5 B4 C1 S1 -108.1(4) . . . . ?
B3 B4 C1 S1 108.5(4) . . . . ?
B11 B5 C1 C2 -3.9(5) . . . . ?
B6 B5 C1 C2 36.1(3) . . . . ?
B10 B5 C1 C2 -66.7(5) . . . . ?
B4 B5 C1 C2 -106.1(4) . . . . ?
B11 B5 C1 B4 102.2(4) . . . . ?
B6 B5 C1 B4 142.2(4) . . . . ?
B10 B5 C1 B4 39.4(4) . . . . ?
B11 B5 C1 B6 -40.0(4) . . . . ?
B10 B5 C1 B6 -102.8(4) . . . . ?
B4 B5 C1 B6 -142.2(4) . . . . ?
B11 B5 C1 B3 65.4(5) . . . . ?
B6 B5 C1 B3 105.4(4) . . . . ?
B10 B5 C1 B3 2.6(5) . . . . ?
B4 B5 C1 B3 -36.8(4) . . . . ?
B11 B5 C1 S1 -140.5(3) . . . . ?
B6 B5 C1 S1 -100.5(4) . . . . ?
B10 B5 C1 S1 156.7(3) . . . . ?
B4 B5 C1 S1 117.3(4) . . . . ?
B7 B6 C1 C2 -38.0(3) . . . . ?
B11 B6 C1 C2 -100.6(4) . . . . ?
B5 B6 C1 C2 -141.0(4) . . . . ?
C2 B6 C1 B4 103.4(4) . . . . ?
B7 B6 C1 B4 65.4(5) . . . . ?
B11 B6 C1 B4 2.7(5) . . . . ?
B5 B6 C1 B4 -37.7(4) . . . . ?
C2 B6 C1 B5 141.0(4) . . . . ?
B7 B6 C1 B5 103.0(4) . . . . ?
B11 B6 C1 B5 40.4(4) . . . . ?
C2 B6 C1 B3 32.1(4) . . . . ?
B7 B6 C1 B3 -6.0(5) . . . . ?
B11 B6 C1 B3 -68.6(5) . . . . ?
B5 B6 C1 B3 -109.0(4) . . . . ?
C2 B6 C1 S1 -106.6(3) . . . . ?
B7 B6 C1 S1 -144.6(3) . . . . ?
B11 B6 C1 S1 152.8(3) . . . . ?
B5 B6 C1 S1 112.4(4) . . . . ?
B8 B3 C1 C2 37.8(3) . . . . ?
B9 B3 C1 C2 99.6(4) . . . . ?
B4 B3 C1 C2 139.2(4) . . . . ?
B8 B3 C1 B4 -101.4(4) . . . . ?
C2 B3 C1 B4 -139.2(4) . . . . ?
B9 B3 C1 B4 -39.6(4) . . . . ?
B8 B3 C1 B5 -64.4(5) . . . . ?
C2 B3 C1 B5 -102.2(4) . . . . ?
B9 B3 C1 B5 -2.7(5) . . . . ?
B4 B3 C1 B5 36.9(4) . . . . ?
B8 B3 C1 B6 6.5(5) . . . . ?
C2 B3 C1 B6 -31.3(4) . . . . ?
B9 B3 C1 B6 68.2(5) . . . . ?
B4 B3 C1 B6 107.8(4) . . . . ?
B8 B3 C1 S1 141.6(3) . . . . ?
C2 B3 C1 S1 103.8(4) . . . . ?
B9 B3 C1 S1 -156.7(3) . . . . ?
B4 B3 C1 S1 -117.1(4) . . . . ?
B4 C1 C2 B6 -107.3(4) . . . . ?
B5 C1 C2 B6 -37.2(4) . . . . ?
B3 C1 C2 B6 -147.0(4) . . . . ?
S1 C1 C2 B6 101.4(4) . . . . ?
B4 C1 C2 B7 -66.8(5) . . . . ?
B5 C1 C2 B7 3.3(5) . . . . ?
B6 C1 C2 B7 40.6(3) . . . . ?
B3 C1 C2 B7 -106.5(4) . . . . ?
S1 C1 C2 B7 142.0(3) . . . . ?
B4 C1 C2 B8 0.6(5) . . . . ?
B5 C1 C2 B8 70.7(4) . . . . ?
B6 C1 C2 B8 107.9(4) . . . . ?
B3 C1 C2 B8 -39.1(4) . . . . ?
S1 C1 C2 B8 -150.6(3) . . . . ?
B4 C1 C2 B3 39.7(4) . . . . ?
B5 C1 C2 B3 109.8(4) . . . . ?
B6 C1 C2 B3 147.0(4) . . . . ?
S1 C1 C2 B3 -111.6(4) . . . . ?
B4 C1 C2 S2 144.8(3) . . . . ?
B5 C1 C2 S2 -145.1(3) . . . . ?
B6 C1 C2 S2 -107.9(4) . . . . ?
B3 C1 C2 S2 105.1(4) . . . . ?
S1 C1 C2 S2 -6.4(5) . . . . ?
B7 B6 C2 C1 136.3(4) . . . . ?
B11 B6 C2 C1 96.5(4) . . . . ?
B5 B6 C2 C1 33.8(3) . . . . ?
C1 B6 C2 B7 -136.3(4) . . . . ?
B11 B6 C2 B7 -39.8(4) . . . . ?
B5 B6 C2 B7 -102.5(4) . . . . ?
C1 B6 C2 B8 -98.9(4) . . . . ?
B7 B6 C2 B8 37.4(4) . . . . ?
B11 B6 C2 B8 -2.4(5) . . . . ?
B5 B6 C2 B8 -65.1(4) . . . . ?
C1 B6 C2 B3 -32.0(4) . . . . ?
B7 B6 C2 B3 104.3(4) . . . . ?
B11 B6 C2 B3 64.5(5) . . . . ?
B5 B6 C2 B3 1.8(5) . . . . ?
C1 B6 C2 S2 110.2(4) . . . . ?
B7 B6 C2 S2 -113.5(4) . . . . ?
B11 B6 C2 S2 -153.4(3) . . . . ?
B5 B6 C2 S2 144.0(3) . . . . ?
B6 B7 C2 C1 -40.7(4) . . . . ?
B12 B7 C2 C1 62.6(4) . . . . ?
B11 B7 C2 C1 -1.2(5) . . . . ?
B8 B7 C2 C1 100.8(4) . . . . ?
