
data_global


data_1
#TrackingRef 'jqb1.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H51 B20 P2 Ru S3'
_chemical_formula_weight         1007.23

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.2601(9)
_cell_length_b                   20.5822(15)
_cell_length_c                   23.0476(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.272(3)
_cell_angle_gamma                90.00
_cell_volume                     5042.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    4849
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      23.81

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2052
_exptl_absorpt_coefficient_mu    0.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.927
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_process_details   SADABS;Bruker,2000

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26685
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0704
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9824
_reflns_number_gt                6359
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0558P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9824
_refine_ls_number_parameters     595
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.1180
_refine_ls_wR_factor_gt          0.1020
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 1.0408(4) 0.8751(2) 0.6188(2) 0.0466(11) Uani 1 1 d . . .
H03A H 1.0809 0.8440 0.6003 0.056 Uiso 1 1 d R . .
B4 B 1.0513(4) 0.8672(2) 0.6964(2) 0.0511(12) Uani 1 1 d . . .
H04A H 1.0967 0.8321 0.7215 0.061 Uiso 1 1 d R . .
B5 B 0.9094(5) 0.8951(3) 0.7038(2) 0.0576(14) Uani 1 1 d . . .
H05A H 0.8743 0.8758 0.7325 0.069 Uiso 1 1 d R . .
B6 B 0.8099(5) 0.9214(2) 0.6306(2) 0.0525(13) Uani 1 1 d . . .
H06A H 0.7201 0.9169 0.6175 0.063 Uiso 1 1 d R . .
B7 B 0.8844(5) 0.9852(2) 0.6063(2) 0.0610(15) Uani 1 1 d . . .
H07A H 0.8357 1.0178 0.5789 0.073 Uiso 1 1 d R . .
B8 B 1.0266(5) 0.9579(2) 0.5993(2) 0.0620(15) Uani 1 1 d . . .
H08A H 1.0545 0.9758 0.5676 0.074 Uiso 1 1 d R . .
B9 B 1.1236(5) 0.9328(2) 0.6733(2) 0.0617(15) Uani 1 1 d . . .
H09A H 1.2136 0.9361 0.6856 0.074 Uiso 1 1 d R . .
B10 B 1.0421(5) 0.9460(3) 0.7248(2) 0.0658(16) Uani 1 1 d . . .
H01A H 1.0855 0.9567 0.7670 0.079 Uiso 1 1 d R . .
B11 B 0.8945(5) 0.9793(3) 0.6837(2) 0.0660(16) Uani 1 1 d . . .
H01B H 0.8546 1.0101 0.7026 0.079 Uiso 1 1 d R . .
B12 B 1.0280(5) 1.0019(3) 0.6652(2) 0.0707(17) Uani 1 1 d . . .
H01C H 1.0630 1.0448 0.6735 0.085 Uiso 1 1 d R . .
B13 B 1.1449(5) 0.6706(3) 0.5603(2) 0.0596(14) Uani 1 1 d . . .
H01D H 1.1551 0.7054 0.5346 0.072 Uiso 1 1 d R . .
B14 B 1.0916(5) 0.5938(2) 0.5309(2) 0.0610(14) Uani 1 1 d . . .
H01E H 1.0714 0.5841 0.4880 0.073 Uiso 1 1 d R . .
B15 B 1.0013(5) 0.5614(2) 0.5724(2) 0.0585(14) Uani 1 1 d . . .
H01F H 0.9309 0.5338 0.5523 0.070 Uiso 1 1 d R . .
B16 B 0.9951(5) 0.6181(2) 0.6283(2) 0.0549(13) Uani 1 1 d . . .
H01G H 0.9224 0.6235 0.6408 0.066 Uiso 1 1 d R . .
B17 B 1.1505(5) 0.6288(3) 0.6787(2) 0.0625(15) Uani 1 1 d . . .
H01H H 1.1662 0.6406 0.7209 0.075 Uiso 1 1 d R . .
B18 B 1.2412(5) 0.6606(3) 0.6377(2) 0.0669(16) Uani 1 1 d . . .
H01I H 1.3079 0.6902 0.6578 0.080 Uiso 1 1 d R . .
B19 B 1.2461(5) 0.6037(3) 0.5811(2) 0.0744(17) Uani 1 1 d . . .
H01J H 1.3175 0.5989 0.5674 0.089 Uiso 1 1 d R . .
B20 B 1.1579(6) 0.5370(3) 0.5886(2) 0.0725(17) Uani 1 1 d . . .
H02A H 1.1795 0.4941 0.5793 0.087 Uiso 1 1 d R . .
B21 B 1.0961(6) 0.5508(3) 0.6486(2) 0.0677(16) Uani 1 1 d . . .
H02B H 1.0850 0.5159 0.6739 0.081 Uiso 1 1 d R . .
B22 B 1.2488(6) 0.5784(3) 0.6549(2) 0.0742(17) Uani 1 1 d . . .
H02C H 1.3222 0.5592 0.6839 0.089 Uiso 1 1 d R . .
C1 C 0.9116(3) 0.85632(18) 0.63878(16) 0.0419(9) Uani 1 1 d . . .
C2 C 0.8964(4) 0.90866(17) 0.58322(15) 0.0411(9) Uani 1 1 d . . .
C3 C 1.0010(4) 0.64218(17) 0.55781(15) 0.0411(9) Uani 1 1 d . . .
C4 C 1.0874(4) 0.6809(2) 0.61972(17) 0.0574(12) Uani 1 1 d . . .
H4B H 1.0671 0.7241 0.6291 0.069 Uiso 1 1 d R . .
C5 C 0.9870(4) 0.81322(18) 0.42147(17) 0.0465(10) Uani 1 1 d . . .
H4A H 0.9941 0.8177 0.4626 0.056 Uiso 1 1 calc R . .
C6 C 1.0919(4) 0.8231(2) 0.4035(2) 0.0588(12) Uani 1 1 d . . .
H1A H 1.1682 0.8344 0.4328 0.071 Uiso 1 1 calc R . .
C7 C 1.0847(5) 0.8165(2) 0.3438(2) 0.0616(12) Uani 1 1 d . . .
H20A H 1.1555 0.8232 0.3323 0.074 Uiso 1 1 calc R . .
C8 C 0.9733(5) 0.8001(2) 0.3012(2) 0.0633(12) Uani 1 1 d . . .
H35A H 0.9684 0.7952 0.2604 0.076 Uiso 1 1 calc R . .
C9 C 0.8682(4) 0.79070(19) 0.31741(17) 0.0505(11) Uani 1 1 d . . .
H22A H 0.7925 0.7801 0.2873 0.061 Uiso 1 1 calc R . .
C10 C 0.8728(4) 0.79689(17) 0.37910(15) 0.0373(9) Uani 1 1 d . . .
C11 C 0.7220(4) 0.66292(18) 0.34092(18) 0.0509(11) Uani 1 1 d . . .
H12A H 0.7985 0.6550 0.3716 0.061 Uiso 1 1 calc R . .
C12 C 0.6564(4) 0.71982(16) 0.34203(16) 0.0418(9) Uani 1 1 d . . .
C13 C 0.5421(4) 0.73026(19) 0.29591(18) 0.0582(12) Uani 1 1 d . . .
H21A H 0.4963 0.7679 0.2958 0.070 Uiso 1 1 calc R . .
C14 C 0.4967(5) 0.6841(2) 0.2500(2) 0.0763(16) Uani 1 1 d . . .
H37A H 0.4194 0.6909 0.2197 0.092 Uiso 1 1 calc R . .
C15 C 0.5625(5) 0.6293(2) 0.2485(2) 0.0740(15) Uani 1 1 d . . .
H54A H 0.5319 0.5998 0.2165 0.089 Uiso 1 1 calc R . .
C16 C 0.6740(5) 0.6177(2) 0.2942(2) 0.0628(13) Uani 1 1 d . . .
H8A H 0.7178 0.5794 0.2940 0.075 Uiso 1 1 calc R . .
C17 C 0.6292(3) 0.85266(17) 0.37225(15) 0.0357(8) Uani 1 1 d . . .
C18 C 0.6669(4) 0.90738(18) 0.34834(17) 0.0495(10) Uani 1 1 d . . .
H24A H 0.7466 0.9093 0.3446 0.059 Uiso 1 1 calc R . .
C19 C 0.5856(5) 0.9592(2) 0.3300(2) 0.0692(13) Uani 1 1 d . . .
H26A H 0.6110 0.9957 0.3135 0.083 Uiso 1 1 calc R . .
C20 C 0.4680(5) 0.9579(2) 0.3357(2) 0.0644(13) Uani 1 1 d . . .
H25A H 0.4143 0.9933 0.3231 0.077 Uiso 1 1 calc R . .
C21 C 0.4311(4) 0.9048(2) 0.35966(19) 0.0581(11) Uani 1 1 d . . .
H18A H 0.3515 0.9035 0.3636 0.070 Uiso 1 1 calc R . .
C22 C 0.5114(4) 0.85253(18) 0.37838(18) 0.0494(10) Uani 1 1 d . . .
H6A H 0.4856 0.8165 0.3955 0.059 Uiso 1 1 calc R . .
C23 C 0.5394(4) 0.6377(2) 0.42399(18) 0.0556(11) Uani 1 1 d . . .
H19A H 0.6249 0.6281 0.4384 0.067 Uiso 1 1 calc R . .
C24 C 0.4939(4) 0.68751(19) 0.45108(18) 0.0497(11) Uani 1 1 d . . .
C25 C 0.3672(4) 0.7029(2) 0.4270(2) 0.0667(13) Uani 1 1 d . . .
H33A H 0.3346 0.7370 0.4435 0.080 Uiso 1 1 calc R . .
C26 C 0.2889(5) 0.6671(3) 0.3782(3) 0.0910(19) Uani 1 1 d . . .
H10C H 0.2037 0.6772 0.3625 0.109 Uiso 1 1 calc R . .
C27 C 0.3348(6) 0.6179(3) 0.3534(2) 0.0870(19) Uani 1 1 d . . .
H41A H 0.2811 0.5946 0.3206 0.104 Uiso 1 1 calc R . .
C28 C 0.4602(5) 0.6019(2) 0.3758(2) 0.0747(15) Uani 1 1 d . . .
H40A H 0.4914 0.5675 0.3590 0.090 Uiso 1 1 calc R . .
C29 C 0.6408(5) 0.6050(2) 0.5691(2) 0.0655(13) Uani 1 1 d . . .
H38A H 0.6418 0.5926 0.5305 0.079 Uiso 1 1 calc R . .
C30 C 0.6214(4) 0.66924(19) 0.58003(17) 0.0470(10) Uani 1 1 d . . .
C31 C 0.6220(4) 0.6871(2) 0.63754(18) 0.0613(12) Uani 1 1 d . . .
H31A H 0.6126 0.7305 0.6462 0.074 Uiso 1 1 calc R . .
C32 C 0.6369(5) 0.6400(3) 0.6831(2) 0.0785(16) Uani 1 1 d . . .
H47A H 0.6335 0.6519 0.7215 0.094 Uiso 1 1 calc R . .
C33 C 0.6560(5) 0.5774(3) 0.6715(2) 0.0857(17) Uani 1 1 d . . .
H10B H 0.6675 0.5464 0.7023 0.103 Uiso 1 1 calc R . .
C34 C 0.6586(6) 0.5589(2) 0.6145(2) 0.0884(17) Uani 1 1 d . . .
H53A H 0.6723 0.5157 0.6068 0.106 Uiso 1 1 calc R . .
C35 C 0.4079(4) 0.7769(2) 0.5597(2) 0.0631(12) Uani 1 1 d . . .
H13A H 0.3972 0.7337 0.5685 0.076 Uiso 1 1 calc R . .
C36 C 0.3313(5) 0.8236(3) 0.5716(2) 0.0759(15) Uani 1 1 d . . .
H17A H 0.2706 0.8117 0.5888 0.091 Uiso 1 1 calc R . .
C37 C 0.3443(5) 0.8876(3) 0.5581(2) 0.0726(14) Uani 1 1 d . . .
H32A H 0.2931 0.9192 0.5664 0.087 Uiso 1 1 calc R . .
C38 C 0.4326(4) 0.9044(2) 0.5326(2) 0.0695(14) Uani 1 1 d . . .
H45A H 0.4408 0.9475 0.5226 0.083 Uiso 1 1 calc R . .
C39 C 0.5111(4) 0.8574(2) 0.52125(18) 0.0539(11) Uani 1 1 d . . .
H10A H 0.5719 0.8697 0.5042 0.065 Uiso 1 1 calc R . .
C40 C 0.4999(4) 0.79306(19) 0.53493(17) 0.0440(9) Uani 1 1 d . . .
P1 P 0.73116(9) 0.78211(4) 0.39994(4) 0.0356(2) Uani 1 1 d . . .
P2 P 0.59886(9) 0.72979(5) 0.51804(4) 0.0402(2) Uani 1 1 d . . .
Ru1 Ru 0.78434(3) 0.771618(13) 0.510537(12) 0.03348(10) Uani 1 1 d . . .
S1 S 0.81474(11) 0.88155(5) 0.50637(4) 0.0471(3) Uani 1 1 d . . .
S2 S 0.84194(10) 0.77865(5) 0.61877(4) 0.0465(3) Uani 1 1 d . . .
S3 S 0.86665(11) 0.67533(5) 0.49812(4) 0.0503(3) Uani 1 1 d . . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C2 1.707(6) . ?
B3 C1 1.709(6) . ?
B3 B8 1.755(7) . ?
B3 B9 1.755(6) . ?
B3 B4 1.762(7) . ?
B3 H03A 0.9600 . ?
B4 C1 1.706(5) . ?
B4 B9 1.748(7) . ?
B4 B5 1.758(7) . ?
B4 B10 1.763(7) . ?
B4 H04A 0.9600 . ?
B5 C1 1.705(6) . ?
B5 B10 1.757(7) . ?
B5 B6 1.773(6) . ?
B5 B11 1.788(8) . ?
B5 H05A 0.9601 . ?
B6 C2 1.706(6) . ?
B6 C1 1.731(6) . ?
B6 B7 1.748(8) . ?
B6 B11 1.749(7) . ?
B6 H06A 0.9601 . ?
B7 C2 1.682(6) . ?
B7 B8 1.753(8) . ?
B7 B11 1.755(7) . ?
B7 B12 1.769(7) . ?
B7 H07A 0.9600 . ?
B8 C2 1.719(6) . ?
B8 B12 1.764(7) . ?
B8 B9 1.770(7) . ?
B8 H08A 0.9599 . ?
B9 B10 1.746(8) . ?
B9 B12 1.756(7) . ?
B9 H09A 0.9600 . ?
B10 B11 1.758(7) . ?
B10 B12 1.759(8) . ?
B10 H01A 0.9600 . ?
B11 B12 1.756(9) . ?
B11 H01B 0.9599 . ?
B12 H01C 0.9600 . ?
B13 C3 1.705(6) . ?
B13 C4 1.710(7) . ?
B13 B14 1.745(7) . ?
B13 B19 1.751(8) . ?
B13 B18 1.767(7) . ?
B13 H01D 0.9602 . ?
B14 C3 1.683(6) . ?
B14 B15 1.743(8) . ?
B14 B20 1.743(7) . ?
B14 B19 1.754(8) . ?
B14 H01E 0.9601 . ?
B15 C3 1.697(6) . ?
B15 B21 1.741(7) . ?
B15 B20 1.751(8) . ?
B15 B16 1.757(7) . ?
B15 H01F 0.9600 . ?
B16 C4 1.710(6) . ?
B16 C3 1.721(6) . ?
B16 B21 1.754(7) . ?
B16 B17 1.765(7) . ?
B16 H01G 0.9599 . ?
B17 C4 1.692(6) . ?
B17 B22 1.732(8) . ?
B17 B18 1.733(8) . ?
B17 B21 1.775(8) . ?
B17 H01H 0.9601 . ?
B18 C4 1.695(7) . ?
B18 B22 1.734(8) . ?
B18 B19 1.766(8) . ?
B18 H01I 0.9598 . ?
B19 B20 1.736(9) . ?
B19 B22 1.770(8) . ?
B19 H01J 0.9600 . ?
B20 B22 1.754(8) . ?
B20 B21 1.763(8) . ?
B20 H02A 0.9600 . ?
B21 B22 1.770(9) . ?
B21 H02B 0.9599 . ?
B22 H02C 0.9600 . ?
C1 C2 1.638(5) . ?
C1 S2 1.773(4) . ?
C2 S1 1.794(3) . ?
C3 C4 1.643(5) . ?
C3 S3 1.809(4) . ?
C4 H4B 0.9601 . ?
C5 C10 1.375(5) . ?
C5 C6 1.390(6) . ?
C5 H4A 0.9300 . ?
C6 C7 1.357(6) . ?
C6 H1A 0.9300 . ?
C7 C8 1.356(6) . ?
C7 H20A 0.9300 . ?
C8 C9 1.368(6) . ?
C8 H35A 0.9300 . ?
C9 C10 1.411(5) . ?
C9 H22A 0.9300 . ?
C10 P1 1.837(4) . ?
C11 C12 1.389(5) . ?
C11 C16 1.392(5) . ?
C11 H12A 0.9300 . ?
C12 C13 1.390(5) . ?
C12 P1 1.842(3) . ?
C13 C14 1.388(5) . ?
C13 H21A 0.9300 . ?
C14 C15 1.356(6) . ?
C14 H37A 0.9300 . ?
C15 C16 1.368(6) . ?
C15 H54A 0.9300 . ?
C16 H8A 0.9300 . ?
C17 C22 1.380(5) . ?
C17 C18 1.381(5) . ?
C17 P1 1.830(4) . ?
C18 C19 1.377(5) . ?
C18 H24A 0.9300 . ?
C19 C20 1.373(6) . ?
C19 H26A 0.9300 . ?
C20 C21 1.351(6) . ?
C20 H25A 0.9300 . ?
C21 C22 1.380(5) . ?
C21 H18A 0.9300 . ?
C22 H6A 0.9300 . ?
C23 C24 1.383(6) . ?
C23 C28 1.385(5) . ?
C23 H19A 0.9300 . ?
C24 C25 1.387(6) . ?
C24 P2 1.825(4) . ?
C25 C26 1.389(6) . ?
C25 H33A 0.9300 . ?
C26 C27 1.348(7) . ?
C26 H10C 0.9300 . ?
C27 C28 1.374(7) . ?
C27 H41A 0.9300 . ?
C28 H40A 0.9300 . ?
C29 C30 1.377(5) . ?
C29 C34 1.377(6) . ?
C29 H38A 0.9300 . ?
C30 C31 1.373(5) . ?
C30 P2 1.849(4) . ?
C31 C32 1.397(6) . ?
C31 H31A 0.9300 . ?
C32 C33 1.348(7) . ?
C32 H47A 0.9300 . ?
C33 C34 1.377(7) . ?
C33 H10B 0.9300 . ?
C34 H53A 0.9300 . ?
C35 C36 1.378(6) . ?
C35 C40 1.378(6) . ?
C35 H13A 0.9300 . ?
C36 C37 1.372(7) . ?
C36 H17A 0.9300 . ?
C37 C38 1.357(7) . ?
C37 H32A 0.9300 . ?
C38 C39 1.391(6) . ?
C38 H45A 0.9300 . ?
C39 C40 1.377(5) . ?
C39 H10A 0.9300 . ?
C40 P2 1.837(4) . ?
P1 Ru1 2.4279(9) . ?
P2 Ru1 2.3177(10) . ?
Ru1 S3 2.2457(10) . ?
Ru1 S1 2.2951(10) . ?
Ru1 S2 2.3656(10) . ?

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
C2 B3 C1 57.3(2) . . ?
C2 B3 B8 59.5(3) . . ?
C1 B3 B8 105.9(3) . . ?
C2 B3 B9 105.5(3) . . ?
C1 B3 B9 105.0(3) . . ?
B8 B3 B9 60.6(3) . . ?
C2 B3 B4 105.0(3) . . ?
C1 B3 B4 58.9(2) . . ?
B8 B3 B4 108.6(3) . . ?
B9 B3 B4 59.6(3) . . ?
C2 B3 H03A 124.7 . . ?
C1 B3 H03A 122.3 . . ?
B8 B3 H03A 123.4 . . ?
B9 B3 H03A 123.5 . . ?
B4 B3 H03A 120.3 . . ?
C1 B4 B9 105.4(3) . . ?
C1 B4 B5 58.9(2) . . ?
B9 B4 B5 107.9(4) . . ?
C1 B4 B3 59.0(2) . . ?
B9 B4 B3 60.0(3) . . ?
B5 B4 B3 108.0(3) . . ?
C1 B4 B10 104.9(3) . . ?
B9 B4 B10 59.6(3) . . ?
B5 B4 B10 59.9(3) . . ?
B3 B4 B10 107.4(4) . . ?
C1 B4 H04A 122.7 . . ?
B9 B4 H04A 123.8 . . ?
B5 B4 H04A 120.5 . . ?
B3 B4 H04A 121.6 . . ?
B10 B4 H04A 123.6 . . ?
C1 B5 B10 105.3(4) . . ?
C1 B5 B4 59.0(2) . . ?
B10 B5 B4 60.2(3) . . ?
C1 B5 B6 59.7(2) . . ?
B10 B5 B6 107.0(4) . . ?
B4 B5 B6 108.5(3) . . ?
C1 B5 B11 104.7(3) . . ?
B10 B5 B11 59.4(3) . . ?
B4 B5 B11 107.6(4) . . ?
B6 B5 B11 58.8(3) . . ?
C1 B5 H05A 122.8 . . ?
B10 B5 H05A 124.1 . . ?
B4 B5 H05A 121.7 . . ?
B6 B5 H05A 120.5 . . ?
B11 B5 H05A 123.6 . . ?
C2 B6 C1 56.9(2) . . ?
C2 B6 B7 58.3(3) . . ?
C1 B6 B7 104.2(3) . . ?
C2 B6 B11 105.0(4) . . ?
C1 B6 B11 105.3(3) . . ?
B7 B6 B11 60.3(3) . . ?
C2 B6 B5 104.3(3) . . ?
C1 B6 B5 58.2(2) . . ?
B7 B6 B5 108.4(4) . . ?
B11 B6 B5 61.0(3) . . ?
C2 B6 H06A 123.2 . . ?
C1 B6 H06A 123.4 . . ?
B7 B6 H06A 122.6 . . ?
B11 B6 H06A 124.0 . . ?
B5 B6 H06A 122.6 . . ?
C2 B7 B6 59.6(3) . . ?
C2 B7 B8 60.0(3) . . ?
B6 B7 B8 109.7(3) . . ?
C2 B7 B11 105.8(4) . . ?
B6 B7 B11 59.9(3) . . ?
B8 B7 B11 108.4(4) . . ?
C2 B7 B12 106.1(3) . . ?
B6 B7 B12 108.3(4) . . ?
B8 B7 B12 60.1(3) . . ?
B11 B7 B12 59.8(3) . . ?
C2 B7 H07A 122.3 . . ?
B6 B7 H07A 120.4 . . ?
B8 B7 H07A 120.3 . . ?
B11 B7 H07A 123.3 . . ?
B12 B7 H07A 123.3 . . ?
C2 B8 B7 57.9(3) . . ?
C2 B8 B3 58.9(2) . . ?
B7 B8 B3 107.3(4) . . ?
C2 B8 B12 104.7(4) . . ?
B7 B8 B12 60.4(3) . . ?
B3 B8 B12 107.8(4) . . ?
C2 B8 B9 104.3(4) . . ?
B7 B8 B9 107.3(4) . . ?
B3 B8 B9 59.7(3) . . ?
B12 B8 B9 59.6(3) . . ?
C2 B8 H08A 122.2 . . ?
B7 B8 H08A 118.9 . . ?
B3 B8 H08A 122.9 . . ?
B12 B8 H08A 123.0 . . ?
B9 B8 H08A 126.3 . . ?
B10 B9 B4 60.6(3) . . ?
B10 B9 B3 108.5(4) . . ?
B4 B9 B3 60.4(3) . . ?
B10 B9 B12 60.3(3) . . ?
B4 B9 B12 109.1(4) . . ?
B3 B9 B12 108.1(4) . . ?
B10 B9 B8 108.3(4) . . ?
B4 B9 B8 108.5(3) . . ?
B3 B9 B8 59.7(3) . . ?
B12 B9 B8 60.0(3) . . ?
B10 B9 H09A 121.9 . . ?
B4 B9 H09A 121.1 . . ?
B3 B9 H09A 121.2 . . ?
B12 B9 H09A 121.6 . . ?
B8 B9 H09A 121.3 . . ?
B9 B10 B5 108.1(3) . . ?
B9 B10 B11 108.1(4) . . ?
B5 B10 B11 61.2(3) . . ?
B9 B10 B12 60.1(3) . . ?
B5 B10 B12 109.0(4) . . ?
B11 B10 B12 59.9(3) . . ?
B9 B10 B4 59.8(3) . . ?
B5 B10 B4 59.9(3) . . ?
B11 B10 B4 108.7(3) . . ?
B12 B10 B4 108.3(4) . . ?
B9 B10 H01A 121.3 . . ?
B5 B10 H01A 121.3 . . ?
B11 B10 H01A 122.0 . . ?
B12 B10 H01A 121.7 . . ?
B4 B10 H01A 121.0 . . ?
B6 B11 B7 59.8(3) . . ?
B6 B11 B12 108.8(4) . . ?
B7 B11 B12 60.5(3) . . ?
B6 B11 B10 108.0(4) . . ?
B7 B11 B10 107.9(4) . . ?
B12 B11 B10 60.1(3) . . ?
B6 B11 B5 60.1(3) . . ?
B7 B11 B5 107.4(3) . . ?
B12 B11 B5 107.8(4) . . ?
B10 B11 B5 59.4(3) . . ?
B6 B11 H01B 122.6 . . ?
B7 B11 H01B 122.2 . . ?
B12 B11 H01B 120.2 . . ?
B10 B11 H01B 121.0 . . ?
B5 B11 H01B 122.7 . . ?
B11 B12 B9 107.7(4) . . ?
B11 B12 B10 60.0(3) . . ?
B9 B12 B10 59.5(3) . . ?
B11 B12 B8 107.9(4) . . ?
B9 B12 B8 60.4(3) . . ?
B10 B12 B8 108.0(4) . . ?
B11 B12 B7 59.7(3) . . ?
B9 B12 B7 107.3(3) . . ?
B10 B12 B7 107.2(4) . . ?
B8 B12 B7 59.5(3) . . ?
B11 B12 H01C 121.6 . . ?
B9 B12 H01C 121.8 . . ?
B10 B12 H01C 121.5 . . ?
B8 B12 H01C 122.0 . . ?
B7 B12 H01C 122.9 . . ?
C3 B13 C4 57.5(3) . . ?
C3 B13 B14 58.4(3) . . ?
C4 B13 B14 104.5(4) . . ?
C3 B13 B19 105.4(4) . . ?
C4 B13 B19 105.2(4) . . ?
B14 B13 B19 60.2(3) . . ?
C3 B13 B18 104.7(4) . . ?
C4 B13 B18 58.3(3) . . ?
B14 B13 B18 107.7(4) . . ?
B19 B13 B18 60.3(3) . . ?
C3 B13 H01D 122.8 . . ?
C4 B13 H01D 123.8 . . ?
B14 B13 H01D 122.1 . . ?
B19 B13 H01D 123.8 . . ?
B18 B13 H01D 123.4 . . ?
C3 B14 B15 59.3(3) . . ?
C3 B14 B20 105.9(4) . . ?
B15 B14 B20 60.3(3) . . ?
C3 B14 B13 59.6(3) . . ?
B15 B14 B13 108.8(4) . . ?
B20 B14 B13 107.8(4) . . ?
C3 B14 B19 106.2(3) . . ?
B15 B14 B19 108.3(4) . . ?
B20 B14 B19 59.5(3) . . ?
B13 B14 B19 60.1(3) . . ?
C3 B14 H01E 122.4 . . ?
B15 B14 H01E 120.2 . . ?
B20 B14 H01E 122.9 . . ?
B13 B14 H01E 121.4 . . ?
B19 B14 H01E 123.4 . . ?
C3 B15 B21 106.4(3) . . ?
C3 B15 B14 58.6(3) . . ?
B21 B15 B14 109.0(4) . . ?
C3 B15 B20 105.0(4) . . ?
B21 B15 B20 60.7(3) . . ?
B14 B15 B20 59.9(3) . . ?
C3 B15 B16 59.7(3) . . ?
B21 B15 B16 60.2(3) . . ?
B14 B15 B16 108.6(4) . . ?
B20 B15 B16 108.3(4) . . ?
C3 B15 H01F 122.4 . . ?
B21 B15 H01F 123.1 . . ?
B14 B15 H01F 120.0 . . ?
B20 B15 H01F 123.2 . . ?
B16 B15 H01F 121.3 . . ?
C4 B16 C3 57.2(2) . . ?
C4 B16 B21 105.2(4) . . ?
C3 B16 B21 104.8(4) . . ?
C4 B16 B15 104.1(3) . . ?
C3 B16 B15 58.4(2) . . ?
B21 B16 B15 59.5(3) . . ?
C4 B16 B17 58.2(3) . . ?
C3 B16 B17 104.2(4) . . ?
B21 B16 B17 60.6(3) . . ?
B15 B16 B17 107.1(4) . . ?
C4 B16 H01G 123.9 . . ?
C3 B16 H01G 123.5 . . ?
B21 B16 H01G 123.6 . . ?
B15 B16 H01G 122.8 . . ?
B17 B16 H01G 123.1 . . ?
C4 B17 B22 105.6(4) . . ?
C4 B17 B18 59.3(3) . . ?
B22 B17 B18 60.0(3) . . ?
C4 B17 B16 59.3(3) . . ?
B22 B17 B16 108.4(4) . . ?
B18 B17 B16 108.9(3) . . ?
C4 B17 B21 105.0(3) . . ?
B22 B17 B21 60.6(3) . . ?
B18 B17 B21 108.5(4) . . ?
B16 B17 B21 59.4(3) . . ?
C4 B17 H01H 122.8 . . ?
B22 B17 H01H 123.2 . . ?
B18 B17 H01H 120.9 . . ?
B16 B17 H01H 120.6 . . ?
B21 B17 H01H 123.2 . . ?
C4 B18 B17 59.1(3) . . ?
C4 B18 B22 105.4(4) . . ?
B17 B18 B22 60.0(3) . . ?
C4 B18 B19 105.2(4) . . ?
B17 B18 B19 108.7(4) . . ?
B22 B18 B19 60.7(3) . . ?
C4 B18 B13 59.2(3) . . ?
B17 B18 B13 108.6(4) . . ?
B22 B18 B13 108.2(4) . . ?
B19 B18 B13 59.4(3) . . ?
C4 B18 H01I 122.3 . . ?
B17 B18 H01I 118.8 . . ?
B22 B18 H01I 122.5 . . ?
B19 B18 H01I 124.7 . . ?
B13 B18 H01I 122.4 . . ?
B20 B19 B13 107.9(4) . . ?
B20 B19 B14 59.9(3) . . ?
B13 B19 B14 59.7(3) . . ?
B20 B19 B18 107.0(4) . . ?
B13 B19 B18 60.3(3) . . ?
B14 B19 B18 107.3(4) . . ?
B20 B19 B22 60.0(3) . . ?
B13 B19 B22 107.3(4) . . ?
B14 B19 B22 107.4(4) . . ?
B18 B19 B22 58.7(3) . . ?
B20 B19 H01J 121.4 . . ?
B13 B19 H01J 122.0 . . ?
B14 B19 H01J 121.8 . . ?
B18 B19 H01J 122.9 . . ?
B22 B19 H01J 122.4 . . ?
B19 B20 B14 60.6(3) . . ?
B19 B20 B15 108.8(4) . . ?
B14 B20 B15 59.8(3) . . ?
B19 B20 B22 60.9(3) . . ?
B14 B20 B22 108.6(4) . . ?
B15 B20 B22 107.7(4) . . ?
B19 B20 B21 109.7(4) . . ?
B14 B20 B21 108.0(4) . . ?
B15 B20 B21 59.4(3) . . ?
B22 B20 B21 60.4(3) . . ?
B19 B20 H02A 120.6 . . ?
B14 B20 H02A 121.5 . . ?
B15 B20 H02A 121.8 . . ?
B22 B20 H02A 121.7 . . ?
B21 B20 H02A 121.3 . . ?
B15 B21 B16 60.4(3) . . ?
B15 B21 B20 59.9(3) . . ?
B16 B21 B20 107.9(3) . . ?
B15 B21 B22 107.4(4) . . ?
B16 B21 B22 107.2(4) . . ?
B20 B21 B22 59.5(3) . . ?
B15 B21 B17 107.4(3) . . ?
B16 B21 B17 60.0(3) . . ?
B20 B21 B17 106.1(4) . . ?
B22 B21 B17 58.5(3) . . ?
B15 B21 H02B 123.1 . . ?
B16 B21 H02B 123.4 . . ?
B20 B21 H02B 121.2 . . ?
B22 B21 H02B 120.5 . . ?
B17 B21 H02B 122.6 . . ?
B17 B22 B18 60.0(3) . . ?
B17 B22 B20 108.5(4) . . ?
B18 B22 B20 107.7(4) . . ?
B17 B22 B19 108.5(4) . . ?
B18 B22 B19 60.5(3) . . ?
B20 B22 B19 59.0(3) . . ?
B17 B22 B21 60.9(3) . . ?
B18 B22 B21 108.7(4) . . ?
B20 B22 B21 60.1(3) . . ?
B19 B22 B21 107.9(4) . . ?
B17 B22 H02C 121.3 . . ?
B18 B22 H02C 121.8 . . ?
B20 B22 H02C 121.9 . . ?
B19 B22 H02C 121.8 . . ?
B21 B22 H02C 121.1 . . ?
C2 C1 B5 110.6(3) . . ?
C2 C1 B4 110.8(3) . . ?
B5 C1 B4 62.0(3) . . ?
C2 C1 B3 61.3(2) . . ?
B5 C1 B3 113.1(3) . . ?
B4 C1 B3 62.1(3) . . ?
C2 C1 B6 60.8(2) . . ?
B5 C1 B6 62.1(3) . . ?
B4 C1 B6 112.9(3) . . ?
B3 C1 B6 112.8(3) . . ?
C2 C1 S2 117.8(2) . . ?
B5 C1 S2 121.1(3) . . ?
B4 C1 S2 122.4(3) . . ?
B3 C1 S2 118.5(3) . . ?
B6 C1 S2 116.7(3) . . ?
C1 C2 B7 111.6(3) . . ?
C1 C2 B6 62.3(2) . . ?
B7 C2 B6 62.1(3) . . ?
C1 C2 B3 61.4(2) . . ?
B7 C2 B3 112.9(3) . . ?
B6 C2 B3 114.1(3) . . ?
C1 C2 B8 110.9(3) . . ?
B7 C2 B8 62.1(3) . . ?
B6 C2 B8 113.4(3) . . ?
B3 C2 B8 61.6(3) . . ?
C1 C2 S1 117.0(2) . . ?
B7 C2 S1 122.3(3) . . ?
B6 C2 S1 117.7(3) . . ?
B3 C2 S1 116.4(3) . . ?
B8 C2 S1 121.3(3) . . ?
C4 C3 B14 110.4(3) . . ?
C4 C3 B15 110.0(3) . . ?
B14 C3 B15 62.1(3) . . ?
C4 C3 B13 61.4(3) . . ?
B14 C3 B13 62.0(3) . . ?
B15 C3 B13 113.0(3) . . ?
C4 C3 B16 61.1(3) . . ?
B14 C3 B16 113.2(3) . . ?
B15 C3 B16 61.9(3) . . ?
B13 C3 B16 113.5(3) . . ?
C4 C3 S3 125.8(3) . . ?
B14 C3 S3 113.5(3) . . ?
B15 C3 S3 117.8(3) . . ?
B13 C3 S3 116.3(3) . . ?
B16 C3 S3 122.9(3) . . ?
C3 C4 B17 111.2(3) . . ?
C3 C4 B18 110.9(4) . . ?
B17 C4 B18 61.5(3) . . ?
C3 C4 B16 61.7(2) . . ?
B17 C4 B16 62.5(3) . . ?
B18 C4 B16 113.4(4) . . ?
C3 C4 B13 61.1(3) . . ?
B17 C4 B13 113.3(4) . . ?
B18 C4 B13 62.5(3) . . ?
B16 C4 B13 113.8(3) . . ?
C3 C4 H4B 121.9 . . ?
B17 C4 H4B 118.2 . . ?
B18 C4 H4B 118.2 . . ?
B16 C4 H4B 118.3 . . ?
B13 C4 H4B 118.5 . . ?
C10 C5 C6 120.8(4) . . ?
C10 C5 H4A 119.6 . . ?
C6 C5 H4A 119.6 . . ?
C7 C6 C5 120.9(4) . . ?
C7 C6 H1A 119.5 . . ?
C5 C6 H1A 119.5 . . ?
C8 C7 C6 119.4(4) . . ?
C8 C7 H20A 120.3 . . ?
C6 C7 H20A 120.3 . . ?
C7 C8 C9 121.0(4) . . ?
C7 C8 H35A 119.5 . . ?
C9 C8 H35A 119.5 . . ?
C8 C9 C10 121.0(4) . . ?
C8 C9 H22A 119.5 . . ?
C10 C9 H22A 119.5 . . ?
C5 C10 C9 116.9(4) . . ?
C5 C10 P1 123.0(3) . . ?
C9 C10 P1 120.1(3) . . ?
C12 C11 C16 120.3(4) . . ?
C12 C11 H12A 119.8 . . ?
C16 C11 H12A 119.8 . . ?
C11 C12 C13 118.7(3) . . ?
C11 C12 P1 118.8(3) . . ?
C13 C12 P1 122.2(3) . . ?
C14 C13 C12 119.5(4) . . ?
C14 C13 H21A 120.3 . . ?
C12 C13 H21A 120.3 . . ?
C15 C14 C13 121.5(4) . . ?
C15 C14 H37A 119.3 . . ?
C13 C14 H37A 119.3 . . ?
C14 C15 C16 119.8(4) . . ?
C14 C15 H54A 120.1 . . ?
C16 C15 H54A 120.1 . . ?
C15 C16 C11 120.1(4) . . ?
C15 C16 H8A 119.9 . . ?
C11 C16 H8A 119.9 . . ?
C22 C17 C18 118.4(3) . . ?
C22 C17 P1 118.4(3) . . ?
C18 C17 P1 123.1(3) . . ?
C19 C18 C17 119.5(4) . . ?
C19 C18 H24A 120.2 . . ?
C17 C18 H24A 120.3 . . ?
C20 C19 C18 121.4(4) . . ?
C20 C19 H26A 119.3 . . ?
C18 C19 H26A 119.3 . . ?
C21 C20 C19 119.4(4) . . ?
C21 C20 H25A 120.3 . . ?
C19 C20 H25A 120.3 . . ?
C20 C21 C22 120.0(4) . . ?
C20 C21 H18A 120.0 . . ?
C22 C21 H18A 120.0 . . ?
C17 C22 C21 121.3(4) . . ?
C17 C22 H6A 119.4 . . ?
C21 C22 H6A 119.4 . . ?
C24 C23 C28 121.3(5) . . ?
C24 C23 H19A 119.3 . . ?
C28 C23 H19A 119.3 . . ?
C23 C24 C25 118.3(4) . . ?
C23 C24 P2 120.1(3) . . ?
C25 C24 P2 121.6(4) . . ?
C24 C25 C26 119.9(5) . . ?
C24 C25 H33A 120.1 . . ?
C26 C25 H33A 120.1 . . ?
C27 C26 C25 120.8(5) . . ?
C27 C26 H10C 119.6 . . ?
C25 C26 H10C 119.6 . . ?
C26 C27 C28 120.7(5) . . ?
C26 C27 H41A 119.6 . . ?
C28 C27 H41A 119.6 . . ?
C27 C28 C23 118.9(5) . . ?
C27 C28 H40A 120.5 . . ?
C23 C28 H40A 120.5 . . ?
C30 C29 C34 120.9(5) . . ?
C30 C29 H38A 119.5 . . ?
C34 C29 H38A 119.5 . . ?
C31 C30 C29 118.9(4) . . ?
C31 C30 P2 121.4(3) . . ?
C29 C30 P2 119.7(3) . . ?
C30 C31 C32 120.1(4) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C33 C32 C31 120.1(5) . . ?
C33 C32 H47A 120.0 . . ?
C31 C32 H47A 120.0 . . ?
C32 C33 C34 120.5(4) . . ?
C32 C33 H10B 119.8 . . ?
C34 C33 H10B 119.8 . . ?
C33 C34 C29 119.5(5) . . ?
C33 C34 H53A 120.3 . . ?
C29 C34 H53A 120.3 . . ?
C36 C35 C40 121.3(4) . . ?
C36 C35 H13A 119.3 . . ?
C40 C35 H13A 119.3 . . ?
C37 C36 C35 120.3(5) . . ?
C37 C36 H17A 119.9 . . ?
C35 C36 H17A 119.9 . . ?
C38 C37 C36 119.3(5) . . ?
C38 C37 H32A 120.3 . . ?
C36 C37 H32A 120.3 . . ?
C37 C38 C39 120.5(5) . . ?
C37 C38 H45A 119.8 . . ?
C39 C38 H45A 119.8 . . ?
C40 C39 C38 120.9(4) . . ?
C40 C39 H10A 119.6 . . ?
C38 C39 H10A 119.6 . . ?
C39 C40 C35 117.7(4) . . ?
C39 C40 P2 121.7(3) . . ?
C35 C40 P2 120.6(3) . . ?
C17 P1 C10 106.03(17) . . ?
C17 P1 C12 102.45(16) . . ?
C10 P1 C12 98.87(17) . . ?
C17 P1 Ru1 110.22(11) . . ?
C10 P1 Ru1 110.78(11) . . ?
C12 P1 Ru1 126.46(12) . . ?
C24 P2 C40 104.40(19) . . ?
C24 P2 C30 102.57(18) . . ?
C40 P2 C30 104.61(19) . . ?
C24 P2 Ru1 117.50(15) . . ?
C40 P2 Ru1 112.14(13) . . ?
C30 P2 Ru1 114.24(13) . . ?
S3 Ru1 S1 142.29(5) . . ?
S3 Ru1 P2 95.84(4) . . ?
S1 Ru1 P2 121.32(4) . . ?
S3 Ru1 S2 101.97(4) . . ?
S1 Ru1 S2 89.49(3) . . ?
P2 Ru1 S2 83.35(4) . . ?
S3 Ru1 P1 85.06(3) . . ?
S1 Ru1 P1 81.77(3) . . ?
P2 Ru1 P1 101.26(3) . . ?
S2 Ru1 P1 171.26(3) . . ?
C2 S1 Ru1 107.47(12) . . ?
C1 S2 Ru1 105.85(12) . . ?
C3 S3 Ru1 120.84(12) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.763
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.074