B12 B7 C2 B6 103.3(4) . . . . ?
B11 B7 C2 B6 39.5(4) . . . . ?
B8 B7 C2 B6 141.5(4) . . . . ?
B6 B7 C2 B8 -141.5(4) . . . . ?
B12 B7 C2 B8 -38.2(4) . . . . ?
B11 B7 C2 B8 -102.0(4) . . . . ?
B6 B7 C2 B3 -107.4(4) . . . . ?
B12 B7 C2 B3 -4.1(5) . . . . ?
B11 B7 C2 B3 -67.9(5) . . . . ?
B8 B7 C2 B3 34.1(4) . . . . ?
B6 B7 C2 S2 106.7(4) . . . . ?
B12 B7 C2 S2 -150.0(4) . . . . ?
B11 B7 C2 S2 146.2(4) . . . . ?
B8 B7 C2 S2 -111.8(4) . . . . ?
B3 B8 C2 C1 39.7(4) . . . . ?
B9 B8 C2 C1 -1.2(5) . . . . ?
B12 B8 C2 C1 -65.6(4) . . . . ?
B7 B8 C2 C1 -104.0(4) . . . . ?
B3 B8 C2 B6 106.7(4) . . . . ?
B9 B8 C2 B6 65.8(5) . . . . ?
B12 B8 C2 B6 1.5(5) . . . . ?
B7 B8 C2 B6 -37.0(4) . . . . ?
B3 B8 C2 B7 143.7(4) . . . . ?
B9 B8 C2 B7 102.8(4) . . . . ?
B12 B8 C2 B7 38.4(4) . . . . ?
B9 B8 C2 B3 -40.9(4) . . . . ?
B12 B8 C2 B3 -105.3(4) . . . . ?
B7 B8 C2 B3 -143.7(4) . . . . ?
B3 B8 C2 S2 -103.5(4) . . . . ?
B9 B8 C2 S2 -144.4(3) . . . . ?
B12 B8 C2 S2 151.2(3) . . . . ?
B7 B8 C2 S2 112.8(4) . . . . ?
B8 B3 C2 C1 -136.4(4) . . . . ?
B9 B3 C2 C1 -95.9(4) . . . . ?
B4 B3 C2 C1 -34.3(3) . . . . ?
C1 B3 C2 B6 32.2(4) . . . . ?
B8 B3 C2 B6 -104.1(4) . . . . ?
B9 B3 C2 B6 -63.7(5) . . . . ?
B4 B3 C2 B6 -2.0(5) . . . . ?
C1 B3 C2 B7 101.1(4) . . . . ?
B8 B3 C2 B7 -35.2(4) . . . . ?
B9 B3 C2 B7 5.2(5) . . . . ?
B4 B3 C2 B7 66.9(4) . . . . ?
C1 B3 C2 B8 136.4(4) . . . . ?
B9 B3 C2 B8 40.4(4) . . . . ?
B4 B3 C2 B8 102.1(4) . . . . ?
C1 B3 C2 S2 -110.7(3) . . . . ?
B8 B3 C2 S2 113.0(4) . . . . ?
B9 B3 C2 S2 153.4(3) . . . . ?
B4 B3 C2 S2 -144.9(3) . . . . ?
O1 C3 C4 C5 129.7(5) . . . . ?
C9 C3 C4 C5 -46.0(6) . . . . ?
O1 C3 C4 Co1 -47.4(6) . . . . ?
C9 C3 C4 Co1 136.8(4) . . . . ?
C3 C4 C5 C6 -175.1(4) . . . . ?
Co1 C4 C5 C6 1.8(7) . . . . ?
C4 C5 C6 C7 -21.4(8) . . . . ?
C5 C6 C7 C8 174.5(4) . . . . ?
C5 C6 C7 S1 6.8(7) . . . . ?
C6 C7 C8 O2 -146.0(5) . . . . ?
S1 C7 C8 O2 22.5(6) . . . . ?
C6 C7 C8 C19 30.8(6) . . . . ?
S1 C7 C8 C19 -160.7(3) . . . . ?
O1 C3 C9 C13 155.6(5) . . . . ?
C4 C3 C9 C13 -28.5(7) . . . . ?
O1 C3 C9 C10 -21.3(7) . . . . ?
C4 C3 C9 C10 154.6(4) . . . . ?
O1 C3 C9 Fe1 63.6(6) . . . . ?
C4 C3 C9 Fe1 -120.5(4) . . . . ?
C13 C9 C10 C11 1.3(5) . . . . ?
C3 C9 C10 C11 178.8(4) . . . . ?
Fe1 C9 C10 C11 60.9(3) . . . . ?
C13 C9 C10 Fe1 -59.6(3) . . . . ?
C3 C9 C10 Fe1 117.9(4) . . . . ?
C9 C10 C11 C12 -2.0(5) . . . . ?
Fe1 C10 C11 C12 57.4(3) . . . . ?
C9 C10 C11 Fe1 -59.4(3) . . . . ?
C10 C11 C12 C13 1.9(6) . . . . ?
Fe1 C11 C12 C13 58.9(3) . . . . ?
C10 C11 C12 Fe1 -57.0(3) . . . . ?
C10 C9 C13 C12 -0.1(5) . . . . ?
C3 C9 C13 C12 -177.3(5) . . . . ?
Fe1 C9 C13 C12 -59.0(3) . . . . ?
C10 C9 C13 Fe1 58.9(3) . . . . ?
C3 C9 C13 Fe1 -118.3(5) . . . . ?
C11 C12 C13 C9 -1.1(5) . . . . ?
Fe1 C12 C13 C9 58.4(3) . . . . ?
C11 C12 C13 Fe1 -59.5(3) . . . . ?
C18 C14 C15 C16 -0.1(6) . . . . ?
Fe1 C14 C15 C16 -59.5(3) . . . . ?
C18 C14 C15 Fe1 59.5(3) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
Fe1 C15 C16 C17 -58.3(4) . . . . ?
C14 C15 C16 Fe1 58.8(3) . . . . ?
C15 C16 C17 C18 -0.6(6) . . . . ?
Fe1 C16 C17 C18 -58.7(4) . . . . ?
C15 C16 C17 Fe1 58.1(4) . . . . ?
C15 C14 C18 C17 -0.3(6) . . . . ?
Fe1 C14 C18 C17 59.4(4) . . . . ?
C15 C14 C18 Fe1 -59.8(3) . . . . ?