data_global

# Attachment 'jqb2.cif'


data_2100615a_0m
#TrackingRef 'jqb2.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H194 B120 O3 P4 Ru4 S16'
_chemical_formula_weight         3734.83

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.272(8)
_cell_length_b                   20.260(13)
_cell_length_c                   21.918(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.42(3)
_cell_angle_gamma                90.00
_cell_volume                     4922(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    1786
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      19.13

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1886
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8623
_exptl_absorpt_correction_T_max  0.8895
_exptl_absorpt_process_details   sadabs;bruker,2000

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33653
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.44
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9671
_reflns_number_gt                6565
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0282P)²+2.5355P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9671
_refine_ls_number_parameters     559
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.0913
_refine_ls_wR_factor_gt          0.0860
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.5002(4) 0.8122(2) 0.4101(2) 0.0611(12) Uani 1 1 d . . .
H3 H 0.5074 0.8061 0.3621 0.073 Uiso 1 1 calc R . .
B4 B 0.4573(4) 0.8880(2) 0.4389(2) 0.0595(12) Uani 1 1 d . . .
H4A H 0.4339 0.9327 0.4074 0.071 Uiso 1 1 calc R . .
B5 B 0.3827(4) 0.8640(2) 0.4902(2) 0.0527(11) Uani 1 1 d . . .
H5 H 0.3109 0.8947 0.4928 0.063 Uiso 1 1 calc R . .
B6 B 0.3717(4) 0.7804(2) 0.4938(2) 0.0528(11) Uani 1 1 d . . .
H6A H 0.2974 0.7539 0.4984 0.063 Uiso 1 1 calc R . .
B7 B 0.5186(5) 0.7483(2) 0.5330(2) 0.0584(12) Uani 1 1 d . . .
H7 H 0.5408 0.7024 0.5627 0.070 Uiso 1 1 calc R . .
B8 B 0.5986(4) 0.7714(2) 0.4806(2) 0.0569(11) Uani 1 1 d . . .
H8A H 0.6693 0.7401 0.4775 0.068 Uiso 1 1 calc R . .
B9 B 0.6056(4) 0.8594(2) 0.4804(2) 0.0582(12) Uani 1 1 d . . .
H9A H 0.6817 0.8861 0.4781 0.070 Uiso 1 1 calc R . .
B10 B 0.5341(4) 0.8912(2) 0.5259(2) 0.0590(12) Uani 1 1 d . . .
H10A H 0.5659 0.9385 0.5522 0.071 Uiso 1 1 calc R . .
B11 B 0.4696(4) 0.8248(2) 0.5574(2) 0.0586(12) Uani 1 1 d . . .
H11A H 0.4574 0.8299 0.6040 0.070 Uiso 1 1 calc R . .
B12 B 0.6179(4) 0.8173(2) 0.5556(2) 0.0627(13) Uani 1 1 d . . .
H12A H 0.7022 0.8152 0.6023 0.075 Uiso 1 1 calc R . .
B13 B -0.0542(5) 0.8171(2) 0.3055(2) 0.0579(12) Uani 1 1 d . . .
H13 H 0.0143 0.8439 0.2955 0.069 Uiso 1 1 calc R . .
B14 B -0.1676(5) 0.7753(3) 0.2394(2) 0.0669(14) Uani 1 1 d . . .
H14A H -0.1778 0.7733 0.1871 0.080 Uiso 1 1 calc R . .
B15 B -0.1977(4) 0.7079(2) 0.2784(2) 0.0592(11) Uani 1 1 d . . .
H15A H -0.2274 0.6606 0.2517 0.071 Uiso 1 1 calc R . .
B16 B -0.1074(4) 0.7058(3) 0.3604(2) 0.0583(11) Uani 1 1 d . . .
H16A H -0.0780 0.6592 0.3885 0.070 Uiso 1 1 calc R . .
B17 B -0.1375(4) 0.7756(2) 0.3977(2) 0.0566(12) Uani 1 1 d . . .
H17A H -0.1255 0.7730 0.4503 0.068 Uiso 1 1 calc R . .
B18 B -0.1076(4) 0.8479(3) 0.3602(2) 0.0636(13) Uani 1 1 d . . .
H18A H -0.0790 0.8951 0.3871 0.076 Uiso 1 1 calc R . .
B19 B -0.1955(5) 0.8456(2) 0.2794(2) 0.0636(13) Uani 1 1 d . . .
H19 H -0.2239 0.8926 0.2521 0.076 Uiso 1 1 calc R . .
B20 B -0.2848(5) 0.7827(3) 0.2610(2) 0.0679(14) Uani 1 1 d . . .
H20A H -0.3761 0.7882 0.2200 0.081 Uiso 1 1 calc R . .
B21 B -0.2592(4) 0.7383(2) 0.3266(2) 0.0552(11) Uani 1 1 d . . .
H21A H -0.3354 0.7121 0.3295 0.066 Uiso 1 1 calc R . .
B22 B -0.2506(4) 0.8191(2) 0.3346(2) 0.0566(11) Uani 1 1 d . . .
H22A H -0.3162 0.8459 0.3472 0.068 Uiso 1 1 calc R . .
B23 B 0.2964(4) 0.8799(2) 0.2091(2) 0.0558(11) Uani 1 1 d . . .
H23A H 0.3720 0.8832 0.2596 0.067 Uiso 1 1 calc R . .
B24 B 0.2972(5) 0.8368(3) 0.1344(2) 0.0639(13) Uani 1 1 d . . .
H24A H 0.3760 0.8107 0.1347 0.077 Uiso 1 1 calc R . .
B25 B 0.1554(4) 0.8057(2) 0.0875(2) 0.0548(11) Uani 1 1 d . . .
H25 H 0.1417 0.7608 0.0568 0.066 Uiso 1 1 calc R . .
B26 B 0.0696(4) 0.8254(2) 0.1254(2) 0.0544(11) Uani 1 1 d . . .
H26 H -0.0033 0.7907 0.1194 0.065 Uiso 1 1 calc R . .
B27 B 0.0654(4) 0.9138(2) 0.1333(2) 0.0563(12) Uani 1 1 d . . .
H27 H -0.0110 0.9415 0.1342 0.068 Uiso 1 1 calc R . .
B28 B 0.2054(5) 0.9427(2) 0.1818(2) 0.0605(12) Uani 1 1 d . . .
H28 H 0.2193 0.9876 0.2125 0.073 Uiso 1 1 calc R . .
B29 B 0.2980(5) 0.9207(2) 0.1419(2) 0.0637(13) Uani 1 1 d . . .
H29 H 0.3775 0.9495 0.1471 0.076 Uiso 1 1 calc R . .
B30 B 0.2016(5) 0.8801(3) 0.0643(2) 0.0631(13) Uani 1 1 d . . .
H30 H 0.2128 0.8838 0.0173 0.076 Uiso 1 1 calc R . .
B31 B 0.0512(4) 0.8761(3) 0.0679(2) 0.0633(13) Uani 1 1 d . . .
H31 H -0.0384 0.8785 0.0250 0.076 Uiso 1 1 calc R . .
B32 B 0.1493(4) 0.9438(2) 0.0942(2) 0.0621(12) Uani 1 1 d . . .
H32 H 0.1306 0.9899 0.0649 0.075 Uiso 1 1 calc R . .
C1 C 0.3648(4) 0.82152(18) 0.42117(17) 0.0528(9) Uani 1 1 d . . .
C2 C 0.4406(3) 0.75534(18) 0.44412(17) 0.0516(9) Uani 1 1 d . . .
C3 C -0.0588(3) 0.73397(18) 0.30748(17) 0.0474(9) Uani 1 1 d . . .
C4 C -0.0144(3) 0.77824(19) 0.37655(18) 0.0541(10) Uani 1 1 d . . .
H4 H 0.0798 0.7804 0.4149 0.065 Uiso 1 1 calc R . .
C5 C 0.2133(3) 0.80817(18) 0.17277(17) 0.0500(9) Uani 1 1 d . . .
C6 C 0.1585(3) 0.8688(2) 0.19588(18) 0.0547(10) Uani 1 1 d . . .
H6 H 0.1401 0.8618 0.2403 0.066 Uiso 1 1 calc R . .
C7 C 0.0859(3) 0.56038(18) 0.20677(17) 0.0473(8) Uani 1 1 d . . .
C8 C 0.0152(3) 0.51472(19) 0.22184(19) 0.0526(9) Uani 1 1 d . . .
H8 H 0.0413 0.4974 0.2651 0.063 Uiso 1 1 calc R . .
C9 C -0.0968(3) 0.49569(18) 0.16956(17) 0.0491(9) Uani 1 1 d . . .
H9 H -0.1418 0.4629 0.1778 0.059 Uiso 1 1 calc R . .
C10 C -0.1403(4) 0.52459(18) 0.10707(18) 0.0548(10) Uani 1 1 d . . .
H10 H -0.2140 0.5109 0.0735 0.066 Uiso 1 1 calc R . .
C11 C -0.0749(3) 0.5746(2) 0.09315(19) 0.0571(10) Uani 1 1 d . . .
H11 H -0.1059 0.5964 0.0518 0.069 Uiso 1 1 calc R . .
C12 C 0.0381(3) 0.58999(18) 0.14383(17) 0.0532(10) Uani 1 1 d . . .
H12 H 0.0839 0.6219 0.1349 0.064 Uiso 1 1 calc R . .
C13 C 0.3350(3) 0.57186(18) 0.23406(17) 0.0509(9) Uani 1 1 d . . .
C14 C 0.4485(3) 0.6040(2) 0.26284(18) 0.0556(10) Uani 1 1 d . . .
H14 H 0.4680 0.6347 0.2975 0.067 Uiso 1 1 calc R . .
C15 C 0.5322(3) 0.58613(19) 0.23519(16) 0.0508(9) Uani 1 1 d . . .
H15 H 0.6066 0.6073 0.2516 0.061 Uiso 1 1 calc R . .
C16 C 0.5067(3) 0.53942(17) 0.18587(18) 0.0525(9) Uani 1 1 d . . .
H16 H 0.5642 0.5272 0.1709 0.063 Uiso 1 1 calc R . .
C17 C 0.3961(3) 0.5115(2) 0.15944(19) 0.0563(10) Uani 1 1 d . . .
H17 H 0.3765 0.4814 0.1243 0.068 Uiso 1 1 calc R . .
C18 C 0.3089(3) 0.52676(17) 0.18363(17) 0.0479(9) Uani 1 1 d . . .
H18 H 0.2340 0.5060 0.1651 0.057 Uiso 1 1 calc R . .
C19 C 0.2727(3) 0.53513(17) 0.34264(19) 0.0517(9) Uani 1 1 d . . .
C20 C 0.2209(3) 0.54042(16) 0.38687(16) 0.0441(8) Uani 1 1 d . . .
H20 H 0.1646 0.5736 0.3803 0.053 Uiso 1 1 calc R . .
C21 C 0.2503(4) 0.49718(19) 0.44158(19) 0.0558(10) Uani 1 1 d . . .
H21 H 0.2083 0.4986 0.4682 0.067 Uiso 1 1 calc R . .
C22 C 0.3406(3) 0.45338(19) 0.45502(19) 0.0529(9) Uani 1 1 d . . .
H22 H 0.3635 0.4262 0.4927 0.064 Uiso 1 1 calc R . .
C23 C 0.3996(3) 0.44810(17) 0.41413(17) 0.0499(9) Uani 1 1 d . . .
H23 H 0.4608 0.4172 0.4237 0.060 Uiso 1 1 calc R . .
C24 C 0.3657(3) 0.49086(17) 0.35634(19) 0.0512(9) Uani 1 1 d . . .
H24 H 0.4059 0.4887 0.3288 0.061 Uiso 1 1 calc R . .
O1W O 0.0987(9) 0.5132(5) 0.0309(5) 0.061(3) Uani 0.25 1 d P . .
H1X H 0.1066 0.5317 -0.0017 0.073 Uiso 0.25 1 d PR . .
H1Y H 0.1415 0.4784 0.0423 0.073 Uiso 0.25 1 d PR . .
O2W O 0.7761(4) 0.6646(2) 0.4998(2) 0.0479(12) Uani 0.50 1 d P . .
H2X H 0.7313 0.6434 0.4644 0.057 Uiso 0.50 1 d PR . .
H2Y H 0.7966 0.6515 0.5400 0.057 Uiso 0.50 1 d PR . .
P1 P 0.22904(9) 0.59035(4) 0.27016(5) 0.0466(2) Uani 1 1 d . . .
Ru1 Ru 0.22318(3) 0.705203(14) 0.302172(15) 0.04753(9) Uani 1 1 d . . .
S1 S 0.23232(8) 0.81406(4) 0.34726(4) 0.0473(2) Uani 1 1 d . . .
S2 S 0.38363(8) 0.68086(4) 0.39570(4) 0.0478(2) Uani 1 1 d . . .
S3 S 0.04011(8) 0.68031(4) 0.28783(4) 0.0479(2) Uani 1 1 d . . .
S4 S 0.24655(9) 0.72684(5) 0.21082(5) 0.0565(2) Uani 1 1 d . . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C2 1.700(6) . ?
B3 B8 1.712(7) . ?
B3 C1 1.790(7) . ?
B3 B9 1.803(6) . ?
B3 B4 1.822(7) . ?
B3 H3 1.1000 . ?
B4 C1 1.696(6) . ?
B4 B10 1.729(7) . ?
B4 B9 1.748(7) . ?
B4 B5 1.796(7) . ?
B4 H4A 1.1000 . ?
B5 B11 1.608(7) . ?
B5 C1 1.671(5) . ?
B5 B6 1.703(6) . ?
B5 B10 1.767(6) . ?
B5 H5 1.1000 . ?
B6 B11 1.660(6) . ?
B6 C2 1.717(6) . ?
B6 B7 1.755(7) . ?
B6 C1 1.766(6) . ?
B6 H6A 1.1000 . ?
B7 C2 1.770(6) . ?
B7 B12 1.779(6) . ?
B7 B11 1.822(7) . ?
B7 B8 1.863(7) . ?
B7 H7 1.1000 . ?
B8 C2 1.781(6) . ?
B8 B9 1.785(7) . ?
B8 B12 1.812(7) . ?
B8 H8A 1.1000 . ?
B9 B10 1.712(7) . ?
B9 B12 1.803(7) . ?
B9 H9A 1.1000 . ?
B10 B12 1.776(7) . ?
B10 B11 1.840(6) . ?
B10 H10A 1.1000 . ?
B11 B12 1.844(7) . ?
B11 H11A 1.1000 . ?
B12 H12A 1.1000 . ?
B13 C4 1.621(6) . ?
B13 B19 1.678(7) . ?
B13 C3 1.686(6) . ?
B13 B18 1.712(6) . ?
B13 B14 1.739(7) . ?
B13 H13 1.1000 . ?
B14 B20 1.701(7) . ?
B14 C3 1.731(6) . ?
B14 B15 1.731(7) . ?
B14 B19 1.780(7) . ?
B14 H14A 1.1000 . ?
B15 C3 1.630(6) . ?
B15 B16 1.658(6) . ?
B15 B21 1.658(6) . ?
B15 B20 1.798(7) . ?
B15 H15A 1.1000 . ?
B16 C3 1.618(6) . ?
B16 B17 1.750(6) . ?
B16 C4 1.799(6) . ?
B16 B21 1.807(7) . ?
B16 H16A 1.1000 . ?
B17 B22 1.723(7) . ?
B17 C4 1.761(6) . ?
B17 B18 1.793(7) . ?
B17 B21 1.798(7) . ?
B17 H17A 1.1000 . ?
B18 B19 1.632(7) . ?
B18 B22 1.700(7) . ?
B18 C4 1.754(6) . ?
B18 H18A 1.1000 . ?
B19 B20 1.614(8) . ?
B19 B22 1.706(7) . ?
B19 H19 1.1000 . ?
B20 B21 1.610(7) . ?
B20 B22 1.656(7) . ?
B20 H20A 1.1000 . ?
B21 B22 1.646(7) . ?
B21 H21A 1.1000 . ?
B22 H22A 1.1000 . ?
B23 C6 1.606(6) . ?
B23 B28 1.629(7) . ?
B23 B29 1.696(6) . ?
B23 C5 1.758(6) . ?
B23 B24 1.859(7) . ?
B23 H23A 1.1000 . ?
B24 C5 1.688(6) . ?
B24 B29 1.707(7) . ?
B24 B25 1.717(7) . ?
B24 B30 1.720(6) . ?
B24 H24A 1.1000 . ?
B25 B26 1.646(6) . ?
B25 C5 1.691(5) . ?
B25 B30 1.760(7) . ?
B25 B31 1.839(7) . ?
B25 H25 1.1000 . ?
B26 B31 1.564(7) . ?
B26 C5 1.655(6) . ?
B26 C6 1.703(6) . ?
B26 B27 1.802(7) . ?
B26 H26 1.1000 . ?
B27 B31 1.567(6) . ?
B27 C6 1.635(6) . ?
B27 B28 1.690(7) . ?
B27 B32 1.711(7) . ?
B27 H27 1.1000 . ?
B28 C6 1.681(6) . ?
B28 B32 1.740(7) . ?
B28 B29 1.763(7) . ?
B28 H28 1.1000 . ?
B29 B32 1.733(7) . ?
B29 B30 1.800(7) . ?
B29 H29 1.1000 . ?
B30 B32 1.692(7) . ?
B30 B31 1.882(7) . ?
B30 H30 1.1000 . ?
B31 B32 1.752(7) . ?
B31 H31 1.1000 . ?
B32 H32 1.1000 . ?
C1 C2 1.586(5) . ?
C1 S1 1.740(4) . ?
C2 S2 1.804(4) . ?
C3 C4 1.639(5) . ?
C3 S3 1.814(4) . ?
C4 H4 1.1000 . ?
C5 C6 1.584(5) . ?
C5 S4 1.812(4) . ?
C6 H6 1.1000 . ?
C7 C12 1.383(5) . ?
C7 C8 1.401(5) . ?
C7 P1 1.813(4) . ?
C8 C9 1.413(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.370(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.404(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.362(5) . ?
C13 C14 1.417(5) . ?
C13 P1 1.828(4) . ?
C14 C15 1.444(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.368(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.350(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.417(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.373(5) . ?
C19 C24 1.380(5) . ?
C19 P1 1.825(4) . ?
C20 C21 1.401(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.350(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.377(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.441(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
O1W H1X 0.8499 . ?
O1W H1Y 0.8500 . ?
O2W H2X 0.8500 . ?
O2W H2Y 0.8500 . ?
P1 Ru1 2.4404(17) . ?
Ru1 S4 2.1855(15) . ?
Ru1 S3 2.1896(17) . ?
Ru1 S2 2.2040(16) . ?
Ru1 S1 2.3997(16) . ?