C16 C17 C18 C14 0.6(6) . . . . ?
Fe1 C17 C18 C14 -59.0(4) . . . . ?
C16 C17 C18 Fe1 59.6(4) . . . . ?
O2 C8 C19 C20 -151.1(6) . . . . ?
C7 C8 C19 C20 32.3(8) . . . . ?
O2 C8 C19 C23 27.1(8) . . . . ?
C7 C8 C19 C23 -149.5(5) . . . . ?
O2 C8 C19 Fe2 -58.7(6) . . . . ?
C7 C8 C19 Fe2 124.7(4) . . . . ?
C23 C19 C20 C21 0.5(6) . . . . ?
C8 C19 C20 C21 178.8(5) . . . . ?
Fe2 C19 C20 C21 59.1(4) . . . . ?
C23 C19 C20 Fe2 -58.6(4) . . . . ?
C8 C19 C20 Fe2 119.8(6) . . . . ?
C19 C20 C21 C22 0.9(6) . . . . ?
Fe2 C20 C21 C22 59.7(4) . . . . ?
C19 C20 C21 Fe2 -58.7(4) . . . . ?
C20 C21 C22 C23 -2.0(6) . . . . ?
Fe2 C21 C22 C23 57.2(4) . . . . ?
C20 C21 C22 Fe2 -59.2(4) . . . . ?
C20 C19 C23 C22 -1.6(6) . . . . ?
C8 C19 C23 C22 179.9(4) . . . . ?
Fe2 C19 C23 C22 -60.0(3) . . . . ?
C20 C19 C23 Fe2 58.5(4) . . . . ?
C8 C19 C23 Fe2 -120.1(5) . . . . ?
C21 C22 C23 C19 2.2(6) . . . . ?
Fe2 C22 C23 C19 60.0(4) . . . . ?
C21 C22 C23 Fe2 -57.9(4) . . . . ?
C28 C24 C25 C26 -1.6(6) . . . . ?
Fe2 C24 C25 C26 -59.9(4) . . . . ?
C28 C24 C25 Fe2 58.3(4) . . . . ?
C24 C25 C26 C27 3.6(6) . . . . ?
Fe2 C25 C26 C27 -56.4(4) . . . . ?
C24 C25 C26 Fe2 60.0(4) . . . . ?
C25 C26 C27 C28 -4.1(6) . . . . ?
Fe2 C26 C27 C28 -60.6(3) . . . . ?
C25 C26 C27 Fe2 56.5(4) . . . . ?
C25 C24 C28 C27 -0.8(6) . . . . ?
Fe2 C24 C28 C27 58.2(4) . . . . ?
C25 C24 C28 Fe2 -59.1(4) . . . . ?
C26 C27 C28 C24 3.0(6) . . . . ?
Fe2 C27 C28 C24 -58.3(4) . . . . ?
C26 C27 C28 Fe2 61.3(4) . . . . ?
C33 C29 C30 C31 -2.5(5) . . . . ?
C34 C29 C30 C31 171.2(4) . . . . ?
Co1 C29 C30 C31 -63.6(3) . . . . ?
C33 C29 C30 C35 -176.3(4) . . . . ?
C34 C29 C30 C35 -2.6(7) . . . . ?
Co1 C29 C30 C35 122.6(4) . . . . ?
C33 C29 C30 Co1 61.1(3) . . . . ?
C34 C29 C30 Co1 -125.2(5) . . . . ?
C29 C30 C31 C32 5.6(5) . . . . ?
C35 C30 C31 C32 178.8(4) . . . . ?
Co1 C30 C31 C32 -57.7(3) . . . . ?
C29 C30 C31 C36 -168.2(4) . . . . ?
C35 C30 C31 C36 5.0(8) . . . . ?
Co1 C30 C31 C36 128.5(5) . . . . ?
C29 C30 C31 Co1 63.3(3) . . . . ?
C35 C30 C31 Co1 -123.5(5) . . . . ?
C30 C31 C32 C33 -6.5(5) . . . . ?
C36 C31 C32 C33 167.4(4) . . . . ?
Co1 C31 C32 C33 -64.3(3) . . . . ?
C30 C31 C32 C37 -171.9(4) . . . . ?
C36 C31 C32 C37 2.0(8) . . . . ?
Co1 C31 C32 C37 130.3(5) . . . . ?
C30 C31 C32 Co1 57.8(3) . . . . ?
C36 C31 C32 Co1 -128.3(5) . . . . ?
C30 C29 C33 C32 -1.6(5) . . . . ?
C34 C29 C33 C32 -175.3(4) . . . . ?
Co1 C29 C33 C32 56.7(3) . . . . ?
C30 C29 C33 C38 177.9(4) . . . . ?
C34 C29 C33 C38 4.2(8) . . . . ?
Co1 C29 C33 C38 -123.8(5) . . . . ?
C30 C29 C33 Co1 -58.3(3) . . . . ?
C34 C29 C33 Co1 128.0(5) . . . . ?
C31 C32 C33 C29 4.9(5) . . . . ?
C37 C32 C33 C29 171.0(4) . . . . ?
Co1 C32 C33 C29 -58.3(3) . . . . ?
C31 C32 C33 C38 -174.6(4) . . . . ?
C37 C32 C33 C38 -8.5(7) . . . . ?
Co1 C32 C33 C38 122.2(4) . . . . ?
C31 C32 C33 Co1 63.2(3) . . . . ?
C37 C32 C33 Co1 -130.7(5) . . . . ?
C5 C4 Co1 C30 -74.1(5) . . . . ?
C3 C4 Co1 C30 102.6(4) . . . . ?
C5 C4 Co1 C32 -146.6(4) . . . . ?
C3 C4 Co1 C32 30.1(4) . . . . ?
C5 C4 Co1 C31 -108.0(4) . . . . ?
C3 C4 Co1 C31 68.7(4) . . . . ?
C5 C4 Co1 C29 -73.0(6) . . . . ?
C3 C4 Co1 C29 103.7(5) . . . . ?
C5 C4 Co1 C33 -157.7(4) . . . . ?
C3 C4 Co1 C33 18.9(6) . . . . ?
C5 C4 Co1 S1 19.6(4) . . . . ?
C3 C4 Co1 S1 -163.8(3) . . . . ?
C5 C4 Co1 S2 113.1(4) . . . . ?
C3 C4 Co1 S2 -70.3(3) . . . . ?