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
C2 B3 B8 62.9(3) . . ?
C2 B3 C1 54.0(2) . . ?
B8 B3 C1 105.3(3) . . ?
C2 B3 B9 105.6(3) . . ?
B8 B3 B9 61.0(3) . . ?
C1 B3 B9 101.2(3) . . ?
C2 B3 B4 100.1(3) . . ?
B8 B3 B4 106.9(3) . . ?
C1 B3 B4 56.0(2) . . ?
B9 B3 B4 57.7(3) . . ?
C2 B3 H3 124.8 . . ?
B8 B3 H3 119.6 . . ?
C1 B3 H3 127.1 . . ?
B9 B3 H3 123.7 . . ?
B4 B3 H3 125.5 . . ?
C1 B4 B10 106.1(3) . . ?
C1 B4 B9 107.5(3) . . ?
B10 B4 B9 59.0(3) . . ?
C1 B4 B5 57.1(2) . . ?
B10 B4 B5 60.1(3) . . ?
B9 B4 B5 106.3(3) . . ?
C1 B4 B3 61.1(3) . . ?
B10 B4 B3 108.2(3) . . ?
B9 B4 B3 60.6(3) . . ?
B5 B4 B3 106.8(3) . . ?
C1 B4 H4A 122.8 . . ?
B10 B4 H4A 122.2 . . ?
B9 B4 H4A 122.2 . . ?
B5 B4 H4A 123.4 . . ?
B3 B4 H4A 120.9 . . ?
B11 B5 C1 110.6(3) . . ?
B11 B5 B6 60.1(3) . . ?
C1 B5 B6 63.1(2) . . ?
B11 B5 B10 65.9(3) . . ?
C1 B5 B10 105.4(3) . . ?
B6 B5 B10 112.3(4) . . ?
B11 B5 B4 113.0(3) . . ?
C1 B5 B4 58.4(2) . . ?
B6 B5 B4 111.7(3) . . ?
B10 B5 B4 58.0(3) . . ?
B11 B5 H5 117.6 . . ?
C1 B5 H5 122.7 . . ?
B6 B5 H5 118.6 . . ?
B10 B5 H5 121.0 . . ?
B4 B5 H5 121.0 . . ?
B11 B6 B5 57.1(3) . . ?
B11 B6 C2 108.4(3) . . ?
B5 B6 C2 101.2(3) . . ?
B11 B6 B7 64.4(3) . . ?
B5 B6 B7 107.8(3) . . ?
C2 B6 B7 61.3(3) . . ?
B11 B6 C1 103.8(3) . . ?
B5 B6 C1 57.6(2) . . ?
C2 B6 C1 54.1(2) . . ?
B7 B6 C1 105.0(3) . . ?
B11 B6 H6A 121.2 . . ?
B5 B6 H6A 125.1 . . ?
C2 B6 H6A 124.5 . . ?
B7 B6 H6A 119.4 . . ?
C1 B6 H6A 126.3 . . ?
B6 B7 C2 58.3(3) . . ?
B6 B7 B12 106.4(3) . . ?
C2 B7 B12 103.0(3) . . ?
B6 B7 B11 55.3(2) . . ?
C2 B7 B11 99.4(3) . . ?
B12 B7 B11 61.6(3) . . ?
B6 B7 B8 107.9(3) . . ?
C2 B7 B8 58.7(2) . . ?
B12 B7 B8 59.6(3) . . ?
B11 B7 B8 107.1(3) . . ?
B6 B7 H7 123.0 . . ?
C2 B7 H7 126.8 . . ?
B12 B7 H7 122.2 . . ?
B11 B7 H7 125.0 . . ?
B8 B7 H7 121.0 . . ?
B3 B8 C2 58.2(2) . . ?
B3 B8 B9 62.0(3) . . ?
C2 B8 B9 103.0(3) . . ?
B3 B8 B12 109.8(4) . . ?
C2 B8 B12 101.2(3) . . ?
B9 B8 B12 60.1(3) . . ?
B3 B8 B7 108.9(4) . . ?
C2 B8 B7 58.1(2) . . ?
B9 B8 B7 106.9(3) . . ?
B12 B8 B7 57.9(2) . . ?
B3 B8 H8A 119.4 . . ?
C2 B8 H8A 127.1 . . ?
B9 B8 H8A 122.3 . . ?
B12 B8 H8A 123.5 . . ?
B7 B8 H8A 122.2 . . ?
B10 B9 B4 59.9(3) . . ?
B10 B9 B8 109.8(3) . . ?
B4 B9 B8 107.0(3) . . ?
B10 B9 B12 60.6(3) . . ?
B4 B9 B12 107.1(3) . . ?
B8 B9 B12 60.7(3) . . ?
B10 B9 B3 109.8(4) . . ?
B4 B9 B3 61.7(3) . . ?
B8 B9 B3 57.0(3) . . ?
B12 B9 B3 106.2(3) . . ?
B10 B9 H9A 120.0 . . ?
B4 B9 H9A 121.9 . . ?
B8 B9 H9A 122.3 . . ?
B12 B9 H9A 122.4 . . ?
B3 B9 H9A 122.2 . . ?
B9 B10 B4 61.1(3) . . ?
B9 B10 B5 109.2(3) . . ?
B4 B10 B5 61.8(3) . . ?
B9 B10 B12 62.2(3) . . ?
B4 B10 B12 109.2(3) . . ?
B5 B10 B12 103.4(3) . . ?
B9 B10 B11 110.6(3) . . ?
B4 B10 B11 105.5(3) . . ?
B5 B10 B11 52.9(3) . . ?
B12 B10 B11 61.3(3) . . ?
B9 B10 H10A 118.7 . . ?
B4 B10 H10A 121.0 . . ?
B5 B10 H10A 124.9 . . ?
B12 B10 H10A 121.6 . . ?
B11 B10 H10A 123.6 . . ?
B5 B11 B6 62.8(3) . . ?
B5 B11 B7 109.0(3) . . ?
B6 B11 B7 60.3(3) . . ?
B5 B11 B10 61.2(3) . . ?
B6 B11 B10 110.8(3) . . ?
B7 B11 B10 105.3(3) . . ?
B5 B11 B12 107.1(3) . . ?
B6 B11 B12 107.7(3) . . ?
B7 B11 B12 58.1(3) . . ?
B10 B11 B12 57.6(3) . . ?
B5 B11 H11A 120.1 . . ?
B6 B11 H11A 119.5 . . ?
B7 B11 H11A 123.1 . . ?
B10 B11 H11A 122.1 . . ?
B12 B11 H11A 123.9 . . ?
B10 B12 B7 109.9(4) . . ?
B10 B12 B9 57.1(3) . . ?
B7 B12 B9 109.8(3) . . ?
B10 B12 B8 105.7(3) . . ?
B7 B12 B8 62.5(2) . . ?
B9 B12 B8 59.2(3) . . ?
B10 B12 B11 61.1(3) . . ?
B7 B12 B11 60.4(3) . . ?
B9 B12 B11 106.5(3) . . ?
B8 B12 B11 108.4(3) . . ?
B10 B12 H12A 122.6 . . ?
B7 B12 H12A 119.1 . . ?
B9 B12 H12A 123.1 . . ?
B8 B12 H12A 121.9 . . ?
B11 B12 H12A 121.7 . . ?
C4 B13 B19 109.6(3) . . ?
C4 B13 C3 59.4(2) . . ?
B19 B13 C3 108.1(3) . . ?
C4 B13 B18 63.4(3) . . ?
B19 B13 B18 57.5(3) . . ?
C3 B13 B18 108.6(3) . . ?
C4 B13 B14 111.5(3) . . ?
B19 B13 B14 62.8(3) . . ?
C3 B13 B14 60.7(3) . . ?
B18 B13 B14 110.5(4) . . ?
C4 B13 H13 119.4 . . ?
B19 B13 H13 121.9 . . ?
C3 B13 H13 122.4 . . ?
B18 B13 H13 121.0 . . ?
B14 B13 H13 118.8 . . ?
B20 B14 C3 103.6(3) . . ?
B20 B14 B15 63.2(3) . . ?
C3 B14 B15 56.2(2) . . ?
B20 B14 B13 101.3(3) . . ?
C3 B14 B13 58.1(2) . . ?
B15 B14 B13 103.7(3) . . ?
B20 B14 B19 55.2(3) . . ?
C3 B14 B19 101.7(3) . . ?
B15 B14 B19 105.2(4) . . ?
B13 B14 B19 56.9(3) . . ?
B20 B14 H14A 124.1 . . ?
C3 B14 H14A 125.5 . . ?
B15 B14 H14A 122.2 . . ?
B13 B14 H14A 125.3 . . ?
B19 B14 H14A 125.6 . . ?
C3 B15 B16 59.0(3) . . ?
C3 B15 B21 108.4(3) . . ?
B16 B15 B21 66.0(3) . . ?
C3 B15 B14 61.9(3) . . ?
B16 B15 B14 111.7(4) . . ?
B21 B15 B14 105.9(4) . . ?
C3 B15 B20 103.7(3) . . ?
B16 B15 B20 108.2(3) . . ?
B21 B15 B20 55.3(3) . . ?
B14 B15 B20 57.6(3) . . ?
C3 B15 H15A 122.9 . . ?
B16 B15 H15A 118.0 . . ?
B21 B15 H15A 121.6 . . ?
B14 B15 H15A 121.1 . . ?
B20 B15 H15A 126.1 . . ?
C3 B16 B15 59.6(3) . . ?
C3 B16 B17 105.4(3) . . ?
B15 B16 B17 108.0(3) . . ?
C3 B16 C4 57.0(2) . . ?
B15 B16 C4 105.4(3) . . ?
B17 B16 C4 59.5(3) . . ?
C3 B16 B21 102.1(3) . . ?
B15 B16 B21 57.0(3) . . ?
B17 B16 B21 60.7(3) . . ?
C4 B16 B21 103.8(3) . . ?
C3 B16 H16A 124.8 . . ?
B15 B16 H16A 122.4 . . ?
B17 B16 H16A 121.0 . . ?
C4 B16 H16A 124.2 . . ?
B21 B16 H16A 125.1 . . ?
B22 B17 B16 107.3(3) . . ?
B22 B17 C4 105.0(3) . . ?
B16 B17 C4 61.7(2) . . ?
B22 B17 B18 57.8(3) . . ?
B16 B17 B18 108.7(3) . . ?
C4 B17 B18 59.1(3) . . ?
B22 B17 B21 55.7(3) . . ?
B16 B17 B21 61.2(3) . . ?
C4 B17 B21 105.8(3) . . ?
B18 B17 B21 101.8(3) . . ?
B22 B17 H17A 124.4 . . ?
B16 B17 H17A 119.4 . . ?
C4 B17 H17A 122.3 . . ?
B18 B17 H17A 124.0 . . ?
B21 B17 H17A 125.2 . . ?
B19 B18 B22 61.6(3) . . ?
B19 B18 B13 60.2(3) . . ?
B22 B18 B13 107.1(3) . . ?
B19 B18 C4 105.5(3) . . ?
B22 B18 C4 106.4(4) . . ?
B13 B18 C4 55.8(3) . . ?
B19 B18 B17 107.7(4) . . ?
B22 B18 B17 59.1(3) . . ?
B13 B18 B17 103.8(3) . . ?
C4 B18 B17 59.5(3) . . ?
B19 B18 H18A 121.2 . . ?
B22 B18 H18A 121.5 . . ?
B13 B18 H18A 124.3 . . ?
C4 B18 H18A 124.1 . . ?
B17 B18 H18A 123.1 . . ?
B20 B19 B18 110.9(4) . . ?
B20 B19 B13 107.8(4) . . ?
B18 B19 B13 62.3(3) . . ?
B20 B19 B22 59.8(3) . . ?
B18 B19 B22 61.2(3) . . ?
B13 B19 B22 108.4(3) . . ?
B20 B19 B14 59.9(3) . . ?
B18 B19 B14 112.4(4) . . ?
B13 B19 B14 60.3(3) . . ?
B22 B19 B14 108.4(4) . . ?
B20 B19 H19 121.7 . . ?
B18 B19 H19 118.2 . . ?
B13 B19 H19 121.6 . . ?
B22 B19 H19 121.9 . . ?
B14 B19 H19 120.6 . . ?
B21 B20 B19 111.5(4) . . ?
B21 B20 B22 60.5(3) . . ?
B19 B20 B22 62.9(3) . . ?
B21 B20 B14 109.6(4) . . ?
B19 B20 B14 64.9(3) . . ?
B22 B20 B14 114.8(4) . . ?
B21 B20 B15 57.9(3) . . ?
B19 B20 B15 109.5(4) . . ?
B22 B20 B15 106.8(3) . . ?
B14 B20 B15 59.2(3) . . ?
B21 B20 H20A 121.7 . . ?
B19 B20 H20A 117.9 . . ?
B22 B20 H20A 119.5 . . ?
B14 B20 H20A 118.0 . . ?
B15 B20 H20A 124.3 . . ?
B20 B21 B22 61.2(3) . . ?
B20 B21 B15 66.7(3) . . ?
B22 B21 B15 114.3(4) . . ?
B20 B21 B17 108.1(4) . . ?
B22 B21 B17 59.9(3) . . ?
B15 B21 B17 105.8(3) . . ?
B20 B21 B16 109.9(4) . . ?
B22 B21 B16 108.1(4) . . ?
B15 B21 B16 57.0(3) . . ?
B17 B21 B16 58.1(3) . . ?
B20 B21 H21A 118.5 . . ?
B22 B21 H21A 119.4 . . ?
B15 B21 H21A 119.3 . . ?
B17 B21 H21A 124.3 . . ?
B16 B21 H21A 123.6 . . ?
B21 B22 B20 58.4(3) . . ?
B21 B22 B18 112.7(4) . . ?
B20 B22 B18 105.6(4) . . ?
B21 B22 B19 105.3(3) . . ?
B20 B22 B19 57.4(3) . . ?
B18 B22 B19 57.3(3) . . ?
B21 B22 B17 64.5(3) . . ?
B20 B22 B17 109.5(3) . . ?
B18 B22 B17 63.2(3) . . ?
B19 B22 B17 107.6(4) . . ?
B21 B22 H22A 119.9 . . ?
B20 B22 H22A 123.9 . . ?
B18 B22 H22A 120.7 . . ?
B19 B22 H22A 125.3 . . ?
B17 B22 H22A 118.4 . . ?
C6 B23 B28 62.6(3) . . ?
C6 B23 B29 108.4(3) . . ?
B28 B23 B29 64.0(3) . . ?
C6 B23 C5 56.0(2) . . ?
B28 B23 C5 107.8(3) . . ?
B29 B23 C5 103.3(3) . . ?
C6 B23 B24 100.3(3) . . ?
B28 B23 B24 107.8(3) . . ?
B29 B23 B24 57.2(3) . . ?
C5 B23 B24 55.6(2) . . ?
C6 B23 H23A 123.9 . . ?
B28 B23 H23A 118.1 . . ?
B29 B23 H23A 121.7 . . ?
C5 B23 H23A 125.6 . . ?
B24 B23 H23A 126.5 . . ?
C5 B24 B29 105.9(3) . . ?
C5 B24 B25 59.5(3) . . ?
B29 B24 B25 112.7(4) . . ?
C5 B24 B30 106.9(4) . . ?
B29 B24 B30 63.4(3) . . ?
B25 B24 B30 61.6(3) . . ?
C5 B24 B23 59.2(2) . . ?
B29 B24 B23 56.6(3) . . ?
B25 B24 B23 108.2(3) . . ?
B30 B24 B23 106.7(3) . . ?
C5 B24 H24A 123.7 . . ?
B29 B24 H24A 120.7 . . ?
B25 B24 H24A 119.3 . . ?
B30 B24 H24A 120.8 . . ?
B23 B24 H24A 123.9 . . ?
B26 B25 C5 59.4(2) . . ?
B26 B25 B24 108.2(3) . . ?
C5 B25 B24 59.4(3) . . ?
B26 B25 B30 107.0(3) . . ?
C5 B25 B30 105.0(3) . . ?
B24 B25 B30 59.3(3) . . ?
B26 B25 B31 53.0(3) . . ?
C5 B25 B31 98.9(3) . . ?
B24 B25 B31 106.2(3) . . ?
B30 B25 B31 63.0(3) . . ?
B26 B25 H25 123.2 . . ?
C5 B25 H25 125.7 . . ?
B24 B25 H25 121.3 . . ?
B30 B25 H25 120.9 . . ?
B31 B25 H25 126.1 . . ?
B31 B26 B25 69.8(3) . . ?
B31 B26 C5 113.0(3) . . ?
B25 B26 C5 61.6(3) . . ?
B31 B26 C6 101.9(3) . . ?
B25 B26 C6 106.5(3) . . ?
C5 B26 C6 56.3(2) . . ?
B31 B26 B27 55.0(3) . . ?
B25 B26 B27 109.9(3) . . ?
C5 B26 B27 102.5(3) . . ?
C6 B26 B27 55.5(2) . . ?
B31 B26 H26 119.6 . . ?
B25 B26 H26 116.5 . . ?
C5 B26 H26 122.2 . . ?
C6 B26 H26 127.6 . . ?
B27 B26 H26 126.3 . . ?
B31 B27 C6 104.9(3) . . ?
B31 B27 B28 115.3(4) . . ?
C6 B27 B28 60.7(3) . . ?
B31 B27 B32 64.4(3) . . ?
C6 B27 B32 105.3(3) . . ?
B28 B27 B32 61.5(3) . . ?
B31 B27 B26 54.8(3) . . ?
C6 B27 B26 59.2(3) . . ?
B28 B27 B26 110.0(3) . . ?
B32 B27 B26 104.8(3) . . ?
B31 B27 H27 120.3 . . ?
C6 B27 H27 124.3 . . ?
B28 B27 H27 117.1 . . ?
B32 B27 H27 121.9 . . ?
B26 B27 H27 124.7 . . ?
B23 B28 C6 58.0(3) . . ?
B23 B28 B27 108.2(4) . . ?
C6 B28 B27 58.0(3) . . ?
B23 B28 B32 107.4(4) . . ?
C6 B28 B32 102.1(3) . . ?
B27 B28 B32 59.8(3) . . ?
B23 B28 B29 59.9(3) . . ?
C6 B28 B29 102.1(3) . . ?
B27 B28 B29 107.4(3) . . ?
B32 B28 B29 59.3(3) . . ?
B23 B28 H28 121.3 . . ?
C6 B28 H28 126.8 . . ?
B27 B28 H28 121.3 . . ?
B32 B28 H28 123.3 . . ?
B29 B28 H28 123.3 . . ?
B23 B29 B24 66.2(3) . . ?
B23 B29 B32 104.7(4) . . ?
B24 B29 B32 104.5(4) . . ?
B23 B29 B28 56.1(3) . . ?
B24 B29 B28 108.8(4) . . ?
B32 B29 B28 59.7(3) . . ?
B23 B29 B30 110.4(4) . . ?
B24 B29 B30 58.7(3) . . ?
B32 B29 B30 57.2(3) . . ?
B28 B29 B30 106.4(4) . . ?
B23 B29 H29 120.5 . . ?
B24 B29 H29 120.4 . . ?
B32 B29 H29 125.2 . . ?
B28 B29 H29 123.1 . . ?
B30 B29 H29 122.4 . . ?
B32 B30 B24 105.7(3) . . ?
B32 B30 B25 108.6(4) . . ?
B24 B30 B25 59.1(3) . . ?
B32 B30 B29 59.4(3) . . ?
B24 B30 B29 58.0(3) . . ?
B25 B30 B29 106.4(3) . . ?
B32 B30 B31 58.4(3) . . ?
B24 B30 B31 104.3(3) . . ?
B25 B30 B31 60.5(3) . . ?
B29 B30 B31 103.8(3) . . ?
B32 B30 H30 122.0 . . ?
B24 B30 H30 124.1 . . ?
B25 B30 H30 121.0 . . ?
B29 B30 H30 123.9 . . ?
B31 B30 H30 124.2 . . ?
B26 B31 B27 70.3(3) . . ?
B26 B31 B32 114.1(3) . . ?
B27 B31 B32 61.8(3) . . ?
B26 B31 B25 57.2(3) . . ?
B27 B31 B25 111.9(3) . . ?
B32 B31 B25 102.7(3) . . ?
B26 B31 B30 104.9(3) . . ?
B27 B31 B30 106.9(3) . . ?
B32 B31 B30 55.4(3) . . ?
B25 B31 B30 56.5(3) . . ?
B26 B31 H31 117.6 . . ?
B27 B31 H31 116.0 . . ?
B32 B31 H31 122.7 . . ?
B25 B31 H31 125.0 . . ?
B30 B31 H31 126.9 . . ?
B30 B32 B27 109.4(4) . . ?
B30 B32 B29 63.4(3) . . ?
B27 B32 B29 107.8(3) . . ?
B30 B32 B28 112.4(3) . . ?
B27 B32 B28 58.6(3) . . ?
B29 B32 B28 61.0(3) . . ?
B30 B32 B31 66.2(3) . . ?
B27 B32 B31 53.8(3) . . ?
B29 B32 B31 112.6(4) . . ?
B28 B32 B31 104.1(3) . . ?
B30 B32 H32 116.3 . . ?
B27 B32 H32 125.0 . . ?
B29 B32 H32 118.9 . . ?
B28 B32 H32 122.5 . . ?
B31 B32 H32 122.1 . . ?
C2 C1 B5 108.4(3) . . ?
C2 C1 B4 110.8(3) . . ?
B5 C1 B4 64.5(3) . . ?
C2 C1 S1 114.1(2) . . ?
B5 C1 S1 126.5(3) . . ?
B4 C1 S1 123.2(3) . . ?
C2 C1 B6 61.4(2) . . ?
B5 C1 B6 59.3(2) . . ?
B4 C1 B6 113.6(3) . . ?
S1 C1 B6 117.5(3) . . ?
C2 C1 B3 60.1(3) . . ?
B5 C1 B3 114.1(3) . . ?
B4 C1 B3 63.0(3) . . ?
S1 C1 B3 114.5(3) . . ?
B6 C1 B3 112.6(3) . . ?
C1 C2 B3 65.9(3) . . ?
C1 C2 B6 64.5(3) . . ?
B3 C2 B6 120.0(3) . . ?
C1 C2 B7 112.6(3) . . ?
B3 C2 B7 114.0(3) . . ?
B6 C2 B7 60.4(3) . . ?
C1 C2 B8 111.4(3) . . ?
B3 C2 B8 58.9(2) . . ?
B6 C2 B8 113.5(3) . . ?
B7 C2 B8 63.3(3) . . ?
C1 C2 S2 119.6(2) . . ?
B3 C2 S2 116.1(3) . . ?
B6 C2 S2 116.6(3) . . ?
B7 C2 S2 118.0(3) . . ?
B8 C2 S2 119.2(3) . . ?
B16 C3 B15 61.4(3) . . ?
B16 C3 C4 67.1(3) . . ?
B15 C3 C4 114.6(3) . . ?
B16 C3 B13 113.4(3) . . ?
B15 C3 B13 110.8(3) . . ?
C4 C3 B13 58.4(2) . . ?
B16 C3 B14 113.7(3) . . ?
B15 C3 B14 61.9(3) . . ?
C4 C3 B14 111.1(3) . . ?
B13 C3 B14 61.2(3) . . ?
B16 C3 S3 116.7(3) . . ?
B15 C3 S3 114.0(3) . . ?
C4 C3 S3 123.8(2) . . ?
B13 C3 S3 124.0(3) . . ?
B14 C3 S3 115.6(3) . . ?
B13 C4 C3 62.3(2) . . ?
B13 C4 B18 60.8(3) . . ?
C3 C4 B18 108.8(3) . . ?
B13 C4 B17 109.2(3) . . ?
C3 C4 B17 104.1(3) . . ?
B18 C4 B17 61.3(3) . . ?
B13 C4 B16 107.6(3) . . ?
C3 C4 B16 55.9(2) . . ?
B18 C4 B16 108.2(3) . . ?
B17 C4 B16 58.9(2) . . ?
B13 C4 H4 120.0 . . ?
C3 C4 H4 123.5 . . ?
B18 C4 H4 120.2 . . ?
B17 C4 H4 122.6 . . ?
B16 C4 H4 123.5 . . ?
C6 C5 B26 63.4(3) . . ?
C6 C5 B24 109.0(3) . . ?
B26 C5 B24 109.2(3) . . ?
C6 C5 B25 110.0(3) . . ?
B26 C5 B25 58.9(2) . . ?
B24 C5 B25 61.1(3) . . ?
C6 C5 B23 57.2(3) . . ?
B26 C5 B23 111.4(3) . . ?
B24 C5 B23 65.3(3) . . ?
B25 C5 B23 114.3(3) . . ?
C6 C5 S4 126.9(3) . . ?
B26 C5 S4 116.7(3) . . ?
B24 C5 S4 118.5(3) . . ?
B25 C5 S4 112.7(2) . . ?
B23 C5 S4 124.8(3) . . ?
C5 C6 B23 66.9(3) . . ?
C5 C6 B27 113.9(3) . . ?
B23 C6 B27 112.1(3) . . ?
C5 C6 B28 114.0(3) . . ?
B23 C6 B28 59.4(3) . . ?
B27 C6 B28 61.3(3) . . ?
C5 C6 B26 60.3(2) . . ?
B23 C6 B26 116.8(3) . . ?
B27 C6 B26 65.3(3) . . ?
B28 C6 B26 115.4(3) . . ?
C5 C6 H6 117.5 . . ?
B23 C6 H6 117.4 . . ?
B27 C6 H6 118.6 . . ?
B28 C6 H6 119.6 . . ?
B26 C6 H6 116.2 . . ?
C12 C7 C8 118.7(3) . . ?
C12 C7 P1 118.4(3) . . ?
C8 C7 P1 122.3(3) . . ?
C7 C8 C9 118.3(3) . . ?
C7 C8 H8 120.9 . . ?
C9 C8 H8 120.9 . . ?
C10 C9 C8 121.3(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 120.8(4) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C12 C11 C10 117.1(3) . . ?
C12 C11 H11 121.5 . . ?
C10 C11 H11 121.5 . . ?
C7 C12 C11 123.4(3) . . ?
C7 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
C18 C13 C14 120.9(4) . . ?
C18 C13 P1 121.7(3) . . ?
C14 C13 P1 117.4(3) . . ?
C13 C14 C15 116.0(3) . . ?
C13 C14 H14 122.0 . . ?
C15 C14 H14 122.0 . . ?
C16 C15 C14 122.8(3) . . ?
C16 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
C17 C16 C15 118.4(4) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C17 C18 122.0(4) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C13 C18 C17 119.8(4) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C24 119.2(4) . . ?
C20 C19 P1 121.0(3) . . ?
C24 C19 P1 119.6(3) . . ?
C19 C20 C21 121.8(4) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C22 C21 C20 119.0(4) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C21 C22 C23 121.4(4) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C24 119.5(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C19 C24 C23 118.8(4) . . ?
C19 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
H1X O1W H1Y 109.5 . . ?
H2X O2W H2Y 125.3 . . ?
C7 P1 C19 106.70(17) . . ?
C7 P1 C13 103.58(17) . . ?
C19 P1 C13 104.70(18) . . ?
C7 P1 Ru1 113.65(13) . . ?
C19 P1 Ru1 111.59(12) . . ?
C13 P1 Ru1 115.73(12) . . ?
S4 Ru1 S3 116.41(5) . . ?
S4 Ru1 S2 118.74(6) . . ?
S3 Ru1 S2 122.27(5) . . ?
S4 Ru1 S1 101.05(5) . . ?
S3 Ru1 S1 97.73(4) . . ?
S2 Ru1 S1 87.56(4) . . ?
S4 Ru1 P1 84.04(4) . . ?
S3 Ru1 P1 83.92(4) . . ?
S2 Ru1 P1 85.95(4) . . ?
S1 Ru1 P1 173.14(3) . . ?
C1 S1 Ru1 108.85(13) . . ?
C2 S2 Ru1 109.01(13) . . ?
C3 S3 Ru1 125.30(13) . . ?
C5 S4 Ru1 120.78(12) . . ?