C31 C30 Co1 C4 -63.7(3) . . . . ?
C29 C30 Co1 C4 179.3(3) . . . . ?
C35 C30 Co1 C4 62.3(5) . . . . ?
C31 C30 Co1 C32 36.8(3) . . . . ?
C29 C30 Co1 C32 -80.2(3) . . . . ?
C35 C30 Co1 C32 162.8(5) . . . . ?
C29 C30 Co1 C31 -117.1(4) . . . . ?
C35 C30 Co1 C31 126.0(6) . . . . ?
C31 C30 Co1 C29 117.1(4) . . . . ?
C35 C30 Co1 C29 -117.0(6) . . . . ?
C31 C30 Co1 C33 80.6(3) . . . . ?
C29 C30 Co1 C33 -36.5(3) . . . . ?
C35 C30 Co1 C33 -153.4(5) . . . . ?
C31 C30 Co1 S1 -159.5(3) . . . . ?
C29 C30 Co1 S1 83.5(3) . . . . ?
C35 C30 Co1 S1 -33.5(5) . . . . ?
C31 C30 Co1 S2 97.0(4) . . . . ?
C29 C30 Co1 S2 -20.1(5) . . . . ?
C35 C30 Co1 S2 -137.0(4) . . . . ?
C31 C32 Co1 C4 74.7(3) . . . . ?
C33 C32 Co1 C4 -170.7(3) . . . . ?
C37 C32 Co1 C4 -50.0(5) . . . . ?
C31 C32 Co1 C30 -35.2(3) . . . . ?
C33 C32 Co1 C30 79.5(3) . . . . ?
C37 C32 Co1 C30 -159.8(6) . . . . ?
C33 C32 Co1 C31 114.6(4) . . . . ?
C37 C32 Co1 C31 -124.6(6) . . . . ?
C31 C32 Co1 C29 -79.6(3) . . . . ?
C33 C32 Co1 C29 35.0(3) . . . . ?
C37 C32 Co1 C29 155.7(5) . . . . ?
C31 C32 Co1 C33 -114.6(4) . . . . ?
C37 C32 Co1 C33 120.7(6) . . . . ?
C31 C32 Co1 S1 -73.5(4) . . . . ?
C33 C32 Co1 S1 41.2(4) . . . . ?
C37 C32 Co1 S1 161.9(3) . . . . ?
C31 C32 Co1 S2 164.2(3) . . . . ?
C33 C32 Co1 S2 -81.2(3) . . . . ?
C37 C32 Co1 S2 39.5(5) . . . . ?
C30 C31 Co1 C4 125.3(3) . . . . ?
C32 C31 Co1 C4 -113.4(3) . . . . ?
C36 C31 Co1 C4 5.2(5) . . . . ?
C32 C31 Co1 C30 121.3(4) . . . . ?
C36 C31 Co1 C30 -120.1(6) . . . . ?
C30 C31 Co1 C32 -121.3(4) . . . . ?
C36 C31 Co1 C32 118.6(6) . . . . ?
C30 C31 Co1 C29 -39.5(3) . . . . ?
C32 C31 Co1 C29 81.7(3) . . . . ?
C36 C31 Co1 C29 -159.7(5) . . . . ?
C30 C31 Co1 C33 -81.4(3) . . . . ?
C32 C31 Co1 C33 39.9(3) . . . . ?
C36 C31 Co1 C33 158.5(5) . . . . ?
C30 C31 Co1 S1 26.0(3) . . . . ?
C32 C31 Co1 S1 147.2(2) . . . . ?
C36 C31 Co1 S1 -94.2(5) . . . . ?
C30 C31 Co1 S2 -145.4(2) . . . . ?
C32 C31 Co1 S2 -24.1(4) . . . . ?
C36 C31 Co1 S2 94.5(5) . . . . ?
C33 C29 Co1 C4 -119.8(5) . . . . ?
C30 C29 Co1 C4 -1.6(6) . . . . ?
C34 C29 Co1 C4 117.7(5) . . . . ?
C33 C29 Co1 C30 -118.2(4) . . . . ?
C34 C29 Co1 C30 119.3(6) . . . . ?
C33 C29 Co1 C32 -36.8(3) . . . . ?
C30 C29 Co1 C32 81.4(3) . . . . ?
C34 C29 Co1 C32 -159.3(5) . . . . ?
C33 C29 Co1 C31 -80.9(3) . . . . ?
C30 C29 Co1 C31 37.3(3) . . . . ?
C34 C29 Co1 C31 156.5(5) . . . . ?
C30 C29 Co1 C33 118.2(4) . . . . ?
C34 C29 Co1 C33 -122.6(6) . . . . ?
C33 C29 Co1 S1 146.0(3) . . . . ?
C30 C29 Co1 S1 -95.8(3) . . . . ?
C34 C29 Co1 S1 23.4(4) . . . . ?
C33 C29 Co1 S2 53.4(3) . . . . ?
C30 C29 Co1 S2 171.6(2) . . . . ?
C34 C29 Co1 S2 -69.1(5) . . . . ?
C29 C33 Co1 C4 137.9(4) . . . . ?
C32 C33 Co1 C4 16.6(5) . . . . ?
C38 C33 Co1 C4 -99.7(5) . . . . ?
C29 C33 Co1 C30 39.0(3) . . . . ?
C32 C33 Co1 C30 -82.3(3) . . . . ?
C38 C33 Co1 C30 161.5(5) . . . . ?
C29 C33 Co1 C32 121.3(4) . . . . ?
C38 C33 Co1 C32 -116.3(6) . . . . ?
C29 C33 Co1 C31 81.2(3) . . . . ?
C32 C33 Co1 C31 -40.1(3) . . . . ?
C38 C33 Co1 C31 -156.4(5) . . . . ?
C32 C33 Co1 C29 -121.3(4) . . . . ?
C38 C33 Co1 C29 122.5(6) . . . . ?
C29 C33 Co1 S1 -39.1(3) . . . . ?
C32 C33 Co1 S1 -160.4(2) . . . . ?
C38 C33 Co1 S1 83.4(5) . . . . ?
C29 C33 Co1 S2 -134.9(3) . . . . ?
C32 C33 Co1 S2 103.8(3) . . . . ?
C38 C33 Co1 S2 -12.5(5) . . . . ?
C13 C9 Fe1 C10 119.6(4) . . . . ?
C3 C9 Fe1 C10 -114.7(5) . . . . ?
C13 C9 Fe1 C14 -122.2(3) . . . . ?
C10 C9 Fe1 C14 118.2(3) . . . . ?
C3 C9 Fe1 C14 3.4(4) . . . . ?
C13 C9 Fe1 C18 -81.2(3) . . . . ?
C10 C9 Fe1 C18 159.2(3) . . . . ?
C3 C9 Fe1 C18 44.4(5) . . . . ?
C10 C9 Fe1 C13 -119.6(4) . . . . ?
C3 C9 Fe1 C13 125.6(5) . . . . ?
C13 C9 Fe1 C12 37.9(3) . . . . ?
C10 C9 Fe1 C12 -81.7(3) . . . . ?
C3 C9 Fe1 C12 163.6(4) . . . . ?
C13 C9 Fe1 C16 167.2(6) . . . . ?
C10 C9 Fe1 C16 47.6(7) . . . . ?
C3 C9 Fe1 C16 -67.1(8) . . . . ?
C13 C9 Fe1 C15 -164.2(3) . . . . ?
C10 C9 Fe1 C15 76.1(3) . . . . ?
C3 C9 Fe1 C15 -38.6(5) . . . . ?
C13 C9 Fe1 C17 -49.3(7) . . . . ?
C10 C9 Fe1 C17 -168.9(6) . . . . ?
C3 C9 Fe1 C17 76.4(7) . . . . ?
C13 C9 Fe1 C11 81.9(3) . . . . ?
C10 C9 Fe1 C11 -37.8(3) . . . . ?
C3 C9 Fe1 C11 -152.5(4) . . . . ?
C11 C10 Fe1 C9 -118.2(4) . . . . ?
C11 C10 Fe1 C14 162.4(3) . . . . ?
C9 C10 Fe1 C14 -79.5(3) . . . . ?
C11 C10 Fe1 C18 -169.0(5) . . . . ?
C9 C10 Fe1 C18 -50.8(6) . . . . ?
C11 C10 Fe1 C13 -80.8(3) . . . . ?
C9 C10 Fe1 C13 37.4(3) . . . . ?
C11 C10 Fe1 C12 -36.7(3) . . . . ?
C9 C10 Fe1 C12 81.4(3) . . . . ?
C11 C10 Fe1 C16 79.8(4) . . . . ?
C9 C10 Fe1 C16 -162.0(3) . . . . ?
C11 C10 Fe1 C15 120.5(3) . . . . ?
C9 C10 Fe1 C15 -121.3(3) . . . . ?
C11 C10 Fe1 C17 50.1(7) . . . . ?
C9 C10 Fe1 C17 168.3(6) . . . . ?
C9 C10 Fe1 C11 118.2(4) . . . . ?
C18 C14 Fe1 C9 119.9(3) . . . . ?
C15 C14 Fe1 C9 -120.5(3) . . . . ?
C18 C14 Fe1 C10 163.1(3) . . . . ?
C15 C14 Fe1 C10 -77.3(4) . . . . ?
C15 C14 Fe1 C18 119.7(5) . . . . ?
C18 C14 Fe1 C13 78.6(4) . . . . ?
C15 C14 Fe1 C13 -161.8(3) . . . . ?
C18 C14 Fe1 C12 48.8(8) . . . . ?
C15 C14 Fe1 C12 168.5(5) . . . . ?
C18 C14 Fe1 C16 -81.1(4) . . . . ?
C15 C14 Fe1 C16 38.5(3) . . . . ?
C18 C14 Fe1 C15 -119.7(5) . . . . ?
C18 C14 Fe1 C17 -37.5(3) . . . . ?
C15 C14 Fe1 C17 82.1(3) . . . . ?
C18 C14 Fe1 C11 -167.4(5) . . . . ?
C15 C14 Fe1 C11 -47.7(7) . . . . ?
C14 C18 Fe1 C9 -77.1(4) . . . . ?
C17 C18 Fe1 C9 162.5(3) . . . . ?
C14 C18 Fe1 C10 -39.7(7) . . . . ?
C17 C18 Fe1 C10 -160.2(5) . . . . ?
C17 C18 Fe1 C14 -120.4(5) . . . . ?
C14 C18 Fe1 C13 -120.0(3) . . . . ?
C17 C18 Fe1 C13 119.6(3) . . . . ?
C14 C18 Fe1 C12 -162.0(3) . . . . ?
C17 C18 Fe1 C12 77.5(4) . . . . ?
C14 C18 Fe1 C16 82.2(4) . . . . ?
C17 C18 Fe1 C16 -38.2(3) . . . . ?
C14 C18 Fe1 C15 38.0(3) . . . . ?
C17 C18 Fe1 C15 -82.4(4) . . . . ?
C14 C18 Fe1 C17 120.4(5) . . . . ?
C14 C18 Fe1 C11 163.8(6) . . . . ?
C17 C18 Fe1 C11 43.3(8) . . . . ?
C12 C13 Fe1 C9 119.2(4) . . . . ?
C9 C13 Fe1 C10 -38.4(3) . . . . ?
C12 C13 Fe1 C10 80.9(3) . . . . ?
C9 C13 Fe1 C14 75.5(4) . . . . ?
C12 C13 Fe1 C14 -165.3(3) . . . . ?
C9 C13 Fe1 C18 117.3(3) . . . . ?
C12 C13 Fe1 C18 -123.5(3) . . . . ?
C9 C13 Fe1 C12 -119.2(4) . . . . ?
C9 C13 Fe1 C16 -167.5(6) . . . . ?
C12 C13 Fe1 C16 -48.3(7) . . . . ?
C9 C13 Fe1 C15 40.2(7) . . . . ?
C12 C13 Fe1 C15 159.4(6) . . . . ?
C9 C13 Fe1 C17 160.3(3) . . . . ?
C12 C13 Fe1 C17 -80.5(4) . . . . ?
C9 C13 Fe1 C11 -81.6(3) . . . . ?
C12 C13 Fe1 C11 37.6(3) . . . . ?
C11 C12 Fe1 C9 81.6(3) . . . . ?
C13 C12 Fe1 C9 -37.8(3) . . . . ?
C11 C12 Fe1 C10 36.3(3) . . . . ?
C13 C12 Fe1 C10 -83.1(3) . . . . ?
C11 C12 Fe1 C14 158.9(6) . . . . ?
C13 C12 Fe1 C14 39.5(7) . . . . ?
C11 C12 Fe1 C18 -164.5(3) . . . . ?