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
C2 B3 B4 C1 -32.7(3) . . . . ?
B8 B3 B4 C1 -97.3(3) . . . . ?
B9 B3 B4 C1 -134.9(3) . . . . ?
C2 B3 B4 B10 66.0(4) . . . . ?
B8 B3 B4 B10 1.4(4) . . . . ?
C1 B3 B4 B10 98.7(3) . . . . ?
B9 B3 B4 B10 -36.2(3) . . . . ?
C2 B3 B4 B9 102.2(3) . . . . ?
B8 B3 B4 B9 37.5(3) . . . . ?
C1 B3 B4 B9 134.9(3) . . . . ?
C2 B3 B4 B5 2.7(4) . . . . ?
B8 B3 B4 B5 -62.0(4) . . . . ?
C1 B3 B4 B5 35.4(3) . . . . ?
B9 B3 B4 B5 -99.5(3) . . . . ?
C1 B4 B5 B11 100.8(4) . . . . ?
B10 B4 B5 B11 -37.9(3) . . . . ?
B9 B4 B5 B11 0.2(4) . . . . ?
B3 B4 B5 B11 63.7(4) . . . . ?
B10 B4 B5 C1 -138.8(4) . . . . ?
B9 B4 B5 C1 -100.6(4) . . . . ?
B3 B4 B5 C1 -37.1(3) . . . . ?
C1 B4 B5 B6 35.3(3) . . . . ?
B10 B4 B5 B6 -103.5(4) . . . . ?
B9 B4 B5 B6 -65.4(4) . . . . ?
B3 B4 B5 B6 -1.8(4) . . . . ?
C1 B4 B5 B10 138.8(4) . . . . ?
B9 B4 B5 B10 38.1(3) . . . . ?
B3 B4 B5 B10 101.7(4) . . . . ?
C1 B5 B6 B11 138.3(4) . . . . ?
B10 B5 B6 B11 41.8(3) . . . . ?
B4 B5 B6 B11 104.9(4) . . . . ?
B11 B5 B6 C2 -104.8(4) . . . . ?
C1 B5 B6 C2 33.5(3) . . . . ?
B10 B5 B6 C2 -63.0(4) . . . . ?
B4 B5 B6 C2 0.1(4) . . . . ?
B11 B5 B6 B7 -41.6(3) . . . . ?
C1 B5 B6 B7 96.7(3) . . . . ?
B10 B5 B6 B7 0.2(4) . . . . ?
B4 B5 B6 B7 63.3(4) . . . . ?
B11 B5 B6 C1 -138.3(4) . . . . ?
B10 B5 B6 C1 -96.6(4) . . . . ?
B4 B5 B6 C1 -33.5(3) . . . . ?
B11 B6 B7 C2 -131.4(3) . . . . ?
B5 B6 B7 C2 -93.3(3) . . . . ?
C1 B6 B7 C2 -33.1(2) . . . . ?
B11 B6 B7 B12 -36.1(3) . . . . ?
B5 B6 B7 B12 2.1(4) . . . . ?
C2 B6 B7 B12 95.4(3) . . . . ?
C1 B6 B7 B12 62.3(3) . . . . ?
B5 B6 B7 B11 38.2(3) . . . . ?
C2 B6 B7 B11 131.4(3) . . . . ?
C1 B6 B7 B11 98.4(3) . . . . ?
B11 B6 B7 B8 -98.8(3) . . . . ?
B5 B6 B7 B8 -60.6(4) . . . . ?
C2 B6 B7 B8 32.7(3) . . . . ?
C1 B6 B7 B8 -0.4(3) . . . . ?
C1 B3 B8 C2 34.5(3) . . . . ?
B9 B3 B8 C2 129.0(3) . . . . ?
B4 B3 B8 C2 92.9(3) . . . . ?
C2 B3 B8 B9 -129.0(3) . . . . ?
C1 B3 B8 B9 -94.5(3) . . . . ?
B4 B3 B8 B9 -36.1(3) . . . . ?
C2 B3 B8 B12 -91.2(3) . . . . ?
C1 B3 B8 B12 -56.7(4) . . . . ?
B9 B3 B8 B12 37.8(3) . . . . ?
B4 B3 B8 B12 1.8(4) . . . . ?
C2 B3 B8 B7 -29.5(3) . . . . ?
C1 B3 B8 B7 5.0(4) . . . . ?
B9 B3 B8 B7 99.5(4) . . . . ?
B4 B3 B8 B7 63.5(4) . . . . ?
B6 B7 B8 B3 -3.0(4) . . . . ?
C2 B7 B8 B3 29.5(3) . . . . ?
B12 B7 B8 B3 -101.9(4) . . . . ?
B11 B7 B8 B3 -61.2(4) . . . . ?
B6 B7 B8 C2 -32.5(3) . . . . ?
B12 B7 B8 C2 -131.4(3) . . . . ?
B11 B7 B8 C2 -90.7(3) . . . . ?
B6 B7 B8 B9 62.5(4) . . . . ?
C2 B7 B8 B9 95.1(3) . . . . ?
B12 B7 B8 B9 -36.4(3) . . . . ?
B11 B7 B8 B9 4.3(4) . . . . ?
B6 B7 B8 B12 98.9(3) . . . . ?
C2 B7 B8 B12 131.4(3) . . . . ?
B11 B7 B8 B12 40.7(3) . . . . ?
C1 B4 B9 B10 -98.6(4) . . . . ?
B5 B4 B9 B10 -38.7(3) . . . . ?
B3 B4 B9 B10 -139.2(3) . . . . ?
C1 B4 B9 B8 4.8(4) . . . . ?
B10 B4 B9 B8 103.4(4) . . . . ?
B5 B4 B9 B8 64.7(4) . . . . ?
B3 B4 B9 B8 -35.8(3) . . . . ?
C1 B4 B9 B12 -59.0(4) . . . . ?
B10 B4 B9 B12 39.6(3) . . . . ?
B5 B4 B9 B12 0.9(4) . . . . ?
B3 B4 B9 B12 -99.6(3) . . . . ?
C1 B4 B9 B3 40.6(3) . . . . ?
B10 B4 B9 B3 139.2(3) . . . . ?
B5 B4 B9 B3 100.5(3) . . . . ?
B3 B8 B9 B10 101.3(4) . . . . ?
C2 B8 B9 B10 58.7(4) . . . . ?
B12 B8 B9 B10 -36.9(3) . . . . ?
B7 B8 B9 B10 -1.5(5) . . . . ?
B3 B8 B9 B4 37.9(3) . . . . ?
C2 B8 B9 B4 -4.8(4) . . . . ?
B12 B8 B9 B4 -100.4(4) . . . . ?
B7 B8 B9 B4 -65.0(4) . . . . ?
B3 B8 B9 B12 138.3(4) . . . . ?
C2 B8 B9 B12 95.6(3) . . . . ?
B7 B8 B9 B12 35.4(3) . . . . ?
C2 B8 B9 B3 -42.7(3) . . . . ?
B12 B8 B9 B3 -138.3(4) . . . . ?
B7 B8 B9 B3 -102.9(4) . . . . ?
C2 B3 B9 B10 -55.3(4) . . . . ?
B8 B3 B9 B10 -101.2(4) . . . . ?
C1 B3 B9 B10 0.2(4) . . . . ?
B4 B3 B9 B10 37.0(3) . . . . ?
C2 B3 B9 B4 -92.2(4) . . . . ?
B8 B3 B9 B4 -138.2(4) . . . . ?
C1 B3 B9 B4 -36.8(3) . . . . ?
C2 B3 B9 B8 45.9(3) . . . . ?
C1 B3 B9 B8 101.4(3) . . . . ?
B4 B3 B9 B8 138.2(4) . . . . ?
C2 B3 B9 B12 8.8(4) . . . . ?
B8 B3 B9 B12 -37.2(3) . . . . ?
C1 B3 B9 B12 64.2(4) . . . . ?
B4 B3 B9 B12 101.0(4) . . . . ?
B8 B9 B10 B4 -98.7(4) . . . . ?
B12 B9 B10 B4 -135.6(3) . . . . ?
B3 B9 B10 B4 -37.7(3) . . . . ?
B4 B9 B10 B5 40.2(3) . . . . ?
B8 B9 B10 B5 -58.5(4) . . . . ?
B12 B9 B10 B5 -95.4(3) . . . . ?
B3 B9 B10 B5 2.5(5) . . . . ?
B4 B9 B10 B12 135.6(3) . . . . ?
B8 B9 B10 B12 36.9(3) . . . . ?
B3 B9 B10 B12 97.9(4) . . . . ?
B4 B9 B10 B11 96.8(4) . . . . ?
B8 B9 B10 B11 -1.9(5) . . . . ?
B12 B9 B10 B11 -38.9(3) . . . . ?
B3 B9 B10 B11 59.0(4) . . . . ?
C1 B4 B10 B9 101.1(4) . . . . ?
B5 B4 B10 B9 136.2(3) . . . . ?
B3 B4 B10 B9 36.9(3) . . . . ?
C1 B4 B10 B5 -35.2(3) . . . . ?
B9 B4 B10 B5 -136.2(3) . . . . ?
B3 B4 B10 B5 -99.4(3) . . . . ?
C1 B4 B10 B12 60.1(4) . . . . ?
B9 B4 B10 B12 -40.9(3) . . . . ?
B5 B4 B10 B12 95.3(4) . . . . ?
B3 B4 B10 B12 -4.1(4) . . . . ?
C1 B4 B10 B11 -4.3(4) . . . . ?
B9 B4 B10 B11 -105.4(4) . . . . ?
B5 B4 B10 B11 30.9(3) . . . . ?
B3 B4 B10 B11 -68.5(4) . . . . ?
B11 B5 B10 B9 101.8(4) . . . . ?
C1 B5 B10 B9 -4.2(4) . . . . ?
B6 B5 B10 B9 62.6(4) . . . . ?
B4 B5 B10 B9 -39.9(3) . . . . ?
B11 B5 B10 B4 141.7(4) . . . . ?
C1 B5 B10 B4 35.6(3) . . . . ?
B6 B5 B10 B4 102.4(4) . . . . ?
B11 B5 B10 B12 36.9(3) . . . . ?
C1 B5 B10 B12 -69.1(4) . . . . ?
B6 B5 B10 B12 -2.3(4) . . . . ?
B4 B5 B10 B12 -104.8(4) . . . . ?
C1 B5 B10 B11 -106.1(4) . . . . ?
B6 B5 B10 B11 -39.2(3) . . . . ?
B4 B5 B10 B11 -141.7(4) . . . . ?
C1 B5 B11 B6 -39.3(3) . . . . ?
B10 B5 B11 B6 -137.5(3) . . . . ?
B4 B5 B11 B6 -102.7(4) . . . . ?
C1 B5 B11 B7 0.8(4) . . . . ?
B6 B5 B11 B7 40.1(3) . . . . ?
B10 B5 B11 B7 -97.4(3) . . . . ?
B4 B5 B11 B7 -62.6(4) . . . . ?
C1 B5 B11 B10 98.2(3) . . . . ?
B6 B5 B11 B10 137.5(3) . . . . ?
B4 B5 B11 B10 34.9(3) . . . . ?
C1 B5 B11 B12 62.2(4) . . . . ?
B6 B5 B11 B12 101.5(3) . . . . ?
B10 B5 B11 B12 -36.1(3) . . . . ?
B4 B5 B11 B12 -1.2(4) . . . . ?
C2 B6 B11 B5 91.6(4) . . . . ?
B7 B6 B11 B5 135.5(3) . . . . ?
C1 B6 B11 B5 35.3(3) . . . . ?
B5 B6 B11 B7 -135.5(3) . . . . ?
C2 B6 B11 B7 -43.9(3) . . . . ?
C1 B6 B11 B7 -100.2(3) . . . . ?
B5 B6 B11 B10 -39.3(3) . . . . ?
C2 B6 B11 B10 52.4(4) . . . . ?
B7 B6 B11 B10 96.2(4) . . . . ?
C1 B6 B11 B10 -4.0(4) . . . . ?
B5 B6 B11 B12 -100.6(4) . . . . ?
C2 B6 B11 B12 -9.0(4) . . . . ?
B7 B6 B11 B12 34.9(3) . . . . ?
C1 B6 B11 B12 -65.3(4) . . . . ?
B6 B7 B11 B5 -41.3(3) . . . . ?
C2 B7 B11 B5 -1.0(4) . . . . ?
B12 B7 B11 B5 98.8(4) . . . . ?
B8 B7 B11 B5 59.0(4) . . . . ?
C2 B7 B11 B6 40.3(3) . . . . ?
B12 B7 B11 B6 140.0(4) . . . . ?
B8 B7 B11 B6 100.2(4) . . . . ?
B6 B7 B11 B10 -105.5(4) . . . . ?
C2 B7 B11 B10 -65.3(4) . . . . ?
B12 B7 B11 B10 34.5(3) . . . . ?
B8 B7 B11 B10 -5.3(4) . . . . ?
B6 B7 B11 B12 -140.0(4) . . . . ?
C2 B7 B11 B12 -99.8(3) . . . . ?
B8 B7 B11 B12 -39.8(3) . . . . ?
B9 B10 B11 B5 -99.0(4) . . . . ?
B4 B10 B11 B5 -34.5(3) . . . . ?
B12 B10 B11 B5 -138.2(3) . . . . ?
B9 B10 B11 B6 -59.0(5) . . . . ?
B4 B10 B11 B6 5.4(5) . . . . ?
B5 B10 B11 B6 40.0(3) . . . . ?
B12 B10 B11 B6 -98.3(4) . . . . ?
B9 B10 B11 B7 4.6(4) . . . . ?
B4 B10 B11 B7 69.0(4) . . . . ?
B5 B10 B11 B7 103.5(3) . . . . ?
B12 B10 B11 B7 -34.7(3) . . . . ?
B9 B10 B11 B12 39.3(3) . . . . ?
B4 B10 B11 B12 103.7(4) . . . . ?
B5 B10 B11 B12 138.2(3) . . . . ?
B9 B10 B12 B7 -101.3(4) . . . . ?
B4 B10 B12 B7 -60.9(4) . . . . ?
B5 B10 B12 B7 3.6(4) . . . . ?
B11 B10 B12 B7 36.7(3) . . . . ?
B4 B10 B12 B9 40.4(3) . . . . ?
B5 B10 B12 B9 104.9(3) . . . . ?
B11 B10 B12 B9 138.0(3) . . . . ?
B9 B10 B12 B8 -35.4(3) . . . . ?
B4 B10 B12 B8 5.0(4) . . . . ?
B5 B10 B12 B8 69.5(4) . . . . ?
B11 B10 B12 B8 102.6(3) . . . . ?
B9 B10 B12 B11 -138.0(3) . . . . ?
B4 B10 B12 B11 -97.6(3) . . . . ?
B5 B10 B12 B11 -33.1(3) . . . . ?
B6 B7 B12 B10 -3.6(4) . . . . ?
C2 B7 B12 B10 56.7(4) . . . . ?
B11 B7 B12 B10 -37.0(3) . . . . ?
B8 B7 B12 B10 97.8(4) . . . . ?
B6 B7 B12 B9 -64.8(4) . . . . ?
C2 B7 B12 B9 -4.4(5) . . . . ?
B11 B7 B12 B9 -98.2(4) . . . . ?
B8 B7 B12 B9 36.7(3) . . . . ?
B6 B7 B12 B8 -101.5(3) . . . . ?
C2 B7 B12 B8 -41.1(3) . . . . ?
B11 B7 B12 B8 -134.8(3) . . . . ?
B6 B7 B12 B11 33.4(3) . . . . ?
C2 B7 B12 B11 93.8(4) . . . . ?
B8 B7 B12 B11 134.8(3) . . . . ?
B4 B9 B12 B10 -39.3(3) . . . . ?
B8 B9 B12 B10 -139.5(3) . . . . ?
B3 B9 B12 B10 -104.0(4) . . . . ?
B10 B9 B12 B7 101.5(4) . . . . ?
B4 B9 B12 B7 62.2(4) . . . . ?
B8 B9 B12 B7 -38.1(4) . . . . ?
B3 B9 B12 B7 -2.6(5) . . . . ?
B10 B9 B12 B8 139.5(3) . . . . ?
B4 B9 B12 B8 100.3(3) . . . . ?
B3 B9 B12 B8 35.5(3) . . . . ?
B10 B9 B12 B11 37.7(3) . . . . ?
B4 B9 B12 B11 -1.6(4) . . . . ?
B8 B9 B12 B11 -101.9(3) . . . . ?
B3 B9 B12 B11 -66.3(4) . . . . ?
B3 B8 B12 B10 -4.2(4) . . . . ?
C2 B8 B12 B10 -64.2(4) . . . . ?
B9 B8 B12 B10 34.5(3) . . . . ?
B7 B8 B12 B10 -104.6(4) . . . . ?
B3 B8 B12 B7 100.5(4) . . . . ?
C2 B8 B12 B7 40.4(3) . . . . ?
B9 B8 B12 B7 139.1(4) . . . . ?
B3 B8 B12 B9 -38.7(3) . . . . ?
C2 B8 B12 B9 -98.7(3) . . . . ?
B7 B8 B12 B9 -139.1(4) . . . . ?
B3 B8 B12 B11 60.0(4) . . . . ?
C2 B8 B12 B11 0.0(4) . . . . ?
B9 B8 B12 B11 98.6(4) . . . . ?
B7 B8 B12 B11 -40.5(3) . . . . ?
B5 B11 B12 B10 37.7(3) . . . . ?
B6 B11 B12 B10 103.8(4) . . . . ?
B7 B11 B12 B10 139.7(3) . . . . ?
B5 B11 B12 B7 -102.0(3) . . . . ?
B6 B11 B12 B7 -35.9(3) . . . . ?
B10 B11 B12 B7 -139.7(3) . . . . ?
B5 B11 B12 B9 1.8(4) . . . . ?
B6 B11 B12 B9 67.9(4) . . . . ?
B7 B11 B12 B9 103.8(3) . . . . ?
B10 B11 B12 B9 -35.9(3) . . . . ?
B5 B11 B12 B8 -60.6(4) . . . . ?
B6 B11 B12 B8 5.6(4) . . . . ?
B7 B11 B12 B8 41.5(3) . . . . ?
B10 B11 B12 B8 -98.2(3) . . . . ?
C4 B13 B14 B20 67.2(4) . . . . ?
B19 B13 B14 B20 -34.5(3) . . . . ?
C3 B13 B14 B20 99.1(4) . . . . ?
B18 B13 B14 B20 -1.3(5) . . . . ?
C4 B13 B14 C3 -31.9(3) . . . . ?
B19 B13 B14 C3 -133.6(3) . . . . ?
B18 B13 B14 C3 -100.4(4) . . . . ?
C4 B13 B14 B15 2.4(4) . . . . ?
B19 B13 B14 B15 -99.3(4) . . . . ?
C3 B13 B14 B15 34.2(3) . . . . ?
B18 B13 B14 B15 -66.2(4) . . . . ?
C4 B13 B14 B19 101.7(4) . . . . ?
C3 B13 B14 B19 133.6(3) . . . . ?
B18 B13 B14 B19 33.2(4) . . . . ?
B20 B14 B15 C3 -131.0(3) . . . . ?
B13 B14 B15 C3 -35.1(3) . . . . ?
B19 B14 B15 C3 -94.1(3) . . . . ?
B20 B14 B15 B16 -98.3(4) . . . . ?
C3 B14 B15 B16 32.7(3) . . . . ?
B13 B14 B15 B16 -2.4(5) . . . . ?
B19 B14 B15 B16 -61.4(4) . . . . ?
B20 B14 B15 B21 -28.3(3) . . . . ?
C3 B14 B15 B21 102.7(3) . . . . ?
B13 B14 B15 B21 67.6(4) . . . . ?
B19 B14 B15 B21 8.7(4) . . . . ?
C3 B14 B15 B20 131.0(3) . . . . ?
B13 B14 B15 B20 95.9(4) . . . . ?
B19 B14 B15 B20 36.9(3) . . . . ?
B21 B15 B16 C3 -132.1(4) . . . . ?
B14 B15 B16 C3 -33.8(3) . . . . ?
B20 B15 B16 C3 -95.3(4) . . . . ?
C3 B15 B16 B17 97.7(4) . . . . ?
B21 B15 B16 B17 -34.4(3) . . . . ?
B14 B15 B16 B17 63.9(4) . . . . ?
B20 B15 B16 B17 2.4(5) . . . . ?
C3 B15 B16 C4 35.4(3) . . . . ?
B21 B15 B16 C4 -96.7(3) . . . . ?
B14 B15 B16 C4 1.6(4) . . . . ?
B20 B15 B16 C4 -59.9(4) . . . . ?
C3 B15 B16 B21 132.1(4) . . . . ?
B14 B15 B16 B21 98.3(4) . . . . ?
B20 B15 B16 B21 36.8(3) . . . . ?
C3 B16 B17 B22 63.1(4) . . . . ?
B15 B16 B17 B22 0.6(5) . . . . ?
C4 B16 B17 B22 98.1(4) . . . . ?
B21 B16 B17 B22 -32.4(3) . . . . ?
C3 B16 B17 C4 -35.0(3) . . . . ?
B15 B16 B17 C4 -97.6(4) . . . . ?
B21 B16 B17 C4 -130.5(3) . . . . ?
C3 B16 B17 B18 2.0(4) . . . . ?
B15 B16 B17 B18 -60.5(4) . . . . ?
C4 B16 B17 B18 37.1(3) . . . . ?
B21 B16 B17 B18 -93.4(3) . . . . ?
C3 B16 B17 B21 95.5(3) . . . . ?
B15 B16 B17 B21 32.9(3) . . . . ?
C4 B16 B17 B21 130.5(3) . . . . ?
C4 B13 B18 B19 -139.7(4) . . . . ?
C3 B13 B18 B19 -100.1(4) . . . . ?
B14 B13 B18 B19 -35.2(4) . . . . ?
C4 B13 B18 B22 -98.4(4) . . . . ?
B19 B13 B18 B22 41.3(4) . . . . ?
C3 B13 B18 B22 -58.8(5) . . . . ?
B14 B13 B18 B22 6.1(5) . . . . ?
B19 B13 B18 C4 139.7(4) . . . . ?
C3 B13 B18 C4 39.7(3) . . . . ?
B14 B13 B18 C4 104.5(4) . . . . ?
C4 B13 B18 B17 -37.0(3) . . . . ?
B19 B13 B18 B17 102.7(4) . . . . ?
C3 B13 B18 B17 2.7(4) . . . . ?
B14 B13 B18 B17 67.5(4) . . . . ?
B22 B17 B18 B19 -39.3(3) . . . . ?
B16 B17 B18 B19 59.8(4) . . . . ?
C4 B17 B18 B19 97.9(3) . . . . ?
B21 B17 B18 B19 -3.6(4) . . . . ?
B16 B17 B18 B22 99.1(4) . . . . ?
C4 B17 B18 B22 137.2(3) . . . . ?
B21 B17 B18 B22 35.7(3) . . . . ?
B22 B17 B18 B13 -101.9(4) . . . . ?
B16 B17 B18 B13 -2.9(4) . . . . ?
C4 B17 B18 B13 35.3(3) . . . . ?
B21 B17 B18 B13 -66.2(4) . . . . ?
B22 B17 B18 C4 -137.2(3) . . . . ?
B16 B17 B18 C4 -38.2(3) . . . . ?
B21 B17 B18 C4 -101.5(3) . . . . ?
B22 B18 B19 B20 -34.5(4) . . . . ?
B13 B18 B19 B20 99.7(4) . . . . ?
C4 B18 B19 B20 66.0(5) . . . . ?
B17 B18 B19 B20 3.7(5) . . . . ?
B22 B18 B19 B13 -134.2(4) . . . . ?
C4 B18 B19 B13 -33.7(3) . . . . ?
B17 B18 B19 B13 -96.0(4) . . . . ?
B13 B18 B19 B22 134.2(4) . . . . ?
C4 B18 B19 B22 100.5(4) . . . . ?
B17 B18 B19 B22 38.1(3) . . . . ?
B22 B18 B19 B14 -99.4(4) . . . . ?
B13 B18 B19 B14 34.7(4) . . . . ?
C4 B18 B19 B14 1.1(5) . . . . ?
B17 B18 B19 B14 -61.3(5) . . . . ?
C4 B13 B19 B20 -66.9(4) . . . . ?
C3 B13 B19 B20 -3.8(4) . . . . ?
B18 B13 B19 B20 -104.7(4) . . . . ?
B14 B13 B19 B20 37.9(3) . . . . ?
C4 B13 B19 B18 37.9(3) . . . . ?
C3 B13 B19 B18 101.0(4) . . . . ?
B14 B13 B19 B18 142.6(4) . . . . ?
C4 B13 B19 B22 -3.6(5) . . . . ?
C3 B13 B19 B22 59.5(4) . . . . ?
B18 B13 B19 B22 -41.5(3) . . . . ?
B14 B13 B19 B22 101.1(4) . . . . ?
C4 B13 B19 B14 -104.8(4) . . . . ?
C3 B13 B19 B14 -41.7(3) . . . . ?
B18 B13 B19 B14 -142.6(4) . . . . ?
C3 B14 B19 B20 -98.5(4) . . . . ?
B15 B14 B19 B20 -40.8(3) . . . . ?
B13 B14 B19 B20 -137.5(4) . . . . ?
B20 B14 B19 B18 101.9(4) . . . . ?
C3 B14 B19 B18 3.4(5) . . . . ?
B15 B14 B19 B18 61.2(5) . . . . ?
B13 B14 B19 B18 -35.5(4) . . . . ?
B20 B14 B19 B13 137.5(4) . . . . ?
C3 B14 B19 B13 38.9(3) . . . . ?
B15 B14 B19 B13 96.7(3) . . . . ?
B20 B14 B19 B22 36.3(3) . . . . ?
C3 B14 B19 B22 -62.3(4) . . . . ?
B15 B14 B19 B22 -4.5(4) . . . . ?
B13 B14 B19 B22 -101.2(4) . . . . ?
B18 B19 B20 B21 -2.2(5) . . . . ?
B13 B19 B20 B21 64.2(5) . . . . ?
B22 B19 B20 B21 -37.2(4) . . . . ?
B14 B19 B20 B21 102.3(4) . . . . ?
B18 B19 B20 B22 35.0(4) . . . . ?
B13 B19 B20 B22 101.4(4) . . . . ?
B14 B19 B20 B22 139.5(3) . . . . ?
B18 B19 B20 B14 -104.4(4) . . . . ?
B13 B19 B20 B14 -38.1(3) . . . . ?
B22 B19 B20 B14 -139.5(3) . . . . ?
B18 B19 B20 B15 -64.4(5) . . . . ?
B13 B19 B20 B15 2.0(5) . . . . ?
B22 B19 B20 B15 -99.4(4) . . . . ?
B14 B19 B20 B15 40.1(3) . . . . ?
C3 B14 B20 B21 -10.3(5) . . . . ?
B15 B14 B20 B21 29.8(3) . . . . ?
B13 B14 B20 B21 -69.9(4) . . . . ?
B19 B14 B20 B21 -105.2(4) . . . . ?
C3 B14 B20 B19 94.9(3) . . . . ?
B15 B14 B20 B19 135.1(3) . . . . ?
B13 B14 B20 B19 35.3(3) . . . . ?
C3 B14 B20 B22 55.4(5) . . . . ?
B15 B14 B20 B22 95.5(4) . . . . ?
B13 B14 B20 B22 -4.3(5) . . . . ?
B19 B14 B20 B22 -39.6(4) . . . . ?
C3 B14 B20 B15 -40.2(3) . . . . ?
B13 B14 B20 B15 -99.8(3) . . . . ?
B19 B14 B20 B15 -135.1(3) . . . . ?
C3 B15 B20 B21 -103.1(4) . . . . ?
B16 B15 B20 B21 -41.7(4) . . . . ?
B14 B15 B20 B21 -146.4(4) . . . . ?
C3 B15 B20 B19 0.6(4) . . . . ?
B16 B15 B20 B19 62.0(5) . . . . ?
B21 B15 B20 B19 103.7(4) . . . . ?
B14 B15 B20 B19 -42.7(3) . . . . ?
C3 B15 B20 B22 -66.0(4) . . . . ?
B16 B15 B20 B22 -4.6(5) . . . . ?
B21 B15 B20 B22 37.2(3) . . . . ?
B14 B15 B20 B22 -109.2(4) . . . . ?
C3 B15 B20 B14 43.3(3) . . . . ?
B16 B15 B20 B14 104.7(4) . . . . ?
B21 B15 B20 B14 146.4(4) . . . . ?
B19 B20 B21 B22 38.2(4) . . . . ?
B14 B20 B21 B22 108.1(4) . . . . ?
B15 B20 B21 B22 138.4(4) . . . . ?
B19 B20 B21 B15 -100.2(4) . . . . ?
B22 B20 B21 B15 -138.4(4) . . . . ?
B14 B20 B21 B15 -30.3(4) . . . . ?
B19 B20 B21 B17 -0.3(5) . . . . ?
B22 B20 B21 B17 -38.5(3) . . . . ?
B14 B20 B21 B17 69.6(4) . . . . ?
B15 B20 B21 B17 99.9(4) . . . . ?
B19 B20 B21 B16 -62.1(5) . . . . ?
B22 B20 B21 B16 -100.3(4) . . . . ?
B14 B20 B21 B16 7.8(5) . . . . ?
B15 B20 B21 B16 38.1(3) . . . . ?
C3 B15 B21 B20 94.2(4) . . . . ?
B16 B15 B21 B20 136.2(4) . . . . ?
B14 B15 B21 B20 29.1(3) . . . . ?
C3 B15 B21 B22 54.5(5) . . . . ?
B16 B15 B21 B22 96.5(4) . . . . ?
B14 B15 B21 B22 -10.6(5) . . . . ?
B20 B15 B21 B22 -39.7(4) . . . . ?
C3 B15 B21 B17 -9.1(5) . . . . ?
B16 B15 B21 B17 33.0(3) . . . . ?
B14 B15 B21 B17 -74.2(4) . . . . ?
B20 B15 B21 B17 -103.3(4) . . . . ?
C3 B15 B21 B16 -42.1(3) . . . . ?
B14 B15 B21 B16 -107.1(4) . . . . ?
B20 B15 B21 B16 -136.2(4) . . . . ?
B22 B17 B21 B20 39.1(3) . . . . ?
B16 B17 B21 B20 -102.7(4) . . . . ?
C4 B17 B21 B20 -58.6(4) . . . . ?
B18 B17 B21 B20 2.4(4) . . . . ?
B16 B17 B21 B22 -141.7(4) . . . . ?
C4 B17 B21 B22 -97.7(4) . . . . ?
B18 B17 B21 B22 -36.7(3) . . . . ?
B22 B17 B21 B15 109.2(4) . . . . ?
B16 B17 B21 B15 -32.5(3) . . . . ?
C4 B17 B21 B15 11.6(4) . . . . ?
B18 B17 B21 B15 72.5(4) . . . . ?
B22 B17 B21 B16 141.7(4) . . . . ?
C4 B17 B21 B16 44.1(3) . . . . ?
B18 B17 B21 B16 105.0(3) . . . . ?
C3 B16 B21 B20 -1.7(4) . . . . ?
B15 B16 B21 B20 -42.5(4) . . . . ?
B17 B16 B21 B20 99.4(4) . . . . ?
C4 B16 B21 B20 57.0(4) . . . . ?
C3 B16 B21 B22 -66.7(4) . . . . ?
B15 B16 B21 B22 -107.6(4) . . . . ?
B17 B16 B21 B22 34.3(3) . . . . ?
C4 B16 B21 B22 -8.1(4) . . . . ?
C3 B16 B21 B15 40.9(3) . . . . ?
B17 B16 B21 B15 141.9(4) . . . . ?
C4 B16 B21 B15 99.5(3) . . . . ?
C3 B16 B21 B17 -101.0(4) . . . . ?
B15 B16 B21 B17 -141.9(4) . . . . ?
C4 B16 B21 B17 -42.4(3) . . . . ?
B15 B21 B22 B20 42.0(4) . . . . ?
B17 B21 B22 B20 136.8(4) . . . . ?
B16 B21 B22 B20 103.2(4) . . . . ?
B20 B21 B22 B18 -94.8(4) . . . . ?
B15 B21 B22 B18 -52.8(5) . . . . ?
B17 B21 B22 B18 42.0(3) . . . . ?
B16 B21 B22 B18 8.5(5) . . . . ?
B20 B21 B22 B19 -34.4(3) . . . . ?
B15 B21 B22 B19 7.7(5) . . . . ?
B17 B21 B22 B19 102.5(4) . . . . ?
B16 B21 B22 B19 68.9(4) . . . . ?
B20 B21 B22 B17 -136.8(4) . . . . ?
B15 B21 B22 B17 -94.8(4) . . . . ?
B16 B21 B22 B17 -33.6(3) . . . . ?
B19 B20 B22 B21 -139.7(4) . . . . ?
B14 B20 B22 B21 -99.3(4) . . . . ?
B15 B20 B22 B21 -36.0(3) . . . . ?
B21 B20 B22 B18 107.4(4) . . . . ?
B19 B20 B22 B18 -32.3(4) . . . . ?
B14 B20 B22 B18 8.1(5) . . . . ?
B15 B20 B22 B18 71.4(4) . . . . ?
B21 B20 B22 B19 139.7(4) . . . . ?
B14 B20 B22 B19 40.4(4) . . . . ?
B15 B20 B22 B19 103.7(4) . . . . ?
B21 B20 B22 B17 40.9(4) . . . . ?
B19 B20 B22 B17 -98.8(4) . . . . ?
B14 B20 B22 B17 -58.4(5) . . . . ?
B15 B20 B22 B17 4.9(5) . . . . ?
B19 B18 B22 B21 94.1(4) . . . . ?
B13 B18 B22 B21 53.4(5) . . . . ?
C4 B18 B22 B21 -5.0(5) . . . . ?
B17 B18 B22 B21 -42.6(3) . . . . ?
B19 B18 B22 B20 32.3(4) . . . . ?
B13 B18 B22 B20 -8.3(5) . . . . ?
C4 B18 B22 B20 -66.7(4) . . . . ?
B17 B18 B22 B20 -104.3(4) . . . . ?
B13 B18 B22 B19 -40.6(3) . . . . ?
C4 B18 B22 B19 -99.1(3) . . . . ?
B17 B18 B22 B19 -136.7(3) . . . . ?
B19 B18 B22 B17 136.7(3) . . . . ?
B13 B18 B22 B17 96.0(4) . . . . ?
C4 B18 B22 B17 37.6(3) . . . . ?
B20 B19 B22 B21 34.8(3) . . . . ?
B18 B19 B22 B21 -107.5(4) . . . . ?
B13 B19 B22 B21 -65.5(4) . . . . ?
B14 B19 B22 B21 -1.6(5) . . . . ?
B18 B19 B22 B20 -142.3(4) . . . . ?
B13 B19 B22 B20 -100.2(4) . . . . ?
B14 B19 B22 B20 -36.3(3) . . . . ?
B20 B19 B22 B18 142.3(4) . . . . ?
B13 B19 B22 B18 42.0(3) . . . . ?
B14 B19 B22 B18 105.9(4) . . . . ?
B20 B19 B22 B17 102.3(4) . . . . ?
B18 B19 B22 B17 -40.0(3) . . . . ?
B13 B19 B22 B17 2.1(5) . . . . ?
B14 B19 B22 B17 66.0(4) . . . . ?
B16 B17 B22 B21 34.6(3) . . . . ?
C4 B17 B22 B21 99.1(3) . . . . ?
B18 B17 B22 B21 136.2(3) . . . . ?
B16 B17 B22 B20 -3.5(5) . . . . ?
C4 B17 B22 B20 60.9(4) . . . . ?
B18 B17 B22 B20 98.0(4) . . . . ?
B21 B17 B22 B20 -38.2(3) . . . . ?
B16 B17 B22 B18 -101.6(4) . . . . ?
C4 B17 B22 B18 -37.1(3) . . . . ?
B21 B17 B22 B18 -136.2(3) . . . . ?
B16 B17 B22 B19 -64.3(4) . . . . ?
C4 B17 B22 B19 0.1(4) . . . . ?
B18 B17 B22 B19 37.2(3) . . . . ?
B21 B17 B22 B19 -99.0(4) . . . . ?
C6 B23 B24 C5 -35.5(3) . . . . ?
B28 B23 B24 C5 -99.8(4) . . . . ?
B29 B23 B24 C5 -140.8(4) . . . . ?
C6 B23 B24 B29 105.3(4) . . . . ?
B28 B23 B24 B29 41.0(4) . . . . ?
C5 B23 B24 B29 140.8(4) . . . . ?
C6 B23 B24 B25 -0.3(4) . . . . ?
B28 B23 B24 B25 -64.7(4) . . . . ?
B29 B23 B24 B25 -105.6(4) . . . . ?
C5 B23 B24 B25 35.2(3) . . . . ?
C6 B23 B24 B30 64.6(4) . . . . ?
B28 B23 B24 B30 0.3(5) . . . . ?
B29 B23 B24 B30 -40.7(3) . . . . ?
C5 B23 B24 B30 100.1(4) . . . . ?
C5 B24 B25 B26 35.2(3) . . . . ?
B29 B24 B25 B26 -60.4(4) . . . . ?
B30 B24 B25 B26 -99.3(4) . . . . ?
B23 B24 B25 B26 0.2(4) . . . . ?
B29 B24 B25 C5 -95.7(4) . . . . ?
B30 B24 B25 C5 -134.6(3) . . . . ?
B23 B24 B25 C5 -35.0(3) . . . . ?
C5 B24 B25 B30 134.6(3) . . . . ?
B29 B24 B25 B30 38.9(3) . . . . ?
B23 B24 B25 B30 99.6(4) . . . . ?
C5 B24 B25 B31 90.9(3) . . . . ?
B29 B24 B25 B31 -4.8(4) . . . . ?
B30 B24 B25 B31 -43.7(3) . . . . ?
B23 B24 B25 B31 55.9(4) . . . . ?
C5 B25 B26 B31 132.1(3) . . . . ?
B24 B25 B26 B31 96.9(4) . . . . ?
B30 B25 B26 B31 34.4(3) . . . . ?
B24 B25 B26 C5 -35.2(3) . . . . ?
B30 B25 B26 C5 -97.7(3) . . . . ?
B31 B25 B26 C5 -132.1(3) . . . . ?
C5 B25 B26 C6 35.1(3) . . . . ?
B24 B25 B26 C6 -0.1(4) . . . . ?
B30 B25 B26 C6 -62.5(4) . . . . ?
B31 B25 B26 C6 -97.0(4) . . . . ?
C5 B25 B26 B27 93.7(3) . . . . ?
B24 B25 B26 B27 58.5(4) . . . . ?
B30 B25 B26 B27 -3.9(4) . . . . ?
B31 B25 B26 B27 -38.4(3) . . . . ?
B25 B26 B27 B31 45.4(4) . . . . ?
C5 B26 B27 B31 109.4(4) . . . . ?
C6 B26 B27 B31 142.0(4) . . . . ?
B31 B26 B27 C6 -142.0(4) . . . . ?
B25 B26 B27 C6 -96.7(4) . . . . ?
C5 B26 B27 C6 -32.6(3) . . . . ?
B31 B26 B27 B28 -107.5(4) . . . . ?
B25 B26 B27 B28 -62.1(5) . . . . ?
C5 B26 B27 B28 2.0(4) . . . . ?
C6 B26 B27 B28 34.6(3) . . . . ?
B31 B26 B27 B32 -42.8(3) . . . . ?
B25 B26 B27 B32 2.6(4) . . . . ?
C5 B26 B27 B32 66.6(4) . . . . ?
C6 B26 B27 B32 99.2(3) . . . . ?
B29 B23 B28 C6 130.4(3) . . . . ?
C5 B23 B28 C6 34.0(3) . . . . ?
B24 B23 B28 C6 92.6(3) . . . . ?
C6 B23 B28 B27 -30.5(3) . . . . ?
B29 B23 B28 B27 100.0(4) . . . . ?
C5 B23 B28 B27 3.5(5) . . . . ?
B24 B23 B28 B27 62.2(4) . . . . ?
C6 B23 B28 B32 -93.6(4) . . . . ?
B29 B23 B28 B32 36.8(3) . . . . ?
C5 B23 B28 B32 -59.6(4) . . . . ?
B24 B23 B28 B32 -1.0(5) . . . . ?
C6 B23 B28 B29 -130.4(3) . . . . ?
C5 B23 B28 B29 -96.4(4) . . . . ?
B24 B23 B28 B29 -37.8(3) . . . . ?
B31 B27 B28 B23 -63.0(5) . . . . ?
C6 B27 B28 B23 30.5(3) . . . . ?
B32 B27 B28 B23 -100.0(4) . . . . ?
B26 B27 B28 B23 -3.5(5) . . . . ?
B31 B27 B28 C6 -93.5(4) . . . . ?
B32 B27 B28 C6 -130.5(3) . . . . ?
B26 B27 B28 C6 -34.0(3) . . . . ?
B31 B27 B28 B32 36.9(4) . . . . ?
C6 B27 B28 B32 130.5(3) . . . . ?
B26 B27 B28 B32 96.5(4) . . . . ?
B31 B27 B28 B29 0.2(5) . . . . ?
C6 B27 B28 B29 93.7(3) . . . . ?
B32 B27 B28 B29 -36.8(3) . . . . ?
B26 B27 B28 B29 59.7(4) . . . . ?
C6 B23 B29 B24 -90.6(4) . . . . ?
B28 B23 B29 B24 -136.0(4) . . . . ?
C5 B23 B29 B24 -32.4(3) . . . . ?
C6 B23 B29 B32 9.0(5) . . . . ?
B28 B23 B29 B32 -36.4(3) . . . . ?
C5 B23 B29 B32 67.2(4) . . . . ?
B24 B23 B29 B32 99.6(4) . . . . ?
C6 B23 B29 B28 45.4(3) . . . . ?
C5 B23 B29 B28 103.6(4) . . . . ?
B24 B23 B29 B28 136.0(4) . . . . ?
C6 B23 B29 B30 -51.0(5) . . . . ?
B28 B23 B29 B30 -96.4(4) . . . . ?
C5 B23 B29 B30 7.2(4) . . . . ?
B24 B23 B29 B30 39.6(3) . . . . ?
C5 B24 B29 B23 34.4(3) . . . . ?
B25 B24 B29 B23 97.5(4) . . . . ?
B30 B24 B29 B23 135.7(4) . . . . ?
C5 B24 B29 B32 -65.6(4) . . . . ?
B25 B24 B29 B32 -2.5(5) . . . . ?
B30 B24 B29 B32 35.7(3) . . . . ?
B23 B24 B29 B32 -100.0(4) . . . . ?
C5 B24 B29 B28 -3.2(5) . . . . ?
B25 B24 B29 B28 59.9(4) . . . . ?
B30 B24 B29 B28 98.1(4) . . . . ?
B23 B24 B29 B28 -37.6(3) . . . . ?
C5 B24 B29 B30 -101.3(4) . . . . ?
B25 B24 B29 B30 -38.2(3) . . . . ?
B23 B24 B29 B30 -135.7(4) . . . . ?
C6 B28 B29 B23 -41.3(3) . . . . ?
B27 B28 B29 B23 -101.3(4) . . . . ?
B32 B28 B29 B23 -138.3(4) . . . . ?
B23 B28 B29 B24 42.2(3) . . . . ?
C6 B28 B29 B24 0.9(4) . . . . ?
B27 B28 B29 B24 -59.1(4) . . . . ?
B32 B28 B29 B24 -96.1(4) . . . . ?
B23 B28 B29 B32 138.3(4) . . . . ?
C6 B28 B29 B32 97.0(3) . . . . ?
B27 B28 B29 B32 37.0(3) . . . . ?
B23 B28 B29 B30 104.0(4) . . . . ?
C6 B28 B29 B30 62.6(4) . . . . ?
B27 B28 B29 B30 2.6(4) . . . . ?