C13 C12 Fe1 C18 76.1(4) . . . . ?
C11 C12 Fe1 C13 119.4(4) . . . . ?
C11 C12 Fe1 C16 -79.4(3) . . . . ?
C13 C12 Fe1 C16 161.2(3) . . . . ?
C11 C12 Fe1 C15 -41.3(6) . . . . ?
C13 C12 Fe1 C15 -160.7(5) . . . . ?
C11 C12 Fe1 C17 -121.7(3) . . . . ?
C13 C12 Fe1 C17 118.9(3) . . . . ?
C13 C12 Fe1 C11 -119.4(4) . . . . ?
C17 C16 Fe1 C9 159.9(6) . . . . ?
C15 C16 Fe1 C9 38.3(8) . . . . ?
C17 C16 Fe1 C10 -164.2(3) . . . . ?
C15 C16 Fe1 C10 74.2(4) . . . . ?
C17 C16 Fe1 C14 82.6(4) . . . . ?
C15 C16 Fe1 C14 -38.9(3) . . . . ?
C17 C16 Fe1 C18 39.0(4) . . . . ?
C15 C16 Fe1 C18 -82.6(4) . . . . ?
C17 C16 Fe1 C13 -43.7(8) . . . . ?
C15 C16 Fe1 C13 -165.3(6) . . . . ?
C17 C16 Fe1 C12 -79.5(4) . . . . ?
C15 C16 Fe1 C12 158.9(3) . . . . ?
C17 C16 Fe1 C15 121.6(5) . . . . ?
C15 C16 Fe1 C17 -121.6(5) . . . . ?
C17 C16 Fe1 C11 -122.1(4) . . . . ?
C15 C16 Fe1 C11 116.3(3) . . . . ?
C16 C15 Fe1 C9 -165.1(3) . . . . ?
C14 C15 Fe1 C9 77.2(4) . . . . ?
C16 C15 Fe1 C10 -122.8(3) . . . . ?
C14 C15 Fe1 C10 119.5(3) . . . . ?
C16 C15 Fe1 C14 117.8(5) . . . . ?
C16 C15 Fe1 C18 80.6(4) . . . . ?
C14 C15 Fe1 C18 -37.1(3) . . . . ?
C16 C15 Fe1 C13 165.1(6) . . . . ?
C14 C15 Fe1 C13 47.3(7) . . . . ?
C16 C15 Fe1 C12 -52.1(7) . . . . ?
C14 C15 Fe1 C12 -169.9(5) . . . . ?
C14 C15 Fe1 C16 -117.8(5) . . . . ?
C16 C15 Fe1 C17 36.2(3) . . . . ?
C14 C15 Fe1 C17 -81.5(3) . . . . ?
C16 C15 Fe1 C11 -82.3(4) . . . . ?
C14 C15 Fe1 C11 159.9(3) . . . . ?
C16 C17 Fe1 C9 -161.1(5) . . . . ?
C18 C17 Fe1 C9 -43.3(7) . . . . ?
C16 C17 Fe1 C10 40.2(8) . . . . ?
C18 C17 Fe1 C10 158.0(5) . . . . ?
C16 C17 Fe1 C14 -81.1(4) . . . . ?
C18 C17 Fe1 C14 36.7(3) . . . . ?
C16 C17 Fe1 C18 -117.8(5) . . . . ?
C16 C17 Fe1 C13 162.7(3) . . . . ?
C18 C17 Fe1 C13 -79.5(4) . . . . ?
C16 C17 Fe1 C12 119.6(4) . . . . ?
C18 C17 Fe1 C12 -122.6(3) . . . . ?
C18 C17 Fe1 C16 117.8(5) . . . . ?
C16 C17 Fe1 C15 -36.6(4) . . . . ?
C18 C17 Fe1 C15 81.1(4) . . . . ?
C16 C17 Fe1 C11 77.2(4) . . . . ?
C18 C17 Fe1 C11 -165.0(3) . . . . ?
C10 C11 Fe1 C9 39.3(3) . . . . ?
C12 C11 Fe1 C9 -82.0(3) . . . . ?
C12 C11 Fe1 C10 -121.3(4) . . . . ?
C10 C11 Fe1 C14 -41.1(7) . . . . ?
C12 C11 Fe1 C14 -162.4(5) . . . . ?
C10 C11 Fe1 C18 166.0(6) . . . . ?
C12 C11 Fe1 C18 44.7(8) . . . . ?
C10 C11 Fe1 C13 83.5(3) . . . . ?
C12 C11 Fe1 C13 -37.9(3) . . . . ?
C10 C11 Fe1 C12 121.3(4) . . . . ?
C10 C11 Fe1 C16 -118.9(3) . . . . ?
C12 C11 Fe1 C16 119.8(3) . . . . ?
C10 C11 Fe1 C15 -75.8(4) . . . . ?
C12 C11 Fe1 C15 162.9(3) . . . . ?
C10 C11 Fe1 C17 -160.7(3) . . . . ?
C12 C11 Fe1 C17 78.0(3) . . . . ?
C20 C19 Fe2 C21 -37.4(3) . . . . ?
C23 C19 Fe2 C21 83.5(4) . . . . ?
C8 C19 Fe2 C21 -162.8(5) . . . . ?
C23 C19 Fe2 C20 120.9(4) . . . . ?
C8 C19 Fe2 C20 -125.5(5) . . . . ?
C20 C19 Fe2 C28 162.2(3) . . . . ?
C23 C19 Fe2 C28 -76.9(4) . . . . ?
C8 C19 Fe2 C28 36.7(5) . . . . ?
C20 C19 Fe2 C24 118.9(3) . . . . ?
C23 C19 Fe2 C24 -120.2(4) . . . . ?
C8 C19 Fe2 C24 -6.5(5) . . . . ?
C20 C19 Fe2 C27 -157.5(5) . . . . ?
C23 C19 Fe2 C27 -36.6(7) . . . . ?
C8 C19 Fe2 C27 77.1(7) . . . . ?
C20 C19 Fe2 C23 -120.9(4) . . . . ?
C8 C19 Fe2 C23 113.7(5) . . . . ?
C20 C19 Fe2 C22 -80.1(3) . . . . ?
C23 C19 Fe2 C22 40.8(3) . . . . ?
C8 C19 Fe2 C22 154.4(5) . . . . ?
C20 C19 Fe2 C26 41.9(7) . . . . ?