B32 B28 B29 B30 -34.4(3) . . . . ?
C5 B24 B30 B32 62.7(5) . . . . ?
B29 B24 B30 B32 -36.9(4) . . . . ?
B25 B24 B30 B32 102.6(4) . . . . ?
B23 B24 B30 B32 0.6(5) . . . . ?
C5 B24 B30 B25 -39.9(3) . . . . ?
B29 B24 B30 B25 -139.6(4) . . . . ?
B23 B24 B30 B25 -102.0(3) . . . . ?
C5 B24 B30 B29 99.6(4) . . . . ?
B25 B24 B30 B29 139.6(4) . . . . ?
B23 B24 B30 B29 37.5(3) . . . . ?
C5 B24 B30 B31 2.1(4) . . . . ?
B29 B24 B30 B31 -97.6(4) . . . . ?
B25 B24 B30 B31 42.0(3) . . . . ?
B23 B24 B30 B31 -60.0(4) . . . . ?
B26 B25 B30 B32 3.9(4) . . . . ?
C5 B25 B30 B32 -58.1(4) . . . . ?
B24 B25 B30 B32 -97.5(4) . . . . ?
B31 B25 B30 B32 34.4(3) . . . . ?
B26 B25 B30 B24 101.4(4) . . . . ?
C5 B25 B30 B24 39.4(3) . . . . ?
B31 B25 B30 B24 131.9(3) . . . . ?
B26 B25 B30 B29 66.5(4) . . . . ?
C5 B25 B30 B29 4.4(4) . . . . ?
B24 B25 B30 B29 -35.0(3) . . . . ?
B31 B25 B30 B29 96.9(4) . . . . ?
B26 B25 B30 B31 -30.4(3) . . . . ?
C5 B25 B30 B31 -92.5(3) . . . . ?
B24 B25 B30 B31 -131.9(3) . . . . ?
B23 B29 B30 B32 94.8(4) . . . . ?
B24 B29 B30 B32 137.8(4) . . . . ?
B28 B29 B30 B32 35.4(3) . . . . ?
B23 B29 B30 B24 -43.0(4) . . . . ?
B32 B29 B30 B24 -137.8(4) . . . . ?
B28 B29 B30 B24 -102.3(4) . . . . ?
B23 B29 B30 B25 -7.6(5) . . . . ?
B24 B29 B30 B25 35.5(3) . . . . ?
B32 B29 B30 B25 -102.3(4) . . . . ?
B28 B29 B30 B25 -66.9(4) . . . . ?
B23 B29 B30 B31 55.3(4) . . . . ?
B24 B29 B30 B31 98.3(4) . . . . ?
B32 B29 B30 B31 -39.4(3) . . . . ?
B28 B29 B30 B31 -4.0(4) . . . . ?
B25 B26 B31 B27 -134.6(3) . . . . ?
C5 B26 B31 B27 -89.4(4) . . . . ?
C6 B26 B31 B27 -31.2(3) . . . . ?
B25 B26 B31 B32 -89.9(4) . . . . ?
C5 B26 B31 B32 -44.7(5) . . . . ?
C6 B26 B31 B32 13.5(5) . . . . ?
B27 B26 B31 B32 44.7(3) . . . . ?
C5 B26 B31 B25 45.1(3) . . . . ?
C6 B26 B31 B25 103.3(3) . . . . ?
B27 B26 B31 B25 134.6(3) . . . . ?
B25 B26 B31 B30 -31.6(3) . . . . ?
C5 B26 B31 B30 13.6(5) . . . . ?
C6 B26 B31 B30 71.8(4) . . . . ?
B27 B26 B31 B30 103.0(4) . . . . ?
C6 B27 B31 B26 33.1(3) . . . . ?
B28 B27 B31 B26 97.4(4) . . . . ?
B32 B27 B31 B26 133.3(3) . . . . ?
C6 B27 B31 B32 -100.1(3) . . . . ?
B28 B27 B31 B32 -35.9(4) . . . . ?
B26 B27 B31 B32 -133.3(3) . . . . ?
C6 B27 B31 B25 -7.1(5) . . . . ?
B28 B27 B31 B25 57.2(5) . . . . ?
B32 B27 B31 B25 93.1(4) . . . . ?
B26 B27 B31 B25 -40.2(3) . . . . ?
C6 B27 B31 B30 -67.0(4) . . . . ?
B28 B27 B31 B30 -2.8(5) . . . . ?
B32 B27 B31 B30 33.1(3) . . . . ?
B26 B27 B31 B30 -100.2(3) . . . . ?
C5 B25 B31 B26 -40.3(3) . . . . ?
B24 B25 B31 B26 -100.8(4) . . . . ?
B30 B25 B31 B26 -142.6(4) . . . . ?
B26 B25 B31 B27 46.3(4) . . . . ?
C5 B25 B31 B27 6.0(5) . . . . ?
B24 B25 B31 B27 -54.6(5) . . . . ?
B30 B25 B31 B27 -96.4(4) . . . . ?
B26 B25 B31 B32 110.7(4) . . . . ?
C5 B25 B31 B32 70.4(4) . . . . ?
B24 B25 B31 B32 9.8(4) . . . . ?
B30 B25 B31 B32 -32.0(3) . . . . ?
B26 B25 B31 B30 142.6(4) . . . . ?
C5 B25 B31 B30 102.4(3) . . . . ?
B24 B25 B31 B30 41.8(3) . . . . ?
B32 B30 B31 B26 -109.3(4) . . . . ?
B24 B30 B31 B26 -9.4(5) . . . . ?
B25 B30 B31 B26 31.9(3) . . . . ?
B29 B30 B31 B26 -69.3(4) . . . . ?
B32 B30 B31 B27 -35.7(3) . . . . ?
B24 B30 B31 B27 64.1(5) . . . . ?
B25 B30 B31 B27 105.4(4) . . . . ?
B29 B30 B31 B27 4.2(4) . . . . ?
B24 B30 B31 B32 99.8(4) . . . . ?
B25 B30 B31 B32 141.1(3) . . . . ?
B29 B30 B31 B32 39.9(3) . . . . ?
B32 B30 B31 B25 -141.1(3) . . . . ?
B24 B30 B31 B25 -41.3(3) . . . . ?
B29 B30 B31 B25 -101.2(3) . . . . ?
B24 B30 B32 B27 -64.4(5) . . . . ?
B25 B30 B32 B27 -2.3(5) . . . . ?
B29 B30 B32 B27 -100.7(4) . . . . ?
B31 B30 B32 B27 32.9(3) . . . . ?
B24 B30 B32 B29 36.3(3) . . . . ?
B25 B30 B32 B29 98.4(3) . . . . ?
B31 B30 B32 B29 133.6(3) . . . . ?
B24 B30 B32 B28 -1.3(5) . . . . ?
B25 B30 B32 B28 60.8(5) . . . . ?
B29 B30 B32 B28 -37.6(4) . . . . ?
B31 B30 B32 B28 96.0(4) . . . . ?
B24 B30 B32 B31 -97.3(4) . . . . ?
B25 B30 B32 B31 -35.2(3) . . . . ?
B29 B30 B32 B31 -133.6(3) . . . . ?
B31 B27 B32 B30 -38.0(3) . . . . ?
C6 B27 B32 B30 61.5(4) . . . . ?
B28 B27 B32 B30 105.0(4) . . . . ?
B26 B27 B32 B30 0.0(4) . . . . ?
B31 B27 B32 B29 -105.3(4) . . . . ?
C6 B27 B32 B29 -5.8(4) . . . . ?
B28 B27 B32 B29 37.6(3) . . . . ?
B26 B27 B32 B29 -67.4(4) . . . . ?
B31 B27 B32 B28 -143.0(4) . . . . ?
C6 B27 B32 B28 -43.5(3) . . . . ?
B26 B27 B32 B28 -105.0(3) . . . . ?
C6 B27 B32 B31 99.5(3) . . . . ?
B28 B27 B32 B31 143.0(4) . . . . ?
B26 B27 B32 B31 38.0(3) . . . . ?
B23 B29 B32 B30 -105.1(4) . . . . ?
B24 B29 B32 B30 -36.4(3) . . . . ?
B28 B29 B32 B30 -139.9(4) . . . . ?
B23 B29 B32 B27 -1.8(5) . . . . ?
B24 B29 B32 B27 67.0(4) . . . . ?
B28 B29 B32 B27 -36.6(3) . . . . ?
B30 B29 B32 B27 103.3(4) . . . . ?
B23 B29 B32 B28 34.8(3) . . . . ?
B24 B29 B32 B28 103.5(4) . . . . ?
B30 B29 B32 B28 139.9(4) . . . . ?
B23 B29 B32 B31 -59.2(5) . . . . ?
B24 B29 B32 B31 9.5(5) . . . . ?
B28 B29 B32 B31 -94.0(4) . . . . ?
B30 B29 B32 B31 45.9(4) . . . . ?
B23 B28 B32 B30 1.5(5) . . . . ?
C6 B28 B32 B30 -58.5(5) . . . . ?
B27 B28 B32 B30 -99.8(4) . . . . ?
B29 B28 B32 B30 38.6(4) . . . . ?
B23 B28 B32 B27 101.3(4) . . . . ?
C6 B28 B32 B27 41.3(3) . . . . ?
B29 B28 B32 B27 138.4(4) . . . . ?
B23 B28 B32 B29 -37.1(3) . . . . ?
C6 B28 B32 B29 -97.0(4) . . . . ?
B27 B28 B32 B29 -138.4(4) . . . . ?
B23 B28 B32 B31 71.2(4) . . . . ?
C6 B28 B32 B31 11.2(4) . . . . ?
B27 B28 B32 B31 -30.1(3) . . . . ?
B29 B28 B32 B31 108.3(4) . . . . ?
B26 B31 B32 B30 91.9(4) . . . . ?
B27 B31 B32 B30 140.6(3) . . . . ?
B25 B31 B32 B30 32.4(3) . . . . ?
B26 B31 B32 B27 -48.7(4) . . . . ?
B25 B31 B32 B27 -108.2(3) . . . . ?
B30 B31 B32 B27 -140.6(3) . . . . ?
B26 B31 B32 B29 47.4(5) . . . . ?
B27 B31 B32 B29 96.1(4) . . . . ?
B25 B31 B32 B29 -12.1(4) . . . . ?
B30 B31 B32 B29 -44.5(3) . . . . ?
B26 B31 B32 B28 -16.7(5) . . . . ?
B27 B31 B32 B28 32.0(3) . . . . ?
B25 B31 B32 B28 -76.2(4) . . . . ?
B30 B31 B32 B28 -108.6(4) . . . . ?
B11 B5 C1 C2 -0.2(4) . . . . ?
B6 B5 C1 C2 -38.2(3) . . . . ?
B10 B5 C1 C2 69.3(4) . . . . ?
B4 B5 C1 C2 104.8(4) . . . . ?
B11 B5 C1 B4 -105.0(4) . . . . ?
B6 B5 C1 B4 -143.0(4) . . . . ?
B10 B5 C1 B4 -35.5(3) . . . . ?
B11 B5 C1 S1 141.3(3) . . . . ?
B6 B5 C1 S1 103.3(4) . . . . ?
B10 B5 C1 S1 -149.2(3) . . . . ?
B4 B5 C1 S1 -113.7(4) . . . . ?
B11 B5 C1 B6 38.0(3) . . . . ?
B10 B5 C1 B6 107.6(4) . . . . ?
B4 B5 C1 B6 143.0(4) . . . . ?
B11 B5 C1 B3 -65.0(4) . . . . ?
B6 B5 C1 B3 -103.0(3) . . . . ?
B10 B5 C1 B3 4.6(4) . . . . ?
B4 B5 C1 B3 40.0(3) . . . . ?
B10 B4 C1 C2 -64.7(4) . . . . ?
B9 B4 C1 C2 -2.8(4) . . . . ?
B5 B4 C1 C2 -101.2(3) . . . . ?
B3 B4 C1 C2 37.6(3) . . . . ?
B10 B4 C1 B5 36.5(3) . . . . ?
B9 B4 C1 B5 98.4(4) . . . . ?
B3 B4 C1 B5 138.7(3) . . . . ?
B10 B4 C1 S1 154.9(3) . . . . ?
B9 B4 C1 S1 -143.2(3) . . . . ?
B5 B4 C1 S1 118.4(4) . . . . ?
B3 B4 C1 S1 -102.9(3) . . . . ?
B10 B4 C1 B6 2.2(5) . . . . ?
B9 B4 C1 B6 64.0(4) . . . . ?
B5 B4 C1 B6 -34.4(3) . . . . ?
B3 B4 C1 B6 104.4(4) . . . . ?
B10 B4 C1 B3 -102.2(4) . . . . ?
B9 B4 C1 B3 -40.4(3) . . . . ?
B5 B4 C1 B3 -138.7(3) . . . . ?
B11 B6 C1 C2 102.9(4) . . . . ?
B5 B6 C1 C2 138.0(3) . . . . ?
B7 B6 C1 C2 36.2(3) . . . . ?
B11 B6 C1 B5 -35.1(3) . . . . ?
C2 B6 C1 B5 -138.0(3) . . . . ?
B7 B6 C1 B5 -101.8(3) . . . . ?
B11 B6 C1 B4 1.2(5) . . . . ?
B5 B6 C1 B4 36.3(3) . . . . ?
C2 B6 C1 B4 -101.7(4) . . . . ?
B7 B6 C1 B4 -65.5(4) . . . . ?
B11 B6 C1 S1 -153.2(3) . . . . ?
B5 B6 C1 S1 -118.1(3) . . . . ?
C2 B6 C1 S1 103.9(3) . . . . ?
B7 B6 C1 S1 140.1(3) . . . . ?
B11 B6 C1 B3 70.4(4) . . . . ?
B5 B6 C1 B3 105.5(3) . . . . ?
C2 B6 C1 B3 -32.5(3) . . . . ?
B7 B6 C1 B3 3.7(4) . . . . ?
B8 B3 C1 C2 -38.6(3) . . . . ?
B9 B3 C1 C2 -101.3(3) . . . . ?
B4 B3 C1 C2 -138.9(3) . . . . ?
C2 B3 C1 B5 98.2(3) . . . . ?
B8 B3 C1 B5 59.7(4) . . . . ?
B9 B3 C1 B5 -3.1(4) . . . . ?
B4 B3 C1 B5 -40.7(3) . . . . ?
C2 B3 C1 B4 138.9(3) . . . . ?
B8 B3 C1 B4 100.3(3) . . . . ?
B9 B3 C1 B4 37.6(3) . . . . ?
C2 B3 C1 S1 -104.8(3) . . . . ?
B8 B3 C1 S1 -143.3(3) . . . . ?
B9 B3 C1 S1 153.9(3) . . . . ?
B4 B3 C1 S1 116.3(3) . . . . ?
C2 B3 C1 B6 33.0(3) . . . . ?
B8 B3 C1 B6 -5.6(4) . . . . ?
B9 B3 C1 B6 -68.3(4) . . . . ?
B4 B3 C1 B6 -105.9(3) . . . . ?
B5 C1 C2 B3 -107.7(3) . . . . ?
B4 C1 C2 B3 -38.8(3) . . . . ?
S1 C1 C2 B3 105.5(3) . . . . ?
B6 C1 C2 B3 -145.1(3) . . . . ?
B5 C1 C2 B6 37.3(3) . . . . ?
B4 C1 C2 B6 106.3(3) . . . . ?
S1 C1 C2 B6 -109.4(3) . . . . ?
B3 C1 C2 B6 145.1(3) . . . . ?
B5 C1 C2 B7 -0.5(4) . . . . ?
B4 C1 C2 B7 68.5(4) . . . . ?
S1 C1 C2 B7 -147.2(3) . . . . ?
B6 C1 C2 B7 -37.8(3) . . . . ?
B3 C1 C2 B7 107.3(3) . . . . ?
B5 C1 C2 B8 -69.4(4) . . . . ?
B4 C1 C2 B8 -0.4(4) . . . . ?
S1 C1 C2 B8 143.9(3) . . . . ?
B6 C1 C2 B8 -106.7(3) . . . . ?
B3 C1 C2 B8 38.4(3) . . . . ?
B5 C1 C2 S2 144.8(3) . . . . ?
B4 C1 C2 S2 -146.2(3) . . . . ?
S1 C1 C2 S2 -2.0(4) . . . . ?
B6 C1 C2 S2 107.5(3) . . . . ?
B3 C1 C2 S2 -107.5(3) . . . . ?
B8 B3 C2 C1 137.5(3) . . . . ?
B9 B3 C2 C1 92.7(3) . . . . ?
B4 B3 C2 C1 33.6(3) . . . . ?
B8 B3 C2 B6 100.9(4) . . . . ?
C1 B3 C2 B6 -36.7(3) . . . . ?
B9 B3 C2 B6 56.0(4) . . . . ?
B4 B3 C2 B6 -3.0(4) . . . . ?
B8 B3 C2 B7 32.4(4) . . . . ?
C1 B3 C2 B7 -105.1(3) . . . . ?
B9 B3 C2 B7 -12.5(5) . . . . ?
B4 B3 C2 B7 -71.5(4) . . . . ?
C1 B3 C2 B8 -137.5(3) . . . . ?
B9 B3 C2 B8 -44.9(3) . . . . ?
B4 B3 C2 B8 -103.9(3) . . . . ?
B8 B3 C2 S2 -109.9(3) . . . . ?
C1 B3 C2 S2 112.6(3) . . . . ?
B9 B3 C2 S2 -154.7(3) . . . . ?
B4 B3 C2 S2 146.2(3) . . . . ?
B11 B6 C2 C1 -94.0(3) . . . . ?
B5 B6 C2 C1 -35.1(3) . . . . ?
B7 B6 C2 C1 -139.4(3) . . . . ?
B11 B6 C2 B3 -56.8(4) . . . . ?
B5 B6 C2 B3 2.0(4) . . . . ?
B7 B6 C2 B3 -102.3(4) . . . . ?
C1 B6 C2 B3 37.1(3) . . . . ?
B11 B6 C2 B7 45.4(3) . . . . ?
B5 B6 C2 B7 104.3(3) . . . . ?
C1 B6 C2 B7 139.4(3) . . . . ?
B11 B6 C2 B8 9.6(4) . . . . ?
B5 B6 C2 B8 68.4(4) . . . . ?
B7 B6 C2 B8 -35.9(3) . . . . ?
C1 B6 C2 B8 103.6(3) . . . . ?
B11 B6 C2 S2 154.1(3) . . . . ?
B5 B6 C2 S2 -147.1(3) . . . . ?
B7 B6 C2 S2 108.7(3) . . . . ?
C1 B6 C2 S2 -111.9(3) . . . . ?
B6 B7 C2 C1 39.5(3) . . . . ?
B12 B7 C2 C1 -61.9(4) . . . . ?
B11 B7 C2 C1 0.9(4) . . . . ?
B8 B7 C2 C1 -103.5(3) . . . . ?
B6 B7 C2 B3 112.1(4) . . . . ?
B12 B7 C2 B3 10.7(5) . . . . ?
B11 B7 C2 B3 73.5(4) . . . . ?
B8 B7 C2 B3 -30.9(3) . . . . ?
B12 B7 C2 B6 -101.4(4) . . . . ?
B11 B7 C2 B6 -38.6(3) . . . . ?
B8 B7 C2 B6 -143.0(3) . . . . ?
B6 B7 C2 B8 143.0(3) . . . . ?
B12 B7 C2 B8 41.6(3) . . . . ?
B11 B7 C2 B8 104.4(3) . . . . ?
B6 B7 C2 S2 -106.4(3) . . . . ?
B12 B7 C2 S2 152.2(3) . . . . ?
B11 B7 C2 S2 -145.0(3) . . . . ?
B8 B7 C2 S2 110.6(3) . . . . ?
B3 B8 C2 C1 -41.5(3) . . . . ?
B9 B8 C2 C1 3.3(4) . . . . ?
B12 B8 C2 C1 65.0(4) . . . . ?
B7 B8 C2 C1 105.3(3) . . . . ?
B9 B8 C2 B3 44.8(3) . . . . ?
B12 B8 C2 B3 106.4(3) . . . . ?
B7 B8 C2 B3 146.8(3) . . . . ?
B3 B8 C2 B6 -112.0(4) . . . . ?
B9 B8 C2 B6 -67.2(4) . . . . ?
B12 B8 C2 B6 -5.6(4) . . . . ?
B7 B8 C2 B6 34.8(3) . . . . ?
B3 B8 C2 B7 -146.8(3) . . . . ?
B9 B8 C2 B7 -102.0(3) . . . . ?
B12 B8 C2 B7 -40.3(3) . . . . ?
B3 B8 C2 S2 104.5(3) . . . . ?
B9 B8 C2 S2 149.3(3) . . . . ?
B12 B8 C2 S2 -149.1(3) . . . . ?
B7 B8 C2 S2 -108.7(3) . . . . ?
B17 B16 C3 B15 -102.1(4) . . . . ?
C4 B16 C3 B15 -138.2(3) . . . . ?
B21 B16 C3 B15 -39.5(3) . . . . ?
B15 B16 C3 C4 138.2(3) . . . . ?
B17 B16 C3 C4 36.1(3) . . . . ?
B21 B16 C3 C4 98.7(3) . . . . ?
B15 B16 C3 B13 101.8(4) . . . . ?
B17 B16 C3 B13 -0.3(4) . . . . ?
C4 B16 C3 B13 -36.5(3) . . . . ?
B21 B16 C3 B13 62.3(4) . . . . ?
B15 B16 C3 B14 34.4(3) . . . . ?
B17 B16 C3 B14 -67.8(4) . . . . ?
C4 B16 C3 B14 -103.9(3) . . . . ?
B21 B16 C3 B14 -5.1(4) . . . . ?
B15 B16 C3 S3 -104.2(3) . . . . ?
B17 B16 C3 S3 153.7(3) . . . . ?
C4 B16 C3 S3 117.6(3) . . . . ?
B21 B16 C3 S3 -143.7(3) . . . . ?
B21 B15 C3 B16 45.6(4) . . . . ?
B14 B15 C3 B16 144.2(3) . . . . ?
B20 B15 C3 B16 103.2(4) . . . . ?
B16 B15 C3 C4 -42.4(3) . . . . ?
B21 B15 C3 C4 3.2(5) . . . . ?
B14 B15 C3 C4 101.7(3) . . . . ?
B20 B15 C3 C4 60.8(4) . . . . ?
B16 B15 C3 B13 -106.1(3) . . . . ?
B21 B15 C3 B13 -60.5(4) . . . . ?
B14 B15 C3 B13 38.1(3) . . . . ?
B20 B15 C3 B13 -2.9(4) . . . . ?
B16 B15 C3 B14 -144.2(3) . . . . ?
B21 B15 C3 B14 -98.6(4) . . . . ?
B20 B15 C3 B14 -41.0(3) . . . . ?
B16 B15 C3 S3 108.4(3) . . . . ?
B21 B15 C3 S3 154.0(3) . . . . ?
B14 B15 C3 S3 -107.4(3) . . . . ?
B20 B15 C3 S3 -148.4(3) . . . . ?
C4 B13 C3 B16 40.0(3) . . . . ?
B19 B13 C3 B16 -62.5(4) . . . . ?
B18 B13 C3 B16 -1.6(5) . . . . ?
B14 B13 C3 B16 -105.2(4) . . . . ?
C4 B13 C3 B15 106.8(3) . . . . ?
B19 B13 C3 B15 4.3(4) . . . . ?
B18 B13 C3 B15 65.2(4) . . . . ?
B14 B13 C3 B15 -38.4(3) . . . . ?
B19 B13 C3 C4 -102.5(3) . . . . ?
B18 B13 C3 C4 -41.6(3) . . . . ?
B14 B13 C3 C4 -145.2(3) . . . . ?
C4 B13 C3 B14 145.2(3) . . . . ?
B19 B13 C3 B14 42.7(3) . . . . ?
B18 B13 C3 B14 103.6(4) . . . . ?
C4 B13 C3 S3 -111.9(3) . . . . ?
B19 B13 C3 S3 145.6(3) . . . . ?
B18 B13 C3 S3 -153.4(3) . . . . ?
B14 B13 C3 S3 102.9(3) . . . . ?
B20 B14 C3 B16 9.7(5) . . . . ?
B15 B14 C3 B16 -34.2(3) . . . . ?
B13 B14 C3 B16 104.7(4) . . . . ?
B19 B14 C3 B16 66.4(4) . . . . ?
B20 B14 C3 B15 43.9(3) . . . . ?
B13 B14 C3 B15 138.9(3) . . . . ?
B19 B14 C3 B15 100.5(4) . . . . ?
B20 B14 C3 C4 -63.6(4) . . . . ?
B15 B14 C3 C4 -107.5(3) . . . . ?
B13 B14 C3 C4 31.4(3) . . . . ?
B19 B14 C3 C4 -6.9(4) . . . . ?
B20 B14 C3 B13 -95.0(4) . . . . ?
B15 B14 C3 B13 -138.9(3) . . . . ?
B19 B14 C3 B13 -38.3(3) . . . . ?
B20 B14 C3 S3 148.7(3) . . . . ?
B15 B14 C3 S3 104.8(3) . . . . ?
B13 B14 C3 S3 -116.3(3) . . . . ?
B19 B14 C3 S3 -154.7(3) . . . . ?
B19 B13 C4 C3 99.9(4) . . . . ?
B18 B13 C4 C3 135.3(3) . . . . ?
B14 B13 C4 C3 32.4(3) . . . . ?
B19 B13 C4 B18 -35.4(3) . . . . ?
C3 B13 C4 B18 -135.3(3) . . . . ?
B14 B13 C4 B18 -103.0(4) . . . . ?
B19 B13 C4 B17 3.7(4) . . . . ?
C3 B13 C4 B17 -96.2(3) . . . . ?
B18 B13 C4 B17 39.1(3) . . . . ?
B14 B13 C4 B17 -63.9(4) . . . . ?
B19 B13 C4 B16 66.1(4) . . . . ?
C3 B13 C4 B16 -33.8(3) . . . . ?
B18 B13 C4 B16 101.5(3) . . . . ?
B14 B13 C4 B16 -1.5(4) . . . . ?
B16 C3 C4 B13 -140.2(3) . . . . ?
B15 C3 C4 B13 -100.2(4) . . . . ?
B14 C3 C4 B13 -32.4(3) . . . . ?
S3 C3 C4 B13 112.2(3) . . . . ?
B16 C3 C4 B18 -99.7(4) . . . . ?
B15 C3 C4 B18 -59.7(4) . . . . ?
B13 C3 C4 B18 40.4(3) . . . . ?
B14 C3 C4 B18 8.0(4) . . . . ?
S3 C3 C4 B18 152.6(3) . . . . ?
B16 C3 C4 B17 -35.6(3) . . . . ?
B15 C3 C4 B17 4.4(4) . . . . ?
B13 C3 C4 B17 104.5(3) . . . . ?
B14 C3 C4 B17 72.1(4) . . . . ?
S3 C3 C4 B17 -143.3(3) . . . . ?
B15 C3 C4 B16 40.0(3) . . . . ?
B13 C3 C4 B16 140.2(3) . . . . ?
B14 C3 C4 B16 107.8(4) . . . . ?
S3 C3 C4 B16 -107.6(3) . . . . ?
B19 B18 C4 B13 35.6(3) . . . . ?
B22 B18 C4 B13 99.9(4) . . . . ?
B17 B18 C4 B13 137.3(3) . . . . ?
B19 B18 C4 C3 -5.5(5) . . . . ?
B22 B18 C4 C3 58.8(4) . . . . ?
B13 B18 C4 C3 -41.1(3) . . . . ?
B17 B18 C4 C3 96.1(3) . . . . ?
B19 B18 C4 B17 -101.7(4) . . . . ?
B22 B18 C4 B17 -37.4(3) . . . . ?
B13 B18 C4 B17 -137.3(3) . . . . ?
B19 B18 C4 B16 -64.8(4) . . . . ?
B22 B18 C4 B16 -0.5(4) . . . . ?
B13 B18 C4 B16 -100.4(3) . . . . ?
B17 B18 C4 B16 36.9(3) . . . . ?
B22 B17 C4 B13 -2.4(4) . . . . ?
B16 B17 C4 B13 99.4(3) . . . . ?
B18 B17 C4 B13 -38.9(3) . . . . ?
B21 B17 C4 B13 55.6(4) . . . . ?
B22 B17 C4 C3 -67.5(4) . . . . ?
B16 B17 C4 C3 34.3(3) . . . . ?
B18 B17 C4 C3 -104.0(3) . . . . ?
B21 B17 C4 C3 -9.5(4) . . . . ?
B22 B17 C4 B18 36.5(3) . . . . ?
B16 B17 C4 B18 138.3(3) . . . . ?
B21 B17 C4 B18 94.5(3) . . . . ?
B22 B17 C4 B16 -101.8(3) . . . . ?
B18 B17 C4 B16 -138.3(3) . . . . ?
B21 B17 C4 B16 -43.8(3) . . . . ?
C3 B16 C4 B13 36.5(3) . . . . ?
B15 B16 C4 B13 -0.1(4) . . . . ?
B17 B16 C4 B13 -102.2(3) . . . . ?
B21 B16 C4 B13 -59.1(4) . . . . ?
B15 B16 C4 C3 -36.6(3) . . . . ?
B17 B16 C4 C3 -138.7(3) . . . . ?
B21 B16 C4 C3 -95.6(3) . . . . ?
C3 B16 C4 B18 100.8(3) . . . . ?
B15 B16 C4 B18 64.2(4) . . . . ?
B17 B16 C4 B18 -37.9(3) . . . . ?
B21 B16 C4 B18 5.1(4) . . . . ?
C3 B16 C4 B17 138.7(3) . . . . ?
B15 B16 C4 B17 102.1(4) . . . . ?
B21 B16 C4 B17 43.1(3) . . . . ?
B31 B26 C5 C6 89.3(4) . . . . ?
B25 B26 C5 C6 138.4(3) . . . . ?
B27 B26 C5 C6 32.3(3) . . . . ?
B31 B26 C5 B24 -13.0(5) . . . . ?
B25 B26 C5 B24 36.2(3) . . . . ?
C6 B26 C5 B24 -102.2(3) . . . . ?
B27 B26 C5 B24 -70.0(4) . . . . ?
B31 B26 C5 B25 -49.1(4) . . . . ?
C6 B26 C5 B25 -138.4(3) . . . . ?
B27 B26 C5 B25 -106.1(3) . . . . ?
B31 B26 C5 B23 57.2(4) . . . . ?
B25 B26 C5 B23 106.3(3) . . . . ?
C6 B26 C5 B23 -32.1(3) . . . . ?
B27 B26 C5 B23 0.2(4) . . . . ?
B31 B26 C5 S4 -150.8(3) . . . . ?
B25 B26 C5 S4 -101.6(3) . . . . ?
C6 B26 C5 S4 120.0(3) . . . . ?
B27 B26 C5 S4 152.3(3) . . . . ?
B29 B24 C5 C6 4.5(4) . . . . ?
B25 B24 C5 C6 -102.9(3) . . . . ?
B30 B24 C5 C6 -61.9(4) . . . . ?
B23 B24 C5 C6 37.7(3) . . . . ?
B29 B24 C5 B26 72.1(4) . . . . ?
B25 B24 C5 B26 -35.3(3) . . . . ?
B30 B24 C5 B26 5.6(5) . . . . ?
B23 B24 C5 B26 105.3(3) . . . . ?
B29 B24 C5 B25 107.3(4) . . . . ?
B30 B24 C5 B25 40.9(3) . . . . ?
B23 B24 C5 B25 140.6(3) . . . . ?
B29 B24 C5 B23 -33.3(3) . . . . ?
B25 B24 C5 B23 -140.6(3) . . . . ?
B30 B24 C5 B23 -99.7(4) . . . . ?
B29 B24 C5 S4 -151.0(3) . . . . ?
B25 B24 C5 S4 101.7(3) . . . . ?
B30 B24 C5 S4 142.6(3) . . . . ?
B23 B24 C5 S4 -117.7(3) . . . . ?
B26 B25 C5 C6 -39.2(3) . . . . ?
B24 B25 C5 C6 101.3(3) . . . . ?
B30 B25 C5 C6 62.0(4) . . . . ?
B31 B25 C5 C6 -2.3(4) . . . . ?
B24 B25 C5 B26 140.5(3) . . . . ?
B30 B25 C5 B26 101.1(3) . . . . ?
B31 B25 C5 B26 36.8(3) . . . . ?
B26 B25 C5 B24 -140.5(3) . . . . ?
B30 B25 C5 B24 -39.3(3) . . . . ?
B31 B25 C5 B24 -103.6(3) . . . . ?
B26 B25 C5 B23 -101.2(4) . . . . ?
B24 B25 C5 B23 39.2(3) . . . . ?
B30 B25 C5 B23 -0.1(4) . . . . ?
B31 B25 C5 B23 -64.4(4) . . . . ?
B26 B25 C5 S4 108.5(3) . . . . ?
B24 B25 C5 S4 -111.1(3) . . . . ?
B30 B25 C5 S4 -150.4(3) . . . . ?
B31 B25 C5 S4 145.3(3) . . . . ?
B28 B23 C5 C6 -36.8(3) . . . . ?
B29 B23 C5 C6 -103.4(4) . . . . ?
B24 B23 C5 C6 -136.5(3) . . . . ?
C6 B23 C5 B26 34.4(3) . . . . ?
B28 B23 C5 B26 -2.4(4) . . . . ?
B29 B23 C5 B26 -69.0(4) . . . . ?
B24 B23 C5 B26 -102.0(3) . . . . ?
C6 B23 C5 B24 136.5(3) . . . . ?
B28 B23 C5 B24 99.7(4) . . . . ?
B29 B23 C5 B24 33.1(3) . . . . ?
C6 B23 C5 B25 98.9(3) . . . . ?
B28 B23 C5 B25 62.1(4) . . . . ?
B29 B23 C5 B25 -4.5(5) . . . . ?
B24 B23 C5 B25 -37.6(3) . . . . ?
C6 B23 C5 S4 -114.9(3) . . . . ?
B28 B23 C5 S4 -151.7(3) . . . . ?
B29 B23 C5 S4 141.7(3) . . . . ?
B24 B23 C5 S4 108.6(3) . . . . ?
B26 C5 C6 B23 -143.9(3) . . . . ?
B24 C5 C6 B23 -41.4(3) . . . . ?
B25 C5 C6 B23 -106.7(3) . . . . ?
S4 C5 C6 B23 111.4(3) . . . . ?
B26 C5 C6 B27 -39.0(3) . . . . ?
B24 C5 C6 B27 63.5(4) . . . . ?
B25 C5 C6 B27 -1.7(5) . . . . ?
B23 C5 C6 B27 105.0(4) . . . . ?
S4 C5 C6 B27 -143.6(3) . . . . ?
B26 C5 C6 B28 -106.7(3) . . . . ?
B24 C5 C6 B28 -4.2(4) . . . . ?
B25 C5 C6 B28 -69.5(4) . . . . ?
B23 C5 C6 B28 37.2(3) . . . . ?
S4 C5 C6 B28 148.6(3) . . . . ?
B24 C5 C6 B26 102.5(3) . . . . ?
B25 C5 C6 B26 37.2(3) . . . . ?
B23 C5 C6 B26 143.9(3) . . . . ?
S4 C5 C6 B26 -104.7(3) . . . . ?
B28 B23 C6 C5 140.0(3) . . . . ?
B29 B23 C6 C5 93.9(4) . . . . ?
B24 B23 C6 C5 35.3(3) . . . . ?
B28 B23 C6 B27 32.5(3) . . . . ?
B29 B23 C6 B27 -13.6(5) . . . . ?
C5 B23 C6 B27 -107.5(3) . . . . ?
B24 B23 C6 B27 -72.3(4) . . . . ?
B29 B23 C6 B28 -46.1(3) . . . . ?
C5 B23 C6 B28 -140.0(3) . . . . ?
B24 B23 C6 B28 -104.8(3) . . . . ?
B28 B23 C6 B26 105.1(4) . . . . ?
B29 B23 C6 B26 58.9(5) . . . . ?
C5 B23 C6 B26 -35.0(3) . . . . ?
B24 B23 C6 B26 0.3(4) . . . . ?
B31 B27 C6 C5 5.6(5) . . . . ?
B28 B27 C6 C5 -105.3(4) . . . . ?
B32 B27 C6 C5 -61.4(4) . . . . ?
B26 B27 C6 C5 37.0(3) . . . . ?
B31 B27 C6 B23 79.1(4) . . . . ?
B28 B27 C6 B23 -31.8(3) . . . . ?
B32 B27 C6 B23 12.1(4) . . . . ?
B26 B27 C6 B23 110.5(4) . . . . ?
B31 B27 C6 B28 111.0(4) . . . . ?
B32 B27 C6 B28 43.9(3) . . . . ?
B26 B27 C6 B28 142.3(3) . . . . ?
B31 B27 C6 B26 -31.3(3) . . . . ?
B28 B27 C6 B26 -142.3(3) . . . . ?
B32 B27 C6 B26 -98.4(3) . . . . ?
B23 B28 C6 C5 -40.3(3) . . . . ?
B27 B28 C6 C5 105.1(3) . . . . ?
B32 B28 C6 C5 62.8(4) . . . . ?
B29 B28 C6 C5 2.0(4) . . . . ?
B27 B28 C6 B23 145.4(4) . . . . ?
B32 B28 C6 B23 103.1(4) . . . . ?
B29 B28 C6 B23 42.3(3) . . . . ?
B23 B28 C6 B27 -145.4(4) . . . . ?
B32 B28 C6 B27 -42.3(3) . . . . ?
B29 B28 C6 B27 -103.1(3) . . . . ?
B23 B28 C6 B26 -107.4(4) . . . . ?
B27 B28 C6 B26 38.0(3) . . . . ?
B32 B28 C6 B26 -4.3(5) . . . . ?
B29 B28 C6 B26 -65.1(4) . . . . ?
B31 B26 C6 C5 -109.8(3) . . . . ?
B25 B26 C6 C5 -37.5(3) . . . . ?
B27 B26 C6 C5 -140.7(3) . . . . ?
B31 B26 C6 B23 -72.4(4) . . . . ?
B25 B26 C6 B23 -0.2(5) . . . . ?
C5 B26 C6 B23 37.4(3) . . . . ?
B27 B26 C6 B23 -103.4(4) . . . . ?
B31 B26 C6 B27 31.0(3) . . . . ?
B25 B26 C6 B27 103.2(4) . . . . ?
C5 B26 C6 B27 140.7(3) . . . . ?
B31 B26 C6 B28 -5.5(4) . . . . ?
B25 B26 C6 B28 66.8(4) . . . . ?
C5 B26 C6 B28 104.3(4) . . . . ?
B27 B26 C6 B28 -36.4(3) . . . . ?
C12 C7 C8 C9 6.7(6) . . . . ?
P1 C7 C8 C9 178.2(3) . . . . ?
C7 C8 C9 C10 -5.1(6) . . . . ?
C8 C9 C10 C11 -0.4(6) . . . . ?
C9 C10 C11 C12 4.0(6) . . . . ?
C8 C7 C12 C11 -3.2(6) . . . . ?
P1 C7 C12 C11 -175.0(3) . . . . ?
C10 C11 C12 C7 -2.2(7) . . . . ?
C18 C13 C14 C15 0.4(6) . . . . ?
P1 C13 C14 C15 177.4(3) . . . . ?
C13 C14 C15 C16 -2.3(6) . . . . ?
C14 C15 C16 C17 3.7(6) . . . . ?
C15 C16 C17 C18 -3.2(6) . . . . ?
C14 C13 C18 C17 0.1(6) . . . . ?
P1 C13 C18 C17 -176.8(3) . . . . ?
C16 C17 C18 C13 1.4(6) . . . . ?
C24 C19 C20 C21 -7.2(5) . . . . ?
P1 C19 C20 C21 177.9(3) . . . . ?
C19 C20 C21 C22 6.7(5) . . . . ?
C20 C21 C22 C23 -3.5(6) . . . . ?
C21 C22 C23 C24 1.0(5) . . . . ?
C20 C19 C24 C23 4.5(5) . . . . ?
P1 C19 C24 C23 179.4(2) . . . . ?
C22 C23 C24 C19 -1.5(5) . . . . ?
C12 C7 P1 C19 -173.9(3) . . . . ?
C8 C7 P1 C19 14.6(4) . . . . ?
C12 C7 P1 C13 -63.7(4) . . . . ?
C8 C7 P1 C13 124.8(3) . . . . ?
C12 C7 P1 Ru1 62.7(3) . . . . ?
C8 C7 P1 Ru1 -108.8(3) . . . . ?
C20 C19 P1 C7 -78.0(3) . . . . ?
C24 C19 P1 C7 107.2(3) . . . . ?
C20 C19 P1 C13 172.6(3) . . . . ?
C24 C19 P1 C13 -2.2(3) . . . . ?
C20 C19 P1 Ru1 46.7(3) . . . . ?
C24 C19 P1 Ru1 -128.1(3) . . . . ?
C18 C13 P1 C7 -18.8(4) . . . . ?
C14 C13 P1 C7 164.2(3) . . . . ?
C18 C13 P1 C19 92.8(3) . . . . ?
C14 C13 P1 C19 -84.1(3) . . . . ?
C18 C13 P1 Ru1 -143.9(3) . . . . ?
C14 C13 P1 Ru1 39.1(3) . . . . ?
C7 P1 Ru1 S4 -81.91(14) . . . . ?
C19 P1 Ru1 S4 157.38(14) . . . . ?
C13 P1 Ru1 S4 37.80(13) . . . . ?
C7 P1 Ru1 S3 35.53(13) . . . . ?
C19 P1 Ru1 S3 -85.18(15) . . . . ?
C13 P1 Ru1 S3 155.24(13) . . . . ?
C7 P1 Ru1 S2 158.61(13) . . . . ?
C19 P1 Ru1 S2 37.90(14) . . . . ?
C13 P1 Ru1 S2 -81.68(14) . . . . ?
C7 P1 Ru1 S1 139.9(3) . . . . ?
C19 P1 Ru1 S1 19.2(4) . . . . ?
C13 P1 Ru1 S1 -100.4(3) . . . . ?
C2 C1 S1 Ru1 -4.7(3) . . . . ?
B5 C1 S1 Ru1 -144.4(3) . . . . ?
B4 C1 S1 Ru1 134.6(3) . . . . ?
B6 C1 S1 Ru1 -73.7(3) . . . . ?
B3 C1 S1 Ru1 62.0(3) . . . . ?
S4 Ru1 S1 C1 -111.21(15) . . . . ?
S3 Ru1 S1 C1 129.85(15) . . . . ?
S2 Ru1 S1 C1 7.61(15) . . . . ?
P1 Ru1 S1 C1 26.3(4) . . . . ?
C1 C2 S2 Ru1 8.2(3) . . . . ?
B3 C2 S2 Ru1 -67.7(3) . . . . ?
B6 C2 S2 Ru1 82.6(3) . . . . ?
B7 C2 S2 Ru1 151.6(3) . . . . ?
B8 C2 S2 Ru1 -135.0(2) . . . . ?
S4 Ru1 S2 C2 93.08(14) . . . . ?
S3 Ru1 S2 C2 -105.80(14) . . . . ?
S1 Ru1 S2 C2 -8.19(14) . . . . ?
P1 Ru1 S2 C2 174.01(14) . . . . ?
B16 C3 S3 Ru1 -122.3(3) . . . . ?
B15 C3 S3 Ru1 169.0(2) . . . . ?
C4 C3 S3 Ru1 -43.2(4) . . . . ?
B13 C3 S3 Ru1 28.7(4) . . . . ?
B14 C3 S3 Ru1 99.9(3) . . . . ?
S4 Ru1 S3 C3 -106.26(15) . . . . ?
S2 Ru1 S3 C3 92.20(15) . . . . ?
S1 Ru1 S3 C3 0.20(15) . . . . ?
P1 Ru1 S3 C3 173.50(15) . . . . ?
C6 C5 S4 Ru1 -4.1(4) . . . . ?
B26 C5 S4 Ru1 -79.7(3) . . . . ?
B24 C5 S4 Ru1 146.5(3) . . . . ?
B25 C5 S4 Ru1 -145.2(2) . . . . ?
B23 C5 S4 Ru1 68.2(3) . . . . ?
S3 Ru1 S4 C5 82.63(15) . . . . ?
S2 Ru1 S4 C5 -115.16(14) . . . . ?
S1 Ru1 S4 C5 -21.85(15) . . . . ?
P1 Ru1 S4 C5 162.80(15) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.056