C23 C19 Fe2 C26 162.8(6) . . . . ?
C8 C19 Fe2 C26 -83.5(7) . . . . ?
C20 C19 Fe2 C25 76.3(4) . . . . ?
C23 C19 Fe2 C25 -162.8(4) . . . . ?
C8 C19 Fe2 C25 -49.1(5) . . . . ?
C22 C21 Fe2 C19 -82.5(3) . . . . ?
C20 C21 Fe2 C19 38.1(3) . . . . ?
C22 C21 Fe2 C20 -120.6(4) . . . . ?
C22 C21 Fe2 C28 48.9(7) . . . . ?
C20 C21 Fe2 C28 169.5(5) . . . . ?
C22 C21 Fe2 C24 -170.7(5) . . . . ?
C20 C21 Fe2 C24 -50.1(7) . . . . ?
C22 C21 Fe2 C27 77.0(3) . . . . ?
C20 C21 Fe2 C27 -162.4(3) . . . . ?
C22 C21 Fe2 C23 -38.2(3) . . . . ?
C20 C21 Fe2 C23 82.4(3) . . . . ?
C20 C21 Fe2 C22 120.6(4) . . . . ?
C22 C21 Fe2 C26 118.6(3) . . . . ?
C20 C21 Fe2 C26 -120.8(3) . . . . ?
C22 C21 Fe2 C25 161.7(3) . . . . ?
C20 C21 Fe2 C25 -77.6(4) . . . . ?
C21 C20 Fe2 C19 -119.3(4) . . . . ?
C19 C20 Fe2 C21 119.3(4) . . . . ?
C21 C20 Fe2 C28 -168.4(6) . . . . ?
C19 C20 Fe2 C28 -49.0(7) . . . . ?
C21 C20 Fe2 C24 159.7(3) . . . . ?
C19 C20 Fe2 C24 -81.0(4) . . . . ?
C21 C20 Fe2 C27 41.0(7) . . . . ?
C19 C20 Fe2 C27 160.4(5) . . . . ?
C21 C20 Fe2 C23 -82.3(3) . . . . ?
C19 C20 Fe2 C23 37.1(3) . . . . ?
C21 C20 Fe2 C22 -36.4(3) . . . . ?
C19 C20 Fe2 C22 83.0(3) . . . . ?
C21 C20 Fe2 C26 76.8(4) . . . . ?
C19 C20 Fe2 C26 -163.9(3) . . . . ?
C21 C20 Fe2 C25 119.3(3) . . . . ?
C19 C20 Fe2 C25 -121.4(3) . . . . ?
C24 C28 Fe2 C19 -79.4(4) . . . . ?
C27 C28 Fe2 C19 160.1(3) . . . . ?
C24 C28 Fe2 C21 158.5(5) . . . . ?
C27 C28 Fe2 C21 37.9(7) . . . . ?
C24 C28 Fe2 C20 -42.3(8) . . . . ?
C27 C28 Fe2 C20 -162.8(6) . . . . ?
C27 C28 Fe2 C24 -120.5(4) . . . . ?
C24 C28 Fe2 C27 120.5(4) . . . . ?
C24 C28 Fe2 C23 -121.8(3) . . . . ?
C27 C28 Fe2 C23 117.7(3) . . . . ?
C24 C28 Fe2 C22 -166.0(3) . . . . ?
C27 C28 Fe2 C22 73.4(3) . . . . ?
C24 C28 Fe2 C26 81.4(3) . . . . ?
C27 C28 Fe2 C26 -39.1(3) . . . . ?
C24 C28 Fe2 C25 36.3(3) . . . . ?
C27 C28 Fe2 C25 -84.3(3) . . . . ?
C25 C24 Fe2 C19 -117.9(3) . . . . ?
C28 C24 Fe2 C19 120.9(3) . . . . ?
C25 C24 Fe2 C21 -37.9(7) . . . . ?
C28 C24 Fe2 C21 -159.1(5) . . . . ?
C25 C24 Fe2 C20 -74.3(4) . . . . ?
C28 C24 Fe2 C20 164.4(3) . . . . ?
C25 C24 Fe2 C28 121.2(4) . . . . ?
C25 C24 Fe2 C27 83.8(3) . . . . ?
C28 C24 Fe2 C27 -37.4(3) . . . . ?
C25 C24 Fe2 C23 -161.3(3) . . . . ?
C28 C24 Fe2 C23 77.5(3) . . . . ?
C25 C24 Fe2 C22 161.7(6) . . . . ?
C28 C24 Fe2 C22 40.4(8) . . . . ?
C25 C24 Fe2 C26 40.4(3) . . . . ?
C28 C24 Fe2 C26 -80.9(3) . . . . ?
C28 C24 Fe2 C25 -121.2(4) . . . . ?
C26 C27 Fe2 C19 -169.6(5) . . . . ?
C28 C27 Fe2 C19 -53.6(7) . . . . ?
C26 C27 Fe2 C21 79.2(4) . . . . ?
C28 C27 Fe2 C21 -164.8(3) . . . . ?
C26 C27 Fe2 C20 49.7(7) . . . . ?
C28 C27 Fe2 C20 165.7(5) . . . . ?
C26 C27 Fe2 C28 -116.0(4) . . . . ?
C26 C27 Fe2 C24 -78.8(4) . . . . ?
C28 C27 Fe2 C24 37.2(3) . . . . ?
C26 C27 Fe2 C23 163.0(3) . . . . ?
C28 C27 Fe2 C23 -81.1(4) . . . . ?
C26 C27 Fe2 C22 119.5(3) . . . . ?
C28 C27 Fe2 C22 -124.6(3) . . . . ?
C28 C27 Fe2 C26 116.0(4) . . . . ?
C26 C27 Fe2 C25 -35.9(3) . . . . ?
C28 C27 Fe2 C25 80.1(3) . . . . ?
C22 C23 Fe2 C19 115.9(5) . . . . ?
C19 C23 Fe2 C21 -80.3(3) . . . . ?
C22 C23 Fe2 C21 35.7(3) . . . . ?
C19 C23 Fe2 C20 -37.1(3) . . . . ?
C22 C23 Fe2 C20 78.9(3) . . . . ?
C19 C23 Fe2 C28 122.4(3) . . . . ?
C22 C23 Fe2 C28 -121.6(3) . . . . ?
C19 C23 Fe2 C24 80.0(4) . . . . ?
C22 C23 Fe2 C24 -164.1(3) . . . . ?