data_global

# Attachment 'jqb3.cif'


data_2100107a_0m
#TrackingRef 'jqb3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C160 H206 B80 O5 P8 Ru4 S8'
_chemical_formula_weight         3982.57

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.1116(11)
_cell_length_b                   21.748(2)
_cell_length_c                   20.813(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.837(2)
_cell_angle_gamma                90.00
_cell_volume                     5018.2(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    6781
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      25.09

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2030
_exptl_absorpt_coefficient_mu    0.493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8742
_exptl_absorpt_correction_T_max  0.8992
_exptl_absorpt_process_details   sadabs;bruker,2000

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27054
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0914
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9844
_reflns_number_gt                5046
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0700P)²+1.9900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9844
_refine_ls_number_parameters     601
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.1629
_refine_ls_wR_factor_gt          0.1271
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.5438(7) 0.3881(3) 0.8817(3) 0.0634(18) Uani 1 1 d . . .
H03A H 0.4817 0.4151 0.8642 0.076 Uiso 1 1 d R . .
B4 B 0.5887(7) 0.3916(3) 0.9633(3) 0.0660(18) Uani 1 1 d . . .
H04A H 0.5529 0.4204 0.9913 0.079 Uiso 1 1 d R . .
B5 B 0.7480(7) 0.3733(3) 0.9716(4) 0.069(2) Uani 1 1 d . . .
H05A H 0.7996 0.3928 1.0044 0.083 Uiso 1 1 d R . .
B6 B 0.7993(6) 0.3606(3) 0.8960(3) 0.0607(17) Uani 1 1 d . . .
H06A H 0.8781 0.3725 0.8842 0.073 Uiso 1 1 d R . .
B7 B 0.7678(7) 0.2988(3) 0.9460(4) 0.071(2) Uani 1 1 d . . .
H07A H 0.8313 0.2730 0.9641 0.085 Uiso 1 1 d R . .
B8 B 0.7210(7) 0.2951(3) 0.8632(3) 0.0655(18) Uani 1 1 d . . .
H08A H 0.7542 0.2682 0.8324 0.079 Uiso 1 1 d R . .
B9 B 0.5657(7) 0.3128(3) 0.8533(4) 0.0675(19) Uani 1 1 d . . .
H09A H 0.5170 0.2951 0.8182 0.081 Uiso 1 1 d R . .
B10 B 0.5148(8) 0.3249(4) 0.9327(4) 0.076(2) Uani 1 1 d . . .
H01A H 0.4344 0.3143 0.9429 0.091 Uiso 1 1 d R . .
B11 B 0.6400(9) 0.3186(4) 0.9877(4) 0.084(2) Uani 1 1 d . . .
H01B H 0.6323 0.3040 1.0307 0.101 Uiso 1 1 d R . .
B12 B 0.6201(7) 0.2689(3) 0.9195(4) 0.071(2) Uani 1 1 d . . .
H01C H 0.6020 0.2260 0.9239 0.085 Uiso 1 1 d R . .
B13 B 0.3728(8) 0.4478(4) 0.6674(4) 0.081(2) Uani 1 1 d . . .
H01D H 0.3467 0.4737 0.7011 0.097 Uiso 1 1 d R . .
B14 B 0.4057(8) 0.4731(3) 0.5925(4) 0.078(2) Uani 1 1 d . . .
H01E H 0.3976 0.5163 0.5841 0.093 Uiso 1 1 d R . .
B15 B 0.5168(8) 0.4328(4) 0.5666(3) 0.081(2) Uani 1 1 d . . .
H01F H 0.5742 0.4520 0.5405 0.097 Uiso 1 1 d R . .
B16 B 0.5578(7) 0.3779(4) 0.6218(4) 0.082(2) Uani 1 1 d . . .
H01G H 0.6384 0.3627 0.6304 0.098 Uiso 1 1 d R . .
B17 B 0.4385(8) 0.3296(3) 0.6261(4) 0.079(2) Uani 1 1 d . . .
H01H H 0.4480 0.2871 0.6379 0.094 Uiso 1 1 d R . .
B18 B 0.3171(8) 0.3704(4) 0.6549(4) 0.082(2) Uani 1 1 d . . .
H01I H 0.2612 0.3518 0.6823 0.099 Uiso 1 1 d R . .
B19 B 0.2791(8) 0.4274(4) 0.6000(5) 0.090(3) Uani 1 1 d . . .
H01J H 0.1977 0.4424 0.5944 0.109 Uiso 1 1 d R . .
B20 B 0.3691(9) 0.4194(4) 0.5395(4) 0.090(3) Uani 1 1 d . . .
H02A H 0.3387 0.4302 0.4967 0.108 Uiso 1 1 d R . .
B21 B 0.4686(8) 0.3578(4) 0.5539(4) 0.084(2) Uani 1 1 d . . .
H02B H 0.4983 0.3321 0.5210 0.101 Uiso 1 1 d R . .
B22 B 0.3180(7) 0.3541(3) 0.5755(4) 0.072(2) Uani 1 1 d . . .
H02C H 0.2596 0.3268 0.5548 0.086 Uiso 1 1 d R . .
C1 C 0.6826(5) 0.4134(2) 0.9073(2) 0.0480(12) Uani 1 1 d . . .
C2 C 0.6672(4) 0.3672(2) 0.8423(2) 0.0486(12) Uani 1 1 d . . .
C3 C 0.5148(6) 0.4459(3) 0.6449(3) 0.0687(16) Uani 1 1 d . . .
C4 C 0.4616(6) 0.3868(3) 0.6791(3) 0.079(2) Uani 1 1 d . . .
H4A H 0.4884 0.3779 0.7229 0.095 Uiso 1 1 d R . .
C5 C 0.4613(5) 0.5745(2) 0.8224(3) 0.0601(15) Uani 1 1 d . . .
H8A H 0.4912 0.5353 0.8318 0.072 Uiso 1 1 calc R . .
C6 C 0.5338(5) 0.6166(2) 0.7955(3) 0.0472(11) Uani 1 1 d . . .
C7 C 0.4890(6) 0.6746(2) 0.7829(3) 0.0647(16) Uani 1 1 d . . .
H16A H 0.5381 0.7042 0.7657 0.078 Uiso 1 1 calc R . .
C8 C 0.3742(5) 0.6893(3) 0.7952(3) 0.0662(16) Uani 1 1 d . . .
H19A H 0.3450 0.7284 0.7852 0.079 Uiso 1 1 calc R . .
C9 C 0.3017(5) 0.6480(3) 0.8217(3) 0.0659(16) Uani 1 1 d . . .
H21A H 0.2236 0.6592 0.8304 0.079 Uiso 1 1 calc R . .
C10 C 0.3429(5) 0.5889(3) 0.8363(3) 0.0625(15) Uani 1 1 d . . .
H23A H 0.2936 0.5600 0.8545 0.075 Uiso 1 1 calc R . .
C11 C 0.6671(6) 0.6556(2) 0.6657(3) 0.0604(15) Uani 1 1 d . . .
H6A H 0.6038 0.6282 0.6574 0.072 Uiso 1 1 calc R . .
C12 C 0.6942(6) 0.6973(3) 0.6193(3) 0.0659(16) Uani 1 1 d . . .
H22A H 0.6516 0.6966 0.5793 0.079 Uiso 1 1 calc R . .
C13 C 0.7828(6) 0.7398(3) 0.6313(3) 0.0774(19) Uani 1 1 d . . .
H32A H 0.7992 0.7688 0.6002 0.093 Uiso 1 1 calc R . .
C14 C 0.8478(7) 0.7395(3) 0.6897(3) 0.084(2) Uani 1 1 d . . .
H33A H 0.9098 0.7677 0.6980 0.101 Uiso 1 1 calc R . .
C15 C 0.8214(6) 0.6973(3) 0.7364(3) 0.0667(16) Uani 1 1 d . . .
H20A H 0.8641 0.6983 0.7764 0.080 Uiso 1 1 calc R . .
C16 C 0.7322(5) 0.6537(2) 0.7243(2) 0.0541(13) Uani 1 1 d . . .
C17 C 0.7737(4) 0.6291(2) 0.8579(2) 0.0449(11) Uani 1 1 d . . .
C18 C 0.8999(5) 0.6237(2) 0.8656(3) 0.0539(13) Uani 1 1 d . . .
H3A H 0.9413 0.6047 0.8337 0.065 Uiso 1 1 calc R . .
C19 C 0.9635(6) 0.6461(3) 0.9197(3) 0.0672(16) Uani 1 1 d . . .
H15A H 1.0471 0.6429 0.9240 0.081 Uiso 1 1 calc R . .
C20 C 0.9034(6) 0.6726(3) 0.9662(3) 0.0706(17) Uani 1 1 d . . .
H28A H 0.9466 0.6871 1.0030 0.085 Uiso 1 1 calc R . .
C21 C 0.7798(6) 0.6791(3) 0.9612(3) 0.0691(16) Uani 1 1 d . . .
H27A H 0.7402 0.6987 0.9935 0.083 Uiso 1 1 calc R . .
C22 C 0.7150(5) 0.6556(3) 0.9065(2) 0.0565(14) Uani 1 1 d . . .
H11A H 0.6312 0.6580 0.9033 0.068 Uiso 1 1 calc R . .
C23 C 0.9013(6) 0.5637(3) 0.6406(3) 0.0649(16) Uani 1 1 d . . .
H14A H 0.8240 0.5497 0.6286 0.078 Uiso 1 1 calc R . .
C24 C 0.9547(6) 0.6076(3) 0.6034(3) 0.0686(16) Uani 1 1 d . . .
H30A H 0.9131 0.6219 0.5661 0.082 Uiso 1 1 calc R . .
C25 C 1.0658(6) 0.6300(3) 0.6202(3) 0.0731(17) Uani 1 1 d . . .
H37A H 1.1001 0.6597 0.5951 0.088 Uiso 1 1 calc R . .
C26 C 1.1274(6) 0.6080(3) 0.6751(3) 0.0770(18) Uani 1 1 d . . .
H24A H 1.2041 0.6232 0.6867 0.092 Uiso 1 1 calc R . .
C27 C 1.0784(6) 0.5643(3) 0.7132(3) 0.0661(16) Uani 1 1 d . . .
H34A H 1.1212 0.5504 0.7503 0.079 Uiso 1 1 calc R . .
C28 C 0.9626(5) 0.5408(3) 0.6955(3) 0.0598(14) Uani 1 1 d . . .
C29 C 0.9024(5) 0.4112(3) 0.6890(3) 0.0567(14) Uani 1 1 d . . .
C30 C 0.9143(6) 0.4178(3) 0.6227(3) 0.0711(17) Uani 1 1 d . . .
H45A H 0.9216 0.4567 0.6047 0.085 Uiso 1 1 calc R . .
C31 C 0.9150(6) 0.3660(3) 0.5847(3) 0.0763(18) Uani 1 1 d . . .
H49A H 0.9161 0.3700 0.5402 0.092 Uiso 1 1 calc R . .
C32 C 0.9141(6) 0.3091(3) 0.6117(4) 0.080(2) Uani 1 1 d . . .
H46A H 0.9206 0.2745 0.5858 0.096 Uiso 1 1 calc R . .
C33 C 0.9037(6) 0.3017(3) 0.6770(3) 0.0754(18) Uani 1 1 d . . .
H41A H 0.9006 0.2626 0.6950 0.090 Uiso 1 1 calc R . .
C34 C 0.8979(6) 0.3541(3) 0.7152(3) 0.0711(17) Uani 1 1 d . . .
H26A H 0.8908 0.3499 0.7593 0.085 Uiso 1 1 calc R . .
C35 C 1.0178(5) 0.4623(2) 0.8047(3) 0.0541(13) Uani 1 1 d . . .
C36 C 1.1164(5) 0.4260(3) 0.7891(3) 0.0670(16) Uani 1 1 d . . .
H17A H 1.1205 0.4114 0.7473 0.080 Uiso 1 1 calc R . .
C37 C 1.2079(6) 0.4118(3) 0.8354(3) 0.0707(16) Uani 1 1 d . . .
H29A H 1.2717 0.3872 0.8241 0.085 Uiso 1 1 calc R . .
C38 C 1.2068(6) 0.4325(3) 0.8960(3) 0.0662(16) Uani 1 1 d . . .
H18A H 1.2692 0.4230 0.9264 0.079 Uiso 1 1 calc R . .
C39 C 1.1107(5) 0.4684(3) 0.9123(3) 0.0651(15) Uani 1 1 d . . .
H13A H 1.1085 0.4827 0.9543 0.078 Uiso 1 1 calc R . .
C40 C 1.0180(5) 0.4836(2) 0.8677(3) 0.0589(14) Uani 1 1 d . . .
H2A H 0.9550 0.5083 0.8799 0.071 Uiso 1 1 calc R . .
O1 O 0.6851(3) 0.39108(16) 0.78308(15) 0.0517(9) Uani 1 1 d . . .
P1 P 0.69492(13) 0.59750(6) 0.78561(6) 0.0469(3) Uani 1 1 d . . .
P2 P 0.89992(12) 0.47950(6) 0.74196(7) 0.0495(3) Uani 1 1 d . . .
Ru1 Ru 0.70949(4) 0.490144(18) 0.777925(19) 0.04462(13) Uani 1 1 d . . .
S2 S 0.71706(12) 0.49117(6) 0.88819(6) 0.0486(3) Uani 1 1 d . . .
S3 S 0.61718(14) 0.50332(7) 0.67903(7) 0.0627(4) Uani 1 1 d . . .
O1W O 1.0000 1.0000 1.0000 0.082(4) Uani 0.50 2 d SP . .
H1WA H 0.9827 0.9625 1.0062 0.098 Uiso 0.25 1 d PR . .
H1WB H 0.9371 1.0191 0.9857 0.098 Uiso 0.25 1 d PR . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.689(8) . ?
B3 C2 1.705(8) . ?
B3 B4 1.739(10) . ?
B3 B9 1.763(10) . ?
B3 B10 1.779(11) . ?
B3 H03A 0.9600 . ?
B4 C1 1.683(8) . ?
B4 B11 1.751(11) . ?
B4 B10 1.765(10) . ?
B4 B5 1.812(11) . ?
B4 H04A 0.9600 . ?
B5 C1 1.718(8) . ?
B5 B7 1.723(10) . ?
B5 B6 1.730(11) . ?
B5 B11 1.738(11) . ?
B5 H05A 0.9601 . ?
B6 B7 1.749(9) . ?
B6 C1 1.760(8) . ?
B6 B8 1.781(10) . ?
B6 C2 1.791(8) . ?
B6 H06A 0.9601 . ?
B7 B11 1.766(12) . ?
B7 B8 1.767(10) . ?
B7 B12 1.816(10) . ?
B7 H07A 0.9601 . ?
B8 C2 1.722(8) . ?
B8 B9 1.765(11) . ?
B8 B12 1.769(10) . ?
B8 H08A 0.9598 . ?
B9 C2 1.660(8) . ?
B9 B12 1.749(10) . ?
B9 B10 1.801(10) . ?
B9 H09A 0.9600 . ?
B10 B12 1.723(11) . ?
B10 B11 1.747(12) . ?
B10 H01A 0.9601 . ?
B11 B12 1.785(11) . ?
B11 H01B 0.9600 . ?
B12 H01C 0.9601 . ?
B13 C4 1.662(11) . ?
B13 C3 1.676(11) . ?
B13 B14 1.715(12) . ?
B13 B19 1.748(12) . ?
B13 B18 1.808(11) . ?
B13 H01D 0.9600 . ?
B14 B15 1.635(12) . ?
B14 B20 1.640(11) . ?
B14 C3 1.682(10) . ?
B14 B19 1.738(12) . ?
B14 H01E 0.9600 . ?
B15 C3 1.656(9) . ?
B15 B16 1.697(13) . ?
B15 B20 1.725(12) . ?
B15 B21 1.731(11) . ?
B15 H01F 0.9602 . ?
B16 C3 1.636(9) . ?
B16 C4 1.665(11) . ?
B16 B17 1.699(12) . ?
B16 B21 1.727(11) . ?
B16 H01G 0.9599 . ?
B17 C4 1.672(10) . ?
B17 B21 1.676(12) . ?
B17 B22 1.731(11) . ?
B17 B18 1.753(12) . ?
B17 H01H 0.9600 . ?
B18 C4 1.689(10) . ?
B18 B22 1.691(11) . ?
B18 B19 1.721(13) . ?
B18 H01I 0.9598 . ?
B19 B20 1.669(13) . ?
B19 B22 1.737(11) . ?
B19 H01J 0.9602 . ?
B20 B22 1.719(12) . ?
B20 B21 1.749(13) . ?
B20 H02A 0.9600 . ?
B21 B22 1.763(12) . ?
B21 H02B 0.9600 . ?
B22 H02C 0.9600 . ?
C1 C2 1.685(7) . ?
C1 S2 1.785(5) . ?
C2 O1 1.365(6) . ?
C3 C4 1.601(9) . ?
C3 S3 1.803(6) . ?
C4 H4A 0.9602 . ?
C5 C6 1.365(7) . ?
C5 C10 1.402(8) . ?
C5 H8A 0.9300 . ?
C6 C7 1.374(7) . ?
C6 P1 1.863(5) . ?
C7 C8 1.357(8) . ?
C7 H16A 0.9300 . ?
C8 C9 1.347(8) . ?
C8 H19A 0.9300 . ?
C9 C10 1.393(8) . ?
C9 H21A 0.9300 . ?
C10 H23A 0.9300 . ?
C11 C12 1.374(8) . ?
C11 C16 1.376(7) . ?
C11 H6A 0.9300 . ?
C12 C13 1.360(9) . ?
C12 H22A 0.9300 . ?
C13 C14 1.373(8) . ?
C13 H32A 0.9300 . ?
C14 C15 1.380(8) . ?
C14 H33A 0.9300 . ?
C15 C16 1.383(8) . ?
C15 H20A 0.9300 . ?
C16 P1 1.835(5) . ?
C17 C22 1.368(7) . ?
C17 C18 1.406(7) . ?
C17 P1 1.823(5) . ?
C18 C19 1.377(8) . ?
C18 H3A 0.9300 . ?
C19 C20 1.343(8) . ?
C19 H15A 0.9300 . ?
C20 C21 1.377(9) . ?
C20 H28A 0.9300 . ?
C21 C22 1.403(8) . ?
C21 H27A 0.9300 . ?
C22 H11A 0.9300 . ?
C23 C28 1.383(8) . ?
C23 C24 1.386(8) . ?
C23 H14A 0.9300 . ?
C24 C25 1.351(9) . ?
C24 H30A 0.9300 . ?
C25 C26 1.378(9) . ?
C25 H37A 0.9300 . ?
C26 C27 1.373(8) . ?
C26 H24A 0.9300 . ?
C27 C28 1.411(8) . ?
C27 H34A 0.9300 . ?
C28 P2 1.813(6) . ?
C29 C34 1.359(8) . ?
C29 C30 1.402(8) . ?
C29 P2 1.851(6) . ?
C30 C31 1.378(8) . ?
C30 H45A 0.9300 . ?
C31 C32 1.360(9) . ?
C31 H49A 0.9300 . ?
C32 C33 1.381(9) . ?
C32 H46A 0.9300 . ?
C33 C34 1.394(8) . ?
C33 H41A 0.9300 . ?
C34 H26A 0.9300 . ?
C35 C40 1.391(8) . ?
C35 C36 1.406(7) . ?
C35 P2 1.825(6) . ?
C36 C37 1.389(8) . ?
C36 H17A 0.9300 . ?
C37 C38 1.340(8) . ?
C37 H29A 0.9300 . ?
C38 C39 1.383(8) . ?
C38 H18A 0.9300 . ?
C39 C40 1.379(8) . ?
C39 H13A 0.9300 . ?
C40 H2A 0.9300 . ?
O1 Ru1 2.175(3) . ?
P1 Ru1 2.3466(14) . ?
P2 Ru1 2.3028(14) . ?
Ru1 S3 2.2557(15) . ?
Ru1 S2 2.2909(13) . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8501 . ?