C19 C23 Fe2 C27 165.9(3) . . . . ?
C22 C23 Fe2 C27 -78.2(4) . . . . ?
C19 C23 Fe2 C22 -115.9(5) . . . . ?
C19 C23 Fe2 C26 -164.1(5) . . . . ?
C22 C23 Fe2 C26 -48.1(7) . . . . ?
C19 C23 Fe2 C25 44.5(8) . . . . ?
C22 C23 Fe2 C25 160.4(6) . . . . ?
C21 C22 Fe2 C19 81.6(3) . . . . ?
C23 C22 Fe2 C19 -39.5(3) . . . . ?
C23 C22 Fe2 C21 -121.0(4) . . . . ?
C21 C22 Fe2 C20 37.0(3) . . . . ?
C23 C22 Fe2 C20 -84.0(3) . . . . ?
C21 C22 Fe2 C28 -160.4(3) . . . . ?
C23 C22 Fe2 C28 78.6(3) . . . . ?
C21 C22 Fe2 C24 168.5(6) . . . . ?
C23 C22 Fe2 C24 47.5(7) . . . . ?
C21 C22 Fe2 C27 -119.1(3) . . . . ?
C23 C22 Fe2 C27 119.8(3) . . . . ?
C21 C22 Fe2 C23 121.0(4) . . . . ?
C21 C22 Fe2 C26 -78.1(3) . . . . ?
C23 C22 Fe2 C26 160.8(3) . . . . ?
C21 C22 Fe2 C25 -41.7(6) . . . . ?
C23 C22 Fe2 C25 -162.8(5) . . . . ?
C27 C26 Fe2 C19 169.7(5) . . . . ?
C25 C26 Fe2 C19 45.8(7) . . . . ?
C27 C26 Fe2 C21 -117.8(3) . . . . ?
C25 C26 Fe2 C21 118.3(3) . . . . ?
C27 C26 Fe2 C20 -159.0(3) . . . . ?
C25 C26 Fe2 C20 77.1(4) . . . . ?
C27 C26 Fe2 C28 40.2(3) . . . . ?
C25 C26 Fe2 C28 -83.7(3) . . . . ?
C27 C26 Fe2 C24 85.0(3) . . . . ?
C25 C26 Fe2 C24 -38.9(3) . . . . ?
C25 C26 Fe2 C27 -123.9(5) . . . . ?
C27 C26 Fe2 C23 -41.3(8) . . . . ?
C25 C26 Fe2 C23 -165.2(6) . . . . ?
C27 C26 Fe2 C22 -77.2(4) . . . . ?
C25 C26 Fe2 C22 158.9(3) . . . . ?
C27 C26 Fe2 C25 123.9(5) . . . . ?
C24 C25 Fe2 C19 81.3(4) . . . . ?
C26 C25 Fe2 C19 -162.6(3) . . . . ?
C24 C25 Fe2 C21 164.2(3) . . . . ?
C26 C25 Fe2 C21 -79.7(4) . . . . ?
C24 C25 Fe2 C20 123.0(3) . . . . ?
C26 C25 Fe2 C20 -120.9(3) . . . . ?
C24 C25 Fe2 C28 -37.1(3) . . . . ?
C26 C25 Fe2 C28 79.0(3) . . . . ?
C26 C25 Fe2 C24 116.1(4) . . . . ?
C24 C25 Fe2 C27 -81.4(3) . . . . ?
C26 C25 Fe2 C27 34.7(3) . . . . ?
C24 C25 Fe2 C23 48.1(8) . . . . ?
C26 C25 Fe2 C23 164.2(6) . . . . ?
C24 C25 Fe2 C22 -166.1(4) . . . . ?
C26 C25 Fe2 C22 -50.0(6) . . . . ?
C24 C25 Fe2 C26 -116.1(4) . . . . ?
C6 C7 S1 C1 -97.5(4) . . . . ?
C8 C7 S1 C1 94.0(4) . . . . ?
C6 C7 S1 Co1 18.6(4) . . . . ?
C8 C7 S1 Co1 -149.9(3) . . . . ?
C2 C1 S1 C7 122.2(3) . . . . ?
B4 C1 S1 C7 -25.3(4) . . . . ?
B5 C1 S1 C7 -102.0(4) . . . . ?
B6 C1 S1 C7 -172.0(3) . . . . ?
B3 C1 S1 C7 51.5(4) . . . . ?
C2 C1 S1 Co1 3.2(3) . . . . ?
B4 C1 S1 Co1 -144.2(3) . . . . ?
B5 C1 S1 Co1 139.0(3) . . . . ?
B6 C1 S1 Co1 69.0(3) . . . . ?
B3 C1 S1 Co1 -67.5(3) . . . . ?
C4 Co1 S1 C7 -26.2(2) . . . . ?
C30 Co1 S1 C7 88.8(2) . . . . ?
C32 Co1 S1 C7 123.6(3) . . . . ?
C31 Co1 S1 C7 73.1(2) . . . . ?
C29 Co1 S1 C7 129.2(2) . . . . ?
C33 Co1 S1 C7 152.1(2) . . . . ?
S2 Co1 S1 C7 -112.58(17) . . . . ?
C4 Co1 S1 C1 86.6(2) . . . . ?
C30 Co1 S1 C1 -158.3(2) . . . . ?
C32 Co1 S1 C1 -123.5(3) . . . . ?
C31 Co1 S1 C1 -174.1(2) . . . . ?
C29 Co1 S1 C1 -117.9(2) . . . . ?
C33 Co1 S1 C1 -95.0(2) . . . . ?
S2 Co1 S1 C1 0.28(17) . . . . ?
C1 C2 S2 Co1 6.1(4) . . . . ?
B6 C2 S2 Co1 -65.8(3) . . . . ?
B7 C2 S2 Co1 -138.5(3) . . . . ?
B8 C2 S2 Co1 145.5(3) . . . . ?
B3 C2 S2 Co1 76.3(3) . . . . ?
C4 Co1 S2 C2 -97.7(2) . . . . ?
C30 Co1 S2 C2 99.9(4) . . . . ?
C32 Co1 S2 C2 154.3(2) . . . . ?
C31 Co1 S2 C2 169.9(3) . . . . ?
C29 Co1 S2 C2 85.2(2) . . . . ?
C33 Co1 S2 C2 114.8(2) . . . . ?
S1 Co1 S2 C2 -3.21(16) . . . . ?