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 C2 59.5(3) . . ?
C1 B3 B4 58.8(4) . . ?
C2 B3 B4 107.1(5) . . ?
C1 B3 B9 105.4(5) . . ?
C2 B3 B9 57.2(3) . . ?
B4 B3 B9 109.4(6) . . ?
C1 B3 B10 105.2(5) . . ?
C2 B3 B10 105.4(5) . . ?
B4 B3 B10 60.2(4) . . ?
B9 B3 B10 61.1(4) . . ?
C1 B3 H03A 122.5 . . ?
C2 B3 H03A 124.2 . . ?
B4 B3 H03A 119.6 . . ?
B9 B3 H03A 123.7 . . ?
B10 B3 H03A 123.0 . . ?
C1 B4 B3 59.1(3) . . ?
C1 B4 B11 104.5(6) . . ?
B3 B4 B11 108.0(5) . . ?
C1 B4 B10 106.0(5) . . ?
B3 B4 B10 61.0(4) . . ?
B11 B4 B10 59.6(5) . . ?
C1 B4 B5 58.7(4) . . ?
B3 B4 B5 107.3(5) . . ?
B11 B4 B5 58.3(4) . . ?
B10 B4 B5 106.3(5) . . ?
C1 B4 H04A 122.6 . . ?
B3 B4 H04A 121.3 . . ?
B11 B4 H04A 123.7 . . ?
B10 B4 H04A 123.7 . . ?
B5 B4 H04A 121.8 . . ?
C1 B5 B7 107.0(5) . . ?
C1 B5 B6 61.4(4) . . ?
B7 B5 B6 60.8(4) . . ?
C1 B5 B11 103.6(5) . . ?
B7 B5 B11 61.4(5) . . ?
B6 B5 B11 109.9(6) . . ?
C1 B5 B4 56.9(3) . . ?
B7 B5 B4 108.7(5) . . ?
B6 B5 B4 109.1(5) . . ?
B11 B5 B4 59.1(4) . . ?
C1 B5 H05A 122.1 . . ?
B7 B5 H05A 123.5 . . ?
B6 B5 H05A 119.9 . . ?
B11 B5 H05A 123.6 . . ?
B4 B5 H05A 120.3 . . ?
B5 B6 B7 59.4(4) . . ?
B5 B6 C1 59.0(4) . . ?
B7 B6 C1 104.1(5) . . ?
B5 B6 B8 107.1(5) . . ?
B7 B6 B8 60.1(4) . . ?
C1 B6 B8 103.1(4) . . ?
B5 B6 C2 104.4(5) . . ?
B7 B6 C2 104.1(5) . . ?
C1 B6 C2 56.7(3) . . ?
B8 B6 C2 57.6(3) . . ?
B5 B6 H06A 123.5 . . ?
B7 B6 H06A 125.6 . . ?
C1 B6 H06A 123.4 . . ?
B8 B6 H06A 123.2 . . ?
C2 B6 H06A 122.8 . . ?
B5 B7 B6 59.8(4) . . ?
B5 B7 B11 59.7(5) . . ?
B6 B7 B11 107.7(5) . . ?
B5 B7 B8 108.0(5) . . ?
B6 B7 B8 60.9(4) . . ?
B11 B7 B8 107.2(5) . . ?
B5 B7 B12 107.4(6) . . ?
B6 B7 B12 107.9(5) . . ?
B11 B7 B12 59.8(5) . . ?
B8 B7 B12 59.2(4) . . ?
B5 B7 H07A 122.3 . . ?
B6 B7 H07A 120.8 . . ?
B11 B7 H07A 122.9 . . ?
B8 B7 H07A 121.2 . . ?
B12 B7 H07A 122.3 . . ?
C2 B8 B9 56.8(3) . . ?
C2 B8 B7 106.2(5) . . ?
B9 B8 B7 109.0(5) . . ?
C2 B8 B12 103.7(5) . . ?
B9 B8 B12 59.3(4) . . ?
B7 B8 B12 61.8(4) . . ?
C2 B8 B6 61.5(3) . . ?
B9 B8 B6 108.7(5) . . ?
B7 B8 B6 59.1(4) . . ?
B12 B8 B6 108.6(5) . . ?
C2 B8 H08A 121.9 . . ?
B9 B8 H08A 118.1 . . ?
B7 B8 H08A 125.2 . . ?
B12 B8 H08A 122.3 . . ?
B6 B8 H08A 122.9 . . ?
C2 B9 B12 107.2(5) . . ?
C2 B9 B3 59.7(4) . . ?
B12 B9 B3 106.9(5) . . ?
C2 B9 B8 60.2(4) . . ?
B12 B9 B8 60.4(4) . . ?
B3 B9 B8 108.6(5) . . ?
C2 B9 B10 106.3(5) . . ?
B12 B9 B10 58.1(4) . . ?
B3 B9 B10 59.9(4) . . ?
B8 B9 B10 106.8(6) . . ?
C2 B9 H09A 122.2 . . ?
B12 B9 H09A 121.9 . . ?
B3 B9 H09A 122.9 . . ?
B8 B9 H09A 119.9 . . ?
B10 B9 H09A 124.1 . . ?
B12 B10 B11 61.9(5) . . ?
B12 B10 B4 109.5(6) . . ?
B11 B10 B4 59.8(4) . . ?
B12 B10 B3 107.4(5) . . ?
B11 B10 B3 106.4(5) . . ?
B4 B10 B3 58.8(4) . . ?
B12 B10 B9 59.5(4) . . ?
B11 B10 B9 107.7(6) . . ?
B4 B10 B9 106.5(5) . . ?
B3 B10 B9 59.0(4) . . ?
B12 B10 H01A 121.2 . . ?
B11 B10 H01A 123.3 . . ?
B4 B10 H01A 122.3 . . ?
B3 B10 H01A 121.7 . . ?
B9 B10 H01A 121.5 . . ?
B5 B11 B10 110.5(5) . . ?
B5 B11 B4 62.6(4) . . ?
B10 B11 B4 60.6(5) . . ?
B5 B11 B7 58.9(4) . . ?
B10 B11 B7 109.2(6) . . ?
B4 B11 B7 109.6(5) . . ?
B5 B11 B12 108.2(6) . . ?
B10 B11 B12 58.4(4) . . ?
B4 B11 B12 107.3(6) . . ?
B7 B11 B12 61.5(5) . . ?
B5 B11 H01B 120.8 . . ?
B10 B11 H01B 121.4 . . ?
B4 B11 H01B 121.6 . . ?
B7 B11 H01B 120.2 . . ?
B12 B11 H01B 121.8 . . ?
B10 B12 B9 62.5(4) . . ?
B10 B12 B8 110.2(5) . . ?
B9 B12 B8 60.2(4) . . ?
B10 B12 B11 59.7(5) . . ?
B9 B12 B11 108.3(6) . . ?
B8 B12 B11 106.3(5) . . ?
B10 B12 B7 107.9(5) . . ?
B9 B12 B7 107.5(5) . . ?
B8 B12 B7 59.1(4) . . ?
B11 B12 B7 58.7(5) . . ?
B10 B12 H01C 121.5 . . ?
B9 B12 H01C 122.8 . . ?
B8 B12 H01C 121.5 . . ?
B11 B12 H01C 121.9 . . ?
B7 B12 H01C 120.7 . . ?
C4 B13 C3 57.3(4) . . ?
C4 B13 B14 103.2(6) . . ?
C3 B13 B14 59.5(4) . . ?
C4 B13 B19 103.4(5) . . ?
C3 B13 B19 106.9(6) . . ?
B14 B13 B19 60.3(5) . . ?
C4 B13 B18 58.1(4) . . ?
C3 B13 B18 104.8(6) . . ?
B14 B13 B18 105.1(6) . . ?
B19 B13 B18 57.9(5) . . ?
C4 B13 H01D 124.4 . . ?
C3 B13 H01D 123.7 . . ?
B14 B13 H01D 124.9 . . ?
B19 B13 H01D 122.9 . . ?
B18 B13 H01D 122.2 . . ?
B15 B14 B20 63.6(5) . . ?
B15 B14 C3 59.9(4) . . ?
B20 B14 C3 108.7(6) . . ?
B15 B14 B13 109.9(6) . . ?
B20 B14 B13 109.0(6) . . ?
C3 B14 B13 59.1(4) . . ?
B15 B14 B19 110.9(6) . . ?
B20 B14 B19 59.1(5) . . ?
C3 B14 B19 107.1(6) . . ?
B13 B14 B19 60.8(5) . . ?
B15 B14 H01E 122.0 . . ?
B20 B14 H01E 124.0 . . ?
C3 B14 H01E 121.2 . . ?
B13 B14 H01E 117.2 . . ?
B19 B14 H01E 120.6 . . ?
B14 B15 C3 61.5(4) . . ?
B14 B15 B16 109.2(6) . . ?
C3 B15 B16 58.4(4) . . ?
B14 B15 B20 58.4(5) . . ?
C3 B15 B20 106.0(6) . . ?
B16 B15 B20 108.0(6) . . ?
B14 B15 B21 108.8(6) . . ?
C3 B15 B21 106.7(6) . . ?
B16 B15 B21 60.5(5) . . ?
B20 B15 B21 60.8(5) . . ?
B14 B15 H01F 119.9 . . ?
C3 B15 H01F 122.4 . . ?
B16 B15 H01F 122.1 . . ?
B20 B15 H01F 122.8 . . ?
B21 B15 H01F 122.2 . . ?
C3 B16 C4 58.0(4) . . ?
C3 B16 B15 59.5(4) . . ?
C4 B16 B15 104.3(6) . . ?
C3 B16 B17 107.4(6) . . ?
C4 B16 B17 59.6(5) . . ?
B15 B16 B17 107.2(6) . . ?
C3 B16 B21 107.8(6) . . ?
C4 B16 B21 104.8(6) . . ?
B15 B16 B21 60.7(5) . . ?
B17 B16 B21 58.6(5) . . ?
C3 B16 H01G 123.0 . . ?
C4 B16 H01G 122.8 . . ?
B15 B16 H01G 125.0 . . ?
B17 B16 H01G 119.8 . . ?
B21 B16 H01G 122.8 . . ?
C4 B17 B21 106.7(6) . . ?
C4 B17 B16 59.2(4) . . ?
B21 B17 B16 61.6(5) . . ?
C4 B17 B22 104.5(6) . . ?
B21 B17 B22 62.3(5) . . ?
B16 B17 B22 110.6(6) . . ?
C4 B17 B18 59.0(4) . . ?
B21 B17 B18 109.1(6) . . ?
B16 B17 B18 109.0(6) . . ?
B22 B17 B18 58.1(5) . . ?
C4 B17 H01H 122.5 . . ?
B21 B17 H01H 123.8 . . ?
B16 B17 H01H 122.4 . . ?
B22 B17 H01H 121.3 . . ?
B18 B17 H01H 118.2 . . ?
C4 B18 B22 105.6(6) . . ?
C4 B18 B19 103.4(6) . . ?
B22 B18 B19 61.2(5) . . ?
C4 B18 B17 58.1(5) . . ?
B22 B18 B17 60.3(5) . . ?
B19 B18 B17 107.3(6) . . ?
C4 B18 B13 56.6(4) . . ?
B22 B18 B13 108.1(6) . . ?
B19 B18 B13 59.3(5) . . ?
B17 B18 B13 104.9(6) . . ?
C4 B18 H01I 123.5 . . ?
B22 B18 H01I 122.6 . . ?
B19 B18 H01I 123.9 . . ?
B17 B18 H01I 122.3 . . ?
B13 B18 H01I 122.4 . . ?
B20 B19 B18 107.0(7) . . ?
B20 B19 B22 60.6(5) . . ?
B18 B19 B22 58.6(5) . . ?
B20 B19 B14 57.5(5) . . ?
B18 B19 B14 107.9(6) . . ?
B22 B19 B14 106.2(6) . . ?
B20 B19 B13 106.1(6) . . ?
B18 B19 B13 62.8(5) . . ?
B22 B19 B13 108.8(6) . . ?
B14 B19 B13 58.9(5) . . ?
B20 B19 H01J 123.5 . . ?
B18 B19 H01J 120.8 . . ?
B22 B19 H01J 121.8 . . ?
B14 B19 H01J 123.9 . . ?
B13 B19 H01J 121.1 . . ?
B14 B20 B19 63.4(5) . . ?
B14 B20 B22 111.7(7) . . ?
B19 B20 B22 61.7(5) . . ?
B14 B20 B15 58.1(5) . . ?
B19 B20 B15 109.9(6) . . ?
B22 B20 B15 109.4(6) . . ?
B14 B20 B21 107.7(6) . . ?
B19 B20 B21 110.8(6) . . ?
B22 B20 B21 61.1(5) . . ?
B15 B20 B21 59.8(5) . . ?
B14 B20 H02A 120.4 . . ?
B19 B20 H02A 118.8 . . ?
B22 B20 H02A 120.0 . . ?
B15 B20 H02A 122.0 . . ?
B21 B20 H02A 121.7 . . ?
B17 B21 B16 59.9(5) . . ?
B17 B21 B15 106.6(5) . . ?
B16 B21 B15 58.8(5) . . ?
B17 B21 B20 105.8(6) . . ?
B16 B21 B20 105.5(6) . . ?
B15 B21 B20 59.4(5) . . ?
B17 B21 B22 60.3(5) . . ?
B16 B21 B22 107.8(6) . . ?
B15 B21 B22 107.1(6) . . ?
B20 B21 B22 58.6(5) . . ?
B17 B21 H02B 121.6 . . ?
B16 B21 H02B 121.7 . . ?
B15 B21 H02B 122.7 . . ?
B20 B21 H02B 124.5 . . ?
B22 B21 H02B 122.1 . . ?
B18 B22 B20 106.1(6) . . ?
B18 B22 B17 61.6(5) . . ?
B20 B22 B17 104.8(6) . . ?
B18 B22 B19 60.2(5) . . ?
B20 B22 B19 57.8(5) . . ?
B17 B22 B19 107.6(5) . . ?
B18 B22 B21 107.9(6) . . ?
B20 B22 B21 60.3(5) . . ?
B17 B22 B21 57.3(5) . . ?
B19 B22 B21 107.0(6) . . ?
B18 B22 H02C 121.3 . . ?
B20 B22 H02C 123.2 . . ?
B17 B22 H02C 123.7 . . ?
B19 B22 H02C 121.6 . . ?
B21 B22 H02C 122.6 . . ?
B4 C1 C2 110.7(4) . . ?
B4 C1 B3 62.1(4) . . ?
C2 C1 B3 60.7(3) . . ?
B4 C1 B5 64.4(4) . . ?
C2 C1 B5 109.7(4) . . ?
B3 C1 B5 114.2(5) . . ?
B4 C1 B6 113.9(4) . . ?
C2 C1 B6 62.6(3) . . ?
B3 C1 B6 114.2(4) . . ?
B5 C1 B6 59.7(4) . . ?
B4 C1 S2 124.9(4) . . ?
C2 C1 S2 113.5(3) . . ?
B3 C1 S2 116.4(4) . . ?
B5 C1 S2 124.7(4) . . ?
B6 C1 S2 114.7(4) . . ?
O1 C2 B9 122.5(5) . . ?
O1 C2 C1 119.0(4) . . ?
B9 C2 C1 110.3(4) . . ?
O1 C2 B3 120.2(5) . . ?
B9 C2 B3 63.2(4) . . ?
C1 C2 B3 59.8(3) . . ?
O1 C2 B8 120.4(4) . . ?
B9 C2 B8 62.9(4) . . ?
C1 C2 B8 109.0(4) . . ?
B3 C2 B8 113.4(5) . . ?
O1 C2 B6 115.5(4) . . ?
B9 C2 B6 113.1(5) . . ?
C1 C2 B6 60.7(3) . . ?
B3 C2 B6 111.9(4) . . ?
B8 C2 B6 60.9(4) . . ?
C4 C3 B16 61.9(5) . . ?
C4 C3 B15 109.2(5) . . ?
B16 C3 B15 62.1(5) . . ?
C4 C3 B13 60.9(5) . . ?
B16 C3 B13 113.8(5) . . ?
B15 C3 B13 110.7(6) . . ?
C4 C3 B14 107.4(5) . . ?
B16 C3 B14 109.8(5) . . ?
B15 C3 B14 58.6(5) . . ?
B13 C3 B14 61.4(5) . . ?
C4 C3 S3 128.5(4) . . ?
B16 C3 S3 123.5(5) . . ?
B15 C3 S3 117.2(5) . . ?
B13 C3 S3 117.0(4) . . ?
B14 C3 S3 114.8(4) . . ?
C3 C4 B13 61.8(4) . . ?
C3 C4 B16 60.1(4) . . ?
B13 C4 B16 113.0(6) . . ?
C3 C4 B17 110.4(5) . . ?
B13 C4 B17 115.7(5) . . ?
B16 C4 B17 61.2(5) . . ?
C3 C4 B18 114.2(6) . . ?
B13 C4 B18 65.3(5) . . ?
B16 C4 B18 113.9(5) . . ?
B17 C4 B18 62.9(5) . . ?
C3 C4 H4A 119.1 . . ?
B13 C4 H4A 116.5 . . ?
B16 C4 H4A 118.9 . . ?
B17 C4 H4A 120.0 . . ?
B18 C4 H4A 117.9 . . ?
C6 C5 C10 121.5(5) . . ?
C6 C5 H8A 119.3 . . ?
C10 C5 H8A 119.3 . . ?
C5 C6 C7 118.6(5) . . ?
C5 C6 P1 119.5(4) . . ?
C7 C6 P1 121.5(4) . . ?
C8 C7 C6 120.8(6) . . ?
C8 C7 H16A 119.6 . . ?
C6 C7 H16A 119.6 . . ?
C9 C8 C7 121.1(5) . . ?
C9 C8 H19A 119.4 . . ?
C7 C8 H19A 119.4 . . ?
C8 C9 C10 120.5(5) . . ?
C8 C9 H21A 119.8 . . ?
C10 C9 H21A 119.8 . . ?
C9 C10 C5 117.5(5) . . ?
C9 C10 H23A 121.3 . . ?
C5 C10 H23A 121.3 . . ?
C12 C11 C16 121.1(6) . . ?
C12 C11 H6A 119.5 . . ?
C16 C11 H6A 119.5 . . ?
C13 C12 C11 120.6(6) . . ?
C13 C12 H22A 119.7 . . ?
C11 C12 H22A 119.7 . . ?
C12 C13 C14 119.3(5) . . ?
C12 C13 H32A 120.3 . . ?
C14 C13 H32A 120.3 . . ?
C13 C14 C15 120.2(6) . . ?
C13 C14 H33A 119.9 . . ?
C15 C14 H33A 119.9 . . ?
C14 C15 C16 120.7(6) . . ?
C14 C15 H20A 119.7 . . ?
C16 C15 H20A 119.7 . . ?
C11 C16 C15 118.0(5) . . ?
C11 C16 P1 120.4(4) . . ?
C15 C16 P1 121.5(4) . . ?
C22 C17 C18 118.1(5) . . ?
C22 C17 P1 122.9(4) . . ?
C18 C17 P1 118.9(4) . . ?
C19 C18 C17 121.2(5) . . ?
C19 C18 H3A 119.4 . . ?
C17 C18 H3A 119.4 . . ?
C20 C19 C18 119.2(6) . . ?
C20 C19 H15A 120.4 . . ?
C18 C19 H15A 120.4 . . ?
C19 C20 C21 122.1(6) . . ?
C19 C20 H28A 119.0 . . ?
C21 C20 H28A 119.0 . . ?
C20 C21 C22 118.7(6) . . ?
C20 C21 H27A 120.7 . . ?
C22 C21 H27A 120.7 . . ?
C17 C22 C21 120.7(5) . . ?
C17 C22 H11A 119.7 . . ?
C21 C22 H11A 119.7 . . ?
C28 C23 C24 120.2(6) . . ?
C28 C23 H14A 119.9 . . ?
C24 C23 H14A 119.9 . . ?
C25 C24 C23 121.4(6) . . ?
C25 C24 H30A 119.3 . . ?
C23 C24 H30A 119.3 . . ?
C24 C25 C26 119.0(6) . . ?
C24 C25 H37A 120.5 . . ?
C26 C25 H37A 120.5 . . ?
C27 C26 C25 121.6(6) . . ?
C27 C26 H24A 119.2 . . ?
C25 C26 H24A 119.2 . . ?
C26 C27 C28 119.4(6) . . ?
C26 C27 H34A 120.3 . . ?
C28 C27 H34A 120.3 . . ?
C23 C28 C27 118.4(5) . . ?
C23 C28 P2 121.3(4) . . ?
C27 C28 P2 120.3(5) . . ?
C34 C29 C30 119.9(6) . . ?
C34 C29 P2 119.5(5) . . ?
C30 C29 P2 120.6(4) . . ?
C31 C30 C29 119.0(6) . . ?
C31 C30 H45A 120.5 . . ?
C29 C30 H45A 120.5 . . ?
C32 C31 C30 120.5(7) . . ?
C32 C31 H49A 119.8 . . ?
C30 C31 H49A 119.8 . . ?
C31 C32 C33 121.1(6) . . ?
C31 C32 H46A 119.5 . . ?
C33 C32 H46A 119.5 . . ?
C32 C33 C34 118.5(6) . . ?
C32 C33 H41A 120.7 . . ?
C34 C33 H41A 120.7 . . ?
C29 C34 C33 120.9(6) . . ?
C29 C34 H26A 119.6 . . ?
C33 C34 H26A 119.6 . . ?
C40 C35 C36 116.9(5) . . ?
C40 C35 P2 124.2(4) . . ?
C36 C35 P2 118.9(4) . . ?
C37 C36 C35 120.7(6) . . ?
C37 C36 H17A 119.7 . . ?
C35 C36 H17A 119.7 . . ?
C38 C37 C36 121.7(6) . . ?
C38 C37 H29A 119.1 . . ?
C36 C37 H29A 119.1 . . ?
C37 C38 C39 118.4(6) . . ?
C37 C38 H18A 120.8 . . ?
C39 C38 H18A 120.8 . . ?
C40 C39 C38 121.7(6) . . ?
C40 C39 H13A 119.2 . . ?
C38 C39 H13A 119.2 . . ?
C39 C40 C35 120.6(6) . . ?
C39 C40 H2A 119.7 . . ?
C35 C40 H2A 119.7 . . ?
C2 O1 Ru1 116.6(3) . . ?
C17 P1 C16 101.8(2) . . ?
C17 P1 C6 103.7(2) . . ?
C16 P1 C6 101.0(3) . . ?
C17 P1 Ru1 113.55(16) . . ?
C16 P1 Ru1 126.58(18) . . ?
C6 P1 Ru1 107.51(15) . . ?
C28 P2 C35 104.5(3) . . ?
C28 P2 C29 104.6(3) . . ?
C35 P2 C29 102.8(2) . . ?
C28 P2 Ru1 119.56(19) . . ?
C35 P2 Ru1 114.76(18) . . ?
C29 P2 Ru1 108.97(18) . . ?
O1 Ru1 S3 96.90(10) . . ?
O1 Ru1 S2 87.51(9) . . ?
S3 Ru1 S2 153.74(6) . . ?
O1 Ru1 P2 92.10(10) . . ?
S3 Ru1 P2 95.04(6) . . ?
S2 Ru1 P2 110.71(5) . . ?
O1 Ru1 P1 166.61(10) . . ?
S3 Ru1 P1 84.64(5) . . ?
S2 Ru1 P1 85.42(5) . . ?
P2 Ru1 P1 101.03(5) . . ?
C1 S2 Ru1 102.70(16) . . ?
C3 S3 Ru1 120.5(2) . . ?
H1WA O1W H1WB 109.5 . . ?

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
C2 B3 B4 C1 36.2(4) . . . . ?
B9 B3 B4 C1 96.6(5) . . . . ?
B10 B3 B4 C1 134.4(5) . . . . ?
C1 B3 B4 B11 -96.5(6) . . . . ?
C2 B3 B4 B11 -60.3(6) . . . . ?
B9 B3 B4 B11 0.1(7) . . . . ?
B10 B3 B4 B11 37.9(5) . . . . ?
C1 B3 B4 B10 -134.4(5) . . . . ?
C2 B3 B4 B10 -98.2(5) . . . . ?
B9 B3 B4 B10 -37.8(5) . . . . ?
C1 B3 B4 B5 -35.0(4) . . . . ?
C2 B3 B4 B5 1.2(6) . . . . ?
B9 B3 B4 B5 61.7(6) . . . . ?
B10 B3 B4 B5 99.4(6) . . . . ?
B3 B4 B5 C1 35.1(4) . . . . ?
B11 B4 B5 C1 135.9(6) . . . . ?
B10 B4 B5 C1 99.2(5) . . . . ?
C1 B4 B5 B7 -98.4(5) . . . . ?
B3 B4 B5 B7 -63.3(6) . . . . ?
B11 B4 B5 B7 37.5(5) . . . . ?
B10 B4 B5 B7 0.7(7) . . . . ?
C1 B4 B5 B6 -33.7(4) . . . . ?
B3 B4 B5 B6 1.4(6) . . . . ?
B11 B4 B5 B6 102.2(6) . . . . ?
B10 B4 B5 B6 65.4(6) . . . . ?
C1 B4 B5 B11 -135.9(6) . . . . ?
B3 B4 B5 B11 -100.8(6) . . . . ?
B10 B4 B5 B11 -36.8(5) . . . . ?
C1 B5 B6 B7 -133.3(5) . . . . ?
B11 B5 B6 B7 -38.2(5) . . . . ?
B4 B5 B6 B7 -101.3(5) . . . . ?
B7 B5 B6 C1 133.3(5) . . . . ?
B11 B5 B6 C1 95.0(6) . . . . ?
B4 B5 B6 C1 32.0(4) . . . . ?
C1 B5 B6 B8 -95.3(4) . . . . ?
B7 B5 B6 B8 38.0(5) . . . . ?
B11 B5 B6 B8 -0.2(7) . . . . ?
B4 B5 B6 B8 -63.3(6) . . . . ?
C1 B5 B6 C2 -35.2(4) . . . . ?
B7 B5 B6 C2 98.0(5) . . . . ?
B11 B5 B6 C2 59.8(6) . . . . ?
B4 B5 B6 C2 -3.3(6) . . . . ?
C1 B5 B7 B6 41.9(4) . . . . ?
B11 B5 B7 B6 138.4(5) . . . . ?
B4 B5 B7 B6 101.9(5) . . . . ?
C1 B5 B7 B11 -96.5(6) . . . . ?
B6 B5 B7 B11 -138.4(5) . . . . ?
B4 B5 B7 B11 -36.5(5) . . . . ?
C1 B5 B7 B8 3.3(7) . . . . ?
B6 B5 B7 B8 -38.6(5) . . . . ?
B11 B5 B7 B8 99.8(6) . . . . ?
B4 B5 B7 B8 63.3(7) . . . . ?
C1 B5 B7 B12 -59.1(6) . . . . ?
B6 B5 B7 B12 -101.0(5) . . . . ?
B11 B5 B7 B12 37.4(5) . . . . ?
B4 B5 B7 B12 0.9(7) . . . . ?
C1 B6 B7 B5 -40.0(4) . . . . ?
B8 B6 B7 B5 -137.2(5) . . . . ?
C2 B6 B7 B5 -98.6(5) . . . . ?
B5 B6 B7 B11 37.0(5) . . . . ?
C1 B6 B7 B11 -3.1(6) . . . . ?
B8 B6 B7 B11 -100.2(6) . . . . ?
C2 B6 B7 B11 -61.6(6) . . . . ?
B5 B6 B7 B8 137.2(5) . . . . ?
C1 B6 B7 B8 97.2(5) . . . . ?
C2 B6 B7 B8 38.6(4) . . . . ?
B5 B6 B7 B12 100.1(6) . . . . ?
C1 B6 B7 B12 60.1(6) . . . . ?
B8 B6 B7 B12 -37.1(5) . . . . ?
C2 B6 B7 B12 1.5(7) . . . . ?
B5 B7 B8 C2 -2.9(7) . . . . ?
B6 B7 B8 C2 -41.0(4) . . . . ?
B11 B7 B8 C2 60.1(6) . . . . ?
B12 B7 B8 C2 97.1(5) . . . . ?
B5 B7 B8 B9 -62.7(6) . . . . ?
B6 B7 B8 B9 -100.8(5) . . . . ?
B11 B7 B8 B9 0.2(6) . . . . ?
B12 B7 B8 B9 37.2(5) . . . . ?
B5 B7 B8 B12 -99.9(6) . . . . ?
B6 B7 B8 B12 -138.0(6) . . . . ?
B11 B7 B8 B12 -37.0(5) . . . . ?
B5 B7 B8 B6 38.1(5) . . . . ?
B11 B7 B8 B6 101.1(5) . . . . ?
B12 B7 B8 B6 138.0(6) . . . . ?
B5 B6 B8 C2 96.5(5) . . . . ?
B7 B6 B8 C2 134.2(5) . . . . ?
C1 B6 B8 C2 35.3(4) . . . . ?
B5 B6 B8 B9 63.7(6) . . . . ?
B7 B6 B8 B9 101.4(6) . . . . ?
C1 B6 B8 B9 2.5(6) . . . . ?
C2 B6 B8 B9 -32.8(4) . . . . ?
B5 B6 B8 B7 -37.7(5) . . . . ?
C1 B6 B8 B7 -98.9(5) . . . . ?
C2 B6 B8 B7 -134.2(5) . . . . ?
B5 B6 B8 B12 0.7(6) . . . . ?
B7 B6 B8 B12 38.4(5) . . . . ?
C1 B6 B8 B12 -60.4(6) . . . . ?
C2 B6 B8 B12 -95.8(5) . . . . ?
C1 B3 B9 C2 -36.6(4) . . . . ?
B4 B3 B9 C2 -98.3(5) . . . . ?
B10 B3 B9 C2 -135.7(5) . . . . ?
C1 B3 B9 B12 63.8(6) . . . . ?
C2 B3 B9 B12 100.4(5) . . . . ?
B4 B3 B9 B12 2.0(7) . . . . ?
B10 B3 B9 B12 -35.3(5) . . . . ?
C1 B3 B9 B8 0.0(6) . . . . ?
C2 B3 B9 B8 36.6(4) . . . . ?
B4 B3 B9 B8 -61.7(6) . . . . ?
B10 B3 B9 B8 -99.1(6) . . . . ?
C1 B3 B9 B10 99.1(5) . . . . ?
C2 B3 B9 B10 135.7(5) . . . . ?
B4 B3 B9 B10 37.4(5) . . . . ?
B7 B8 B9 C2 97.4(5) . . . . ?
B12 B8 B9 C2 135.7(5) . . . . ?
B6 B8 B9 C2 34.6(5) . . . . ?
C2 B8 B9 B12 -135.7(5) . . . . ?
B7 B8 B9 B12 -38.3(5) . . . . ?
B6 B8 B9 B12 -101.0(6) . . . . ?
C2 B8 B9 B3 -36.3(4) . . . . ?
B7 B8 B9 B3 61.1(6) . . . . ?
B12 B8 B9 B3 99.3(6) . . . . ?
B6 B8 B9 B3 -1.7(7) . . . . ?
C2 B8 B9 B10 -99.5(5) . . . . ?
B7 B8 B9 B10 -2.1(6) . . . . ?
B12 B8 B9 B10 36.2(5) . . . . ?
B6 B8 B9 B10 -64.8(6) . . . . ?
C1 B4 B10 B12 59.3(6) . . . . ?
B3 B4 B10 B12 98.9(6) . . . . ?
B11 B4 B10 B12 -38.4(5) . . . . ?
B5 B4 B10 B12 -2.2(7) . . . . ?
C1 B4 B10 B11 97.7(6) . . . . ?
B3 B4 B10 B11 137.3(6) . . . . ?
B5 B4 B10 B11 36.2(5) . . . . ?
C1 B4 B10 B3 -39.7(5) . . . . ?
B11 B4 B10 B3 -137.3(6) . . . . ?
B5 B4 B10 B3 -101.1(5) . . . . ?
C1 B4 B10 B9 -3.5(7) . . . . ?
B3 B4 B10 B9 36.1(5) . . . . ?
B11 B4 B10 B9 -101.2(6) . . . . ?
B5 B4 B10 B9 -64.9(6) . . . . ?
C1 B3 B10 B12 -63.4(6) . . . . ?
C2 B3 B10 B12 -1.5(6) . . . . ?
B4 B3 B10 B12 -102.7(6) . . . . ?
B9 B3 B10 B12 36.0(5) . . . . ?
C1 B3 B10 B11 1.6(6) . . . . ?
C2 B3 B10 B11 63.6(6) . . . . ?
B4 B3 B10 B11 -37.6(5) . . . . ?
B9 B3 B10 B11 101.1(6) . . . . ?
C1 B3 B10 B4 39.3(5) . . . . ?
C2 B3 B10 B4 101.2(5) . . . . ?
B9 B3 B10 B4 138.7(6) . . . . ?
C1 B3 B10 B9 -99.4(5) . . . . ?
C2 B3 B10 B9 -37.5(4) . . . . ?
B4 B3 B10 B9 -138.7(6) . . . . ?
C2 B9 B10 B12 -100.4(6) . . . . ?
B3 B9 B10 B12 -139.3(6) . . . . ?
B8 B9 B10 B12 -37.2(5) . . . . ?
C2 B9 B10 B11 -60.0(7) . . . . ?
B12 B9 B10 B11 40.4(5) . . . . ?
B3 B9 B10 B11 -98.9(6) . . . . ?
B8 B9 B10 B11 3.1(7) . . . . ?
C2 B9 B10 B4 2.9(7) . . . . ?
B12 B9 B10 B4 103.3(6) . . . . ?
B3 B9 B10 B4 -36.0(5) . . . . ?
B8 B9 B10 B4 66.0(6) . . . . ?
C2 B9 B10 B3 38.9(5) . . . . ?
B12 B9 B10 B3 139.3(6) . . . . ?
B8 B9 B10 B3 102.1(5) . . . . ?
C1 B5 B11 B10 1.5(8) . . . . ?
B7 B5 B11 B10 -100.6(6) . . . . ?
B6 B5 B11 B10 -62.6(7) . . . . ?
B4 B5 B11 B10 38.3(6) . . . . ?
C1 B5 B11 B4 -36.8(5) . . . . ?
B7 B5 B11 B4 -138.9(5) . . . . ?
B6 B5 B11 B4 -100.9(5) . . . . ?
C1 B5 B11 B7 102.1(5) . . . . ?
B6 B5 B11 B7 38.0(5) . . . . ?
B4 B5 B11 B7 138.9(5) . . . . ?
C1 B5 B11 B12 63.7(7) . . . . ?
B7 B5 B11 B12 -38.4(5) . . . . ?
B6 B5 B11 B12 -0.4(7) . . . . ?
B4 B5 B11 B12 100.6(6) . . . . ?
B12 B10 B11 B5 99.2(7) . . . . ?
B4 B10 B11 B5 -39.2(6) . . . . ?
B3 B10 B11 B5 -2.0(8) . . . . ?
B9 B10 B11 B5 60.0(7) . . . . ?
B12 B10 B11 B4 138.4(6) . . . . ?
B3 B10 B11 B4 37.2(5) . . . . ?
B9 B10 B11 B4 99.2(6) . . . . ?
B12 B10 B11 B7 36.2(5) . . . . ?
B4 B10 B11 B7 -102.2(6) . . . . ?
B3 B10 B11 B7 -65.1(6) . . . . ?
B9 B10 B11 B7 -3.1(7) . . . . ?
B4 B10 B11 B12 -138.4(6) . . . . ?
B3 B10 B11 B12 -101.2(6) . . . . ?
B9 B10 B11 B12 -39.3(5) . . . . ?
C1 B4 B11 B5 37.9(5) . . . . ?
B3 B4 B11 B5 99.6(5) . . . . ?
B10 B4 B11 B5 138.2(6) . . . . ?
C1 B4 B11 B10 -100.3(5) . . . . ?
B3 B4 B11 B10 -38.5(5) . . . . ?
B5 B4 B11 B10 -138.2(6) . . . . ?
C1 B4 B11 B7 1.2(7) . . . . ?
B3 B4 B11 B7 63.0(7) . . . . ?
B10 B4 B11 B7 101.5(6) . . . . ?
B5 B4 B11 B7 -36.7(5) . . . . ?
C1 B4 B11 B12 -64.0(7) . . . . ?
B3 B4 B11 B12 -2.2(7) . . . . ?
B10 B4 B11 B12 36.3(5) . . . . ?
B5 B4 B11 B12 -101.9(6) . . . . ?
B6 B7 B11 B5 -37.0(5) . . . . ?
B8 B7 B11 B5 -101.2(5) . . . . ?
B12 B7 B11 B5 -137.8(5) . . . . ?
B5 B7 B11 B10 102.9(6) . . . . ?
B6 B7 B11 B10 65.9(6) . . . . ?
B8 B7 B11 B10 1.8(7) . . . . ?
B12 B7 B11 B10 -34.9(5) . . . . ?
B5 B7 B11 B4 38.2(5) . . . . ?
B6 B7 B11 B4 1.2(7) . . . . ?
B8 B7 B11 B4 -62.9(7) . . . . ?
B12 B7 B11 B4 -99.6(6) . . . . ?
B5 B7 B11 B12 137.8(5) . . . . ?
B6 B7 B11 B12 100.8(5) . . . . ?
B8 B7 B11 B12 36.7(5) . . . . ?
B11 B10 B12 B9 -135.6(5) . . . . ?
B4 B10 B12 B9 -98.1(5) . . . . ?
B3 B10 B12 B9 -35.8(5) . . . . ?
B11 B10 B12 B8 -97.6(6) . . . . ?
B4 B10 B12 B8 -60.1(7) . . . . ?
B3 B10 B12 B8 2.2(7) . . . . ?
B9 B10 B12 B8 38.0(5) . . . . ?
B4 B10 B12 B11 37.5(5) . . . . ?
B3 B10 B12 B11 99.7(6) . . . . ?
B9 B10 B12 B11 135.6(5) . . . . ?
B11 B10 B12 B7 -34.8(5) . . . . ?
B4 B10 B12 B7 2.7(7) . . . . ?
B3 B10 B12 B7 65.0(6) . . . . ?
B9 B10 B12 B7 100.8(5) . . . . ?
C2 B9 B12 B10 98.8(6) . . . . ?
B3 B9 B12 B10 36.1(5) . . . . ?
B8 B9 B12 B10 138.2(5) . . . . ?
C2 B9 B12 B8 -39.4(5) . . . . ?
B3 B9 B12 B8 -102.1(5) . . . . ?
B10 B9 B12 B8 -138.2(5) . . . . ?
C2 B9 B12 B11 59.3(7) . . . . ?
B3 B9 B12 B11 -3.4(7) . . . . ?
B8 B9 B12 B11 98.7(6) . . . . ?
B10 B9 B12 B11 -39.5(5) . . . . ?
C2 B9 B12 B7 -2.7(7) . . . . ?
B3 B9 B12 B7 -65.4(6) . . . . ?
B8 B9 B12 B7 36.7(5) . . . . ?
B10 B9 B12 B7 -101.5(6) . . . . ?
C2 B8 B12 B10 -2.0(7) . . . . ?
B9 B8 B12 B10 -39.0(5) . . . . ?
B7 B8 B12 B10 99.4(6) . . . . ?
B6 B8 B12 B10 62.1(6) . . . . ?
C2 B8 B12 B9 37.0(4) . . . . ?
B7 B8 B12 B9 138.3(5) . . . . ?
B6 B8 B12 B9 101.1(5) . . . . ?
C2 B8 B12 B11 -65.0(6) . . . . ?
B9 B8 B12 B11 -102.1(6) . . . . ?
B7 B8 B12 B11 36.3(5) . . . . ?
B6 B8 B12 B11 -0.9(7) . . . . ?
C2 B8 B12 B7 -101.3(5) . . . . ?
B9 B8 B12 B7 -138.3(5) . . . . ?
B6 B8 B12 B7 -37.2(5) . . . . ?
B5 B11 B12 B10 -103.4(6) . . . . ?
B4 B11 B12 B10 -37.3(5) . . . . ?
B7 B11 B12 B10 -140.6(5) . . . . ?
B5 B11 B12 B9 -62.6(7) . . . . ?
B10 B11 B12 B9 40.8(5) . . . . ?
B4 B11 B12 B9 3.5(8) . . . . ?
B7 B11 B12 B9 -99.8(6) . . . . ?
B5 B11 B12 B8 0.8(7) . . . . ?
B10 B11 B12 B8 104.2(6) . . . . ?
B4 B11 B12 B8 66.9(7) . . . . ?
B7 B11 B12 B8 -36.4(5) . . . . ?
B5 B11 B12 B7 37.2(5) . . . . ?
B10 B11 B12 B7 140.6(5) . . . . ?
B4 B11 B12 B7 103.3(6) . . . . ?
B5 B7 B12 B10 -2.3(7) . . . . ?
B6 B7 B12 B10 -65.3(7) . . . . ?
B11 B7 B12 B10 35.2(5) . . . . ?
B8 B7 B12 B10 -103.2(6) . . . . ?
B5 B7 B12 B9 63.7(7) . . . . ?
B6 B7 B12 B9 0.7(7) . . . . ?
B11 B7 B12 B9 101.1(6) . . . . ?
B8 B7 B12 B9 -37.2(5) . . . . ?
B5 B7 B12 B8 100.9(5) . . . . ?
B6 B7 B12 B8 37.9(5) . . . . ?
B11 B7 B12 B8 138.4(5) . . . . ?
B5 B7 B12 B11 -37.4(5) . . . . ?
B6 B7 B12 B11 -100.5(6) . . . . ?
B8 B7 B12 B11 -138.4(5) . . . . ?
C4 B13 B14 B15 -5.4(7) . . . . ?
C3 B13 B14 B15 33.1(5) . . . . ?
B19 B13 B14 B15 -103.5(7) . . . . ?
B18 B13 B14 B15 -65.5(7) . . . . ?
C4 B13 B14 B20 62.4(7) . . . . ?
C3 B13 B14 B20 101.0(7) . . . . ?
B19 B13 B14 B20 -35.6(6) . . . . ?
B18 B13 B14 B20 2.4(8) . . . . ?
C4 B13 B14 C3 -38.5(5) . . . . ?
B19 B13 B14 C3 -136.6(6) . . . . ?
B18 B13 B14 C3 -98.6(6) . . . . ?
C4 B13 B14 B19 98.0(6) . . . . ?
C3 B13 B14 B19 136.6(6) . . . . ?
B18 B13 B14 B19 38.0(6) . . . . ?
B20 B14 B15 C3 -134.7(6) . . . . ?
B13 B14 B15 C3 -32.8(5) . . . . ?
B19 B14 B15 C3 -98.1(6) . . . . ?
B20 B14 B15 B16 -99.8(7) . . . . ?
C3 B14 B15 B16 34.9(5) . . . . ?
B13 B14 B15 B16 2.1(8) . . . . ?
B19 B14 B15 B16 -63.2(8) . . . . ?
C3 B14 B15 B20 134.7(6) . . . . ?
B13 B14 B15 B20 101.9(6) . . . . ?
B19 B14 B15 B20 36.6(6) . . . . ?
B20 B14 B15 B21 -35.4(6) . . . . ?
C3 B14 B15 B21 99.3(6) . . . . ?
B13 B14 B15 B21 66.5(7) . . . . ?
B19 B14 B15 B21 1.1(8) . . . . ?
B14 B15 B16 C3 -36.2(6) . . . . ?
B20 B15 B16 C3 -98.1(7) . . . . ?
B21 B15 B16 C3 -137.5(6) . . . . ?
B14 B15 B16 C4 2.2(7) . . . . ?
C3 B15 B16 C4 38.4(5) . . . . ?
B20 B15 B16 C4 -59.7(7) . . . . ?
B21 B15 B16 C4 -99.1(6) . . . . ?
B14 B15 B16 B17 64.3(7) . . . . ?
C3 B15 B16 B17 100.5(6) . . . . ?
B20 B15 B16 B17 2.4(8) . . . . ?
B21 B15 B16 B17 -37.0(6) . . . . ?
B14 B15 B16 B21 101.3(7) . . . . ?
C3 B15 B16 B21 137.5(6) . . . . ?
B20 B15 B16 B21 39.4(6) . . . . ?
C3 B16 B17 C4 -34.1(5) . . . . ?
B15 B16 B17 C4 -96.8(6) . . . . ?
B21 B16 B17 C4 -134.8(6) . . . . ?
C3 B16 B17 B21 100.6(6) . . . . ?
C4 B16 B17 B21 134.8(6) . . . . ?
B15 B16 B17 B21 38.0(6) . . . . ?
C3 B16 B17 B22 60.9(8) . . . . ?
C4 B16 B17 B22 95.0(6) . . . . ?
B15 B16 B17 B22 -1.8(8) . . . . ?
B21 B16 B17 B22 -39.8(6) . . . . ?
C3 B16 B17 B18 -1.2(8) . . . . ?
C4 B16 B17 B18 32.9(6) . . . . ?
B15 B16 B17 B18 -63.9(7) . . . . ?
B21 B16 B17 B18 -101.9(6) . . . . ?
B21 B17 B18 C4 -98.5(6) . . . . ?
B16 B17 B18 C4 -33.0(5) . . . . ?
B22 B17 B18 C4 -136.0(6) . . . . ?
C4 B17 B18 B22 136.0(6) . . . . ?
B21 B17 B18 B22 37.4(5) . . . . ?
B16 B17 B18 B22 103.0(7) . . . . ?
C4 B17 B18 B19 95.3(6) . . . . ?
B21 B17 B18 B19 -3.2(7) . . . . ?
B16 B17 B18 B19 62.3(7) . . . . ?
B22 B17 B18 B19 -40.7(5) . . . . ?
C4 B17 B18 B13 33.3(5) . . . . ?
B21 B17 B18 B13 -65.2(7) . . . . ?
B16 B17 B18 B13 0.4(8) . . . . ?
B22 B17 B18 B13 -102.6(6) . . . . ?
C3 B13 B18 C4 34.6(5) . . . . ?
B14 B13 B18 C4 96.4(6) . . . . ?
B19 B13 B18 C4 135.5(7) . . . . ?
C4 B13 B18 B22 -97.1(7) . . . . ?
C3 B13 B18 B22 -62.5(7) . . . . ?
B14 B13 B18 B22 -0.7(8) . . . . ?
B19 B13 B18 B22 38.4(6) . . . . ?
C4 B13 B18 B19 -135.5(7) . . . . ?
C3 B13 B18 B19 -100.9(7) . . . . ?
B14 B13 B18 B19 -39.1(6) . . . . ?
C4 B13 B18 B17 -34.0(5) . . . . ?
C3 B13 B18 B17 0.6(7) . . . . ?
B14 B13 B18 B17 62.4(7) . . . . ?
B19 B13 B18 B17 101.5(7) . . . . ?
C4 B18 B19 B20 62.7(7) . . . . ?
B22 B18 B19 B20 -37.9(6) . . . . ?
B17 B18 B19 B20 2.3(7) . . . . ?
B13 B18 B19 B20 99.7(7) . . . . ?
C4 B18 B19 B22 100.6(6) . . . . ?
B17 B18 B19 B22 40.2(5) . . . . ?
B13 B18 B19 B22 137.6(6) . . . . ?
C4 B18 B19 B14 2.2(8) . . . . ?
B22 B18 B19 B14 -98.4(7) . . . . ?
B17 B18 B19 B14 -58.2(7) . . . . ?
B13 B18 B19 B14 39.2(6) . . . . ?
C4 B18 B19 B13 -37.0(5) . . . . ?
B22 B18 B19 B13 -137.6(6) . . . . ?
B17 B18 B19 B13 -97.4(6) . . . . ?
B15 B14 B19 B20 -38.4(6) . . . . ?
C3 B14 B19 B20 -102.0(7) . . . . ?
B13 B14 B19 B20 -140.1(7) . . . . ?
B15 B14 B19 B18 60.7(8) . . . . ?
B20 B14 B19 B18 99.1(7) . . . . ?
C3 B14 B19 B18 -2.9(8) . . . . ?
B13 B14 B19 B18 -41.0(6) . . . . ?
B15 B14 B19 B22 -0.8(8) . . . . ?
B20 B14 B19 B22 37.6(6) . . . . ?
C3 B14 B19 B22 -64.4(7) . . . . ?
B13 B14 B19 B22 -102.5(7) . . . . ?
B15 B14 B19 B13 101.7(6) . . . . ?
B20 B14 B19 B13 140.1(7) . . . . ?
C3 B14 B19 B13 38.1(5) . . . . ?
C4 B13 B19 B20 -63.5(7) . . . . ?
C3 B13 B19 B20 -4.0(8) . . . . ?
B14 B13 B19 B20 34.2(6) . . . . ?
B18 B13 B19 B20 -101.2(7) . . . . ?
C4 B13 B19 B18 37.7(6) . . . . ?
C3 B13 B19 B18 97.2(6) . . . . ?
B14 B13 B19 B18 135.4(7) . . . . ?
C4 B13 B19 B22 0.3(8) . . . . ?
C3 B13 B19 B22 59.7(8) . . . . ?
B14 B13 B19 B22 98.0(7) . . . . ?
B18 B13 B19 B22 -37.4(6) . . . . ?
C4 B13 B19 B14 -97.7(6) . . . . ?
C3 B13 B19 B14 -38.3(5) . . . . ?
B18 B13 B19 B14 -135.4(7) . . . . ?
B15 B14 B20 B19 139.6(7) . . . . ?
C3 B14 B20 B19 99.1(7) . . . . ?
B13 B14 B20 B19 36.3(6) . . . . ?
B15 B14 B20 B22 100.0(7) . . . . ?
C3 B14 B20 B22 59.5(9) . . . . ?
B13 B14 B20 B22 -3.3(9) . . . . ?
B19 B14 B20 B22 -39.6(6) . . . . ?
C3 B14 B20 B15 -40.5(6) . . . . ?
B13 B14 B20 B15 -103.3(7) . . . . ?
B19 B14 B20 B15 -139.6(7) . . . . ?
B15 B14 B20 B21 34.8(6) . . . . ?
C3 B14 B20 B21 -5.8(9) . . . . ?
B13 B14 B20 B21 -68.6(8) . . . . ?
B19 B14 B20 B21 -104.9(7) . . . . ?
B18 B19 B20 B14 -100.7(6) . . . . ?
B22 B19 B20 B14 -137.7(6) . . . . ?
B13 B19 B20 B14 -34.9(6) . . . . ?
B18 B19 B20 B22 37.0(5) . . . . ?
B14 B19 B20 B22 137.7(6) . . . . ?
B13 B19 B20 B22 102.8(6) . . . . ?
B18 B19 B20 B15 -64.9(8) . . . . ?
B22 B19 B20 B15 -101.9(7) . . . . ?
B14 B19 B20 B15 35.8(6) . . . . ?
B13 B19 B20 B15 1.0(9) . . . . ?
B18 B19 B20 B21 -0.7(8) . . . . ?
B22 B19 B20 B21 -37.7(6) . . . . ?
B14 B19 B20 B21 100.0(7) . . . . ?
B13 B19 B20 B21 65.2(8) . . . . ?
C3 B15 B20 B14 40.5(6) . . . . ?
B16 B15 B20 B14 101.8(6) . . . . ?
B21 B15 B20 B14 141.1(6) . . . . ?
B14 B15 B20 B19 -38.0(6) . . . . ?
C3 B15 B20 B19 2.5(8) . . . . ?
B16 B15 B20 B19 63.8(8) . . . . ?
B21 B15 B20 B19 103.0(7) . . . . ?
B14 B15 B20 B22 -104.0(7) . . . . ?
C3 B15 B20 B22 -63.5(8) . . . . ?
B16 B15 B20 B22 -2.2(8) . . . . ?
B21 B15 B20 B22 37.1(6) . . . . ?
B14 B15 B20 B21 -141.1(6) . . . . ?
C3 B15 B20 B21 -100.5(6) . . . . ?
B16 B15 B20 B21 -39.2(6) . . . . ?
C4 B17 B21 B16 39.5(5) . . . . ?
B22 B17 B21 B16 137.5(6) . . . . ?
B18 B17 B21 B16 101.8(6) . . . . ?
C4 B17 B21 B15 2.6(8) . . . . ?
B16 B17 B21 B15 -37.0(6) . . . . ?
B22 B17 B21 B15 100.5(6) . . . . ?
B18 B17 B21 B15 64.9(8) . . . . ?
C4 B17 B21 B20 -59.6(7) . . . . ?
B16 B17 B21 B20 -99.1(6) . . . . ?
B22 B17 B21 B20 38.4(5) . . . . ?
B18 B17 B21 B20 2.7(7) . . . . ?
C4 B17 B21 B22 -97.9(6) . . . . ?
B16 B17 B21 B22 -137.5(6) . . . . ?
B18 B17 B21 B22 -35.6(5) . . . . ?
C3 B16 B21 B17 -99.9(7) . . . . ?
C4 B16 B21 B17 -39.3(6) . . . . ?
B15 B16 B21 B17 -137.6(6) . . . . ?
C3 B16 B21 B15 37.7(6) . . . . ?
C4 B16 B21 B15 98.3(6) . . . . ?
B17 B16 B21 B15 137.6(6) . . . . ?
C3 B16 B21 B20 -0.4(8) . . . . ?
C4 B16 B21 B20 60.2(7) . . . . ?
B15 B16 B21 B20 -38.1(6) . . . . ?
B17 B16 B21 B20 99.5(7) . . . . ?
C3 B16 B21 B22 -61.8(8) . . . . ?
C4 B16 B21 B22 -1.2(8) . . . . ?
B15 B16 B21 B22 -99.5(7) . . . . ?
B17 B16 B21 B22 38.1(5) . . . . ?
B14 B15 B21 B17 -64.4(8) . . . . ?
C3 B15 B21 B17 0.5(8) . . . . ?
B16 B15 B21 B17 37.5(6) . . . . ?
B20 B15 B21 B17 -98.8(7) . . . . ?
B14 B15 B21 B16 -101.9(6) . . . . ?
C3 B15 B21 B16 -36.9(6) . . . . ?
B20 B15 B21 B16 -136.3(6) . . . . ?
B14 B15 B21 B20 34.4(6) . . . . ?
C3 B15 B21 B20 99.3(7) . . . . ?
B16 B15 B21 B20 136.3(6) . . . . ?
B14 B15 B21 B22 -1.0(8) . . . . ?
C3 B15 B21 B22 63.9(8) . . . . ?
B16 B15 B21 B22 100.8(6) . . . . ?
B20 B15 B21 B22 -35.4(6) . . . . ?
B14 B20 B21 B17 66.2(8) . . . . ?
B19 B20 B21 B17 -1.3(8) . . . . ?
B22 B20 B21 B17 -39.2(5) . . . . ?
B15 B20 B21 B17 100.3(6) . . . . ?
B14 B20 B21 B16 3.8(9) . . . . ?
B19 B20 B21 B16 -63.7(8) . . . . ?
B22 B20 B21 B16 -101.6(6) . . . . ?
B15 B20 B21 B16 37.9(6) . . . . ?
B14 B20 B21 B15 -34.0(6) . . . . ?
B19 B20 B21 B15 -101.6(7) . . . . ?
B22 B20 B21 B15 -139.5(6) . . . . ?
B14 B20 B21 B22 105.5(7) . . . . ?
B19 B20 B21 B22 37.9(6) . . . . ?
B15 B20 B21 B22 139.5(6) . . . . ?
C4 B18 B22 B20 -60.6(8) . . . . ?
B19 B18 B22 B20 36.4(6) . . . . ?
B17 B18 B22 B20 -98.4(7) . . . . ?
B13 B18 B22 B20 -1.2(8) . . . . ?
C4 B18 B22 B17 37.8(6) . . . . ?
B19 B18 B22 B17 134.8(6) . . . . ?
B13 B18 B22 B17 97.2(6) . . . . ?
C4 B18 B22 B19 -97.0(6) . . . . ?
B17 B18 B22 B19 -134.8(6) . . . . ?
B13 B18 B22 B19 -37.6(6) . . . . ?
C4 B18 B22 B21 2.8(8) . . . . ?
B19 B18 B22 B21 99.7(6) . . . . ?
B17 B18 B22 B21 -35.0(6) . . . . ?
B13 B18 B22 B21 62.1(7) . . . . ?
B14 B20 B22 B18 2.8(9) . . . . ?
B19 B20 B22 B18 -37.5(6) . . . . ?
B15 B20 B22 B18 65.2(8) . . . . ?
B21 B20 B22 B18 101.7(6) . . . . ?
B14 B20 B22 B17 -61.3(8) . . . . ?
B19 B20 B22 B17 -101.7(6) . . . . ?
B15 B20 B22 B17 1.0(8) . . . . ?
B21 B20 B22 B17 37.6(5) . . . . ?
B14 B20 B22 B19 40.4(6) . . . . ?
B15 B20 B22 B19 102.8(7) . . . . ?
B21 B20 B22 B19 139.3(6) . . . . ?
B14 B20 B22 B21 -98.9(7) . . . . ?
B19 B20 B22 B21 -139.3(6) . . . . ?
B15 B20 B22 B21 -36.5(6) . . . . ?
C4 B17 B22 B18 -38.0(5) . . . . ?
B21 B17 B22 B18 -139.6(6) . . . . ?
B16 B17 B22 B18 -100.1(6) . . . . ?
C4 B17 B22 B20 62.6(7) . . . . ?
B21 B17 B22 B20 -39.0(6) . . . . ?
B16 B17 B22 B20 0.4(8) . . . . ?
B18 B17 B22 B20 100.6(6) . . . . ?
C4 B17 B22 B19 2.3(8) . . . . ?
B21 B17 B22 B19 -99.3(6) . . . . ?
B16 B17 B22 B19 -59.9(8) . . . . ?
B18 B17 B22 B19 40.3(6) . . . . ?
C4 B17 B22 B21 101.5(6) . . . . ?
B16 B17 B22 B21 39.4(6) . . . . ?
B18 B17 B22 B21 139.6(6) . . . . ?
B20 B19 B22 B18 137.6(6) . . . . ?
B14 B19 B22 B18 101.4(7) . . . . ?
B13 B19 B22 B18 39.3(6) . . . . ?
B18 B19 B22 B20 -137.6(6) . . . . ?
B14 B19 B22 B20 -36.2(6) . . . . ?
B13 B19 B22 B20 -98.3(7) . . . . ?
B20 B19 B22 B17 96.7(7) . . . . ?
B18 B19 B22 B17 -40.9(6) . . . . ?
B14 B19 B22 B17 60.4(8) . . . . ?
B13 B19 B22 B17 -1.6(9) . . . . ?
B20 B19 B22 B21 36.3(6) . . . . ?
B18 B19 B22 B21 -101.2(6) . . . . ?
B14 B19 B22 B21 0.1(8) . . . . ?
B13 B19 B22 B21 -61.9(8) . . . . ?
B17 B21 B22 B18 36.8(6) . . . . ?
B16 B21 B22 B18 -1.0(8) . . . . ?
B15 B21 B22 B18 -62.9(7) . . . . ?
B20 B21 B22 B18 -98.7(6) . . . . ?
B17 B21 B22 B20 135.6(6) . . . . ?
B16 B21 B22 B20 97.7(6) . . . . ?
B15 B21 B22 B20 35.8(6) . . . . ?
B16 B21 B22 B17 -37.9(5) . . . . ?
B15 B21 B22 B17 -99.8(6) . . . . ?
B20 B21 B22 B17 -135.6(6) . . . . ?
B17 B21 B22 B19 100.3(6) . . . . ?
B16 B21 B22 B19 62.4(8) . . . . ?
B15 B21 B22 B19 0.5(8) . . . . ?
B20 B21 B22 B19 -35.2(6) . . . . ?
B3 B4 C1 C2 -37.6(4) . . . . ?
B11 B4 C1 C2 64.9(6) . . . . ?
B10 B4 C1 C2 3.0(6) . . . . ?
B5 B4 C1 C2 102.6(5) . . . . ?
B11 B4 C1 B3 102.5(6) . . . . ?
B10 B4 C1 B3 40.6(5) . . . . ?
B5 B4 C1 B3 140.2(5) . . . . ?
B3 B4 C1 B5 -140.2(5) . . . . ?
B11 B4 C1 B5 -37.7(5) . . . . ?
B10 B4 C1 B5 -99.7(6) . . . . ?
B3 B4 C1 B6 -105.9(5) . . . . ?
B11 B4 C1 B6 -3.3(6) . . . . ?
B10 B4 C1 B6 -65.3(6) . . . . ?
B5 B4 C1 B6 34.3(5) . . . . ?
B3 B4 C1 S2 104.0(5) . . . . ?
B11 B4 C1 S2 -153.4(4) . . . . ?
B10 B4 C1 S2 144.6(4) . . . . ?
B5 B4 C1 S2 -115.7(5) . . . . ?
C2 B3 C1 B4 -139.1(5) . . . . ?
B9 B3 C1 B4 -103.6(6) . . . . ?
B10 B3 C1 B4 -40.0(5) . . . . ?
B4 B3 C1 C2 139.1(5) . . . . ?
B9 B3 C1 C2 35.5(4) . . . . ?
B10 B3 C1 C2 99.1(5) . . . . ?
C2 B3 C1 B5 -99.9(5) . . . . ?
B4 B3 C1 B5 39.2(5) . . . . ?
B9 B3 C1 B5 -64.4(6) . . . . ?
B10 B3 C1 B5 -0.8(6) . . . . ?
C2 B3 C1 B6 -33.8(4) . . . . ?
B4 B3 C1 B6 105.3(5) . . . . ?
B9 B3 C1 B6 1.7(6) . . . . ?
B10 B3 C1 B6 65.4(5) . . . . ?
C2 B3 C1 S2 103.4(4) . . . . ?
B4 B3 C1 S2 -117.4(5) . . . . ?
B9 B3 C1 S2 138.9(4) . . . . ?
B10 B3 C1 S2 -157.4(4) . . . . ?
B7 B5 C1 B4 101.6(6) . . . . ?
B6 B5 C1 B4 143.3(5) . . . . ?
B11 B5 C1 B4 37.9(5) . . . . ?
B7 B5 C1 C2 -2.5(6) . . . . ?
B6 B5 C1 C2 39.1(4) . . . . ?
B11 B5 C1 C2 -66.3(6) . . . . ?
B4 B5 C1 C2 -104.2(5) . . . . ?
B7 B5 C1 B3 63.3(7) . . . . ?
B6 B5 C1 B3 105.0(5) . . . . ?
B11 B5 C1 B3 -0.4(7) . . . . ?
B4 B5 C1 B3 -38.3(5) . . . . ?
B7 B5 C1 B6 -41.7(5) . . . . ?
B11 B5 C1 B6 -105.4(6) . . . . ?
B4 B5 C1 B6 -143.3(5) . . . . ?
B7 B5 C1 S2 -142.2(5) . . . . ?
B6 B5 C1 S2 -100.5(5) . . . . ?
B11 B5 C1 S2 154.0(5) . . . . ?
B4 B5 C1 S2 116.2(5) . . . . ?
B5 B6 C1 B4 -36.1(5) . . . . ?
B7 B6 C1 B4 4.1(6) . . . . ?
B8 B6 C1 B4 66.1(6) . . . . ?
C2 B6 C1 B4 101.9(5) . . . . ?
B5 B6 C1 C2 -138.0(5) . . . . ?
B7 B6 C1 C2 -97.8(4) . . . . ?
B8 B6 C1 C2 -35.8(4) . . . . ?
B5 B6 C1 B3 -104.9(5) . . . . ?
B7 B6 C1 B3 -64.7(6) . . . . ?
B8 B6 C1 B3 -2.7(6) . . . . ?
C2 B6 C1 B3 33.1(4) . . . . ?
B7 B6 C1 B5 40.2(4) . . . . ?
B8 B6 C1 B5 102.2(5) . . . . ?
C2 B6 C1 B5 138.0(5) . . . . ?
B5 B6 C1 S2 117.2(4) . . . . ?
B7 B6 C1 S2 157.4(4) . . . . ?
B8 B6 C1 S2 -140.6(4) . . . . ?
C2 B6 C1 S2 -104.8(4) . . . . ?
B12 B9 C2 O1 149.9(5) . . . . ?
B3 B9 C2 O1 -110.2(6) . . . . ?
B8 B9 C2 O1 110.4(6) . . . . ?
B10 B9 C2 O1 -149.2(5) . . . . ?
B12 B9 C2 C1 -62.0(6) . . . . ?
B3 B9 C2 C1 37.9(5) . . . . ?
B8 B9 C2 C1 -101.5(5) . . . . ?
B10 B9 C2 C1 -1.1(7) . . . . ?
B12 B9 C2 B3 -99.9(6) . . . . ?
B8 B9 C2 B3 -139.4(5) . . . . ?
B10 B9 C2 B3 -39.0(5) . . . . ?
B12 B9 C2 B8 39.5(5) . . . . ?
B3 B9 C2 B8 139.4(5) . . . . ?
B10 B9 C2 B8 100.4(6) . . . . ?
B12 B9 C2 B6 3.9(7) . . . . ?
B3 B9 C2 B6 103.8(5) . . . . ?
B8 B9 C2 B6 -35.6(5) . . . . ?
B10 B9 C2 B6 64.8(6) . . . . ?
B4 C1 C2 O1 148.2(5) . . . . ?
B3 C1 C2 O1 110.0(5) . . . . ?
B5 C1 C2 O1 -142.6(5) . . . . ?
B6 C1 C2 O1 -104.8(5) . . . . ?
S2 C1 C2 O1 1.9(6) . . . . ?
B4 C1 C2 B9 -1.2(6) . . . . ?
B3 C1 C2 B9 -39.4(5) . . . . ?
B5 C1 C2 B9 68.0(6) . . . . ?
B6 C1 C2 B9 105.8(5) . . . . ?
S2 C1 C2 B9 -147.5(4) . . . . ?
B4 C1 C2 B3 38.2(5) . . . . ?
B5 C1 C2 B3 107.4(5) . . . . ?
B6 C1 C2 B3 145.2(5) . . . . ?
S2 C1 C2 B3 -108.1(4) . . . . ?
B4 C1 C2 B8 -68.4(5) . . . . ?
B3 C1 C2 B8 -106.6(5) . . . . ?
B5 C1 C2 B8 0.7(6) . . . . ?
B6 C1 C2 B8 38.6(4) . . . . ?
S2 C1 C2 B8 145.2(4) . . . . ?
B4 C1 C2 B6 -107.0(5) . . . . ?
B3 C1 C2 B6 -145.2(5) . . . . ?
B5 C1 C2 B6 -37.8(5) . . . . ?
S2 C1 C2 B6 106.7(4) . . . . ?
C1 B3 C2 O1 -108.0(5) . . . . ?
B4 B3 C2 O1 -143.9(5) . . . . ?
B9 B3 C2 O1 113.8(5) . . . . ?
B10 B3 C2 O1 153.1(5) . . . . ?
C1 B3 C2 B9 138.2(5) . . . . ?
B4 B3 C2 B9 102.4(6) . . . . ?
B10 B3 C2 B9 39.4(5) . . . . ?
B4 B3 C2 C1 -35.8(4) . . . . ?
B9 B3 C2 C1 -138.2(5) . . . . ?
B10 B3 C2 C1 -98.8(5) . . . . ?
C1 B3 C2 B8 99.1(5) . . . . ?
B4 B3 C2 B8 63.2(6) . . . . ?
B9 B3 C2 B8 -39.1(5) . . . . ?
B10 B3 C2 B8 0.2(6) . . . . ?
C1 B3 C2 B6 32.5(4) . . . . ?
B4 B3 C2 B6 -3.4(6) . . . . ?
B9 B3 C2 B6 -105.8(5) . . . . ?
B10 B3 C2 B6 -66.4(5) . . . . ?
B9 B8 C2 O1 -113.6(5) . . . . ?
B7 B8 C2 O1 144.0(5) . . . . ?
B12 B8 C2 O1 -151.8(5) . . . . ?
B6 B8 C2 O1 104.2(5) . . . . ?
B7 B8 C2 B9 -102.4(6) . . . . ?
B12 B8 C2 B9 -38.2(5) . . . . ?
B6 B8 C2 B9 -142.2(5) . . . . ?
B9 B8 C2 C1 103.7(5) . . . . ?
B7 B8 C2 C1 1.3(6) . . . . ?
B12 B8 C2 C1 65.5(5) . . . . ?
B6 B8 C2 C1 -38.5(4) . . . . ?
B9 B8 C2 B3 39.2(5) . . . . ?
B7 B8 C2 B3 -63.1(6) . . . . ?
B12 B8 C2 B3 1.0(6) . . . . ?
B6 B8 C2 B3 -102.9(5) . . . . ?
B9 B8 C2 B6 142.2(5) . . . . ?
B7 B8 C2 B6 39.8(5) . . . . ?
B12 B8 C2 B6 104.0(5) . . . . ?
B5 B6 C2 O1 146.6(5) . . . . ?
B7 B6 C2 O1 -151.9(5) . . . . ?
C1 B6 C2 O1 110.3(5) . . . . ?
B8 B6 C2 O1 -112.1(5) . . . . ?
B5 B6 C2 B9 -64.9(6) . . . . ?
B7 B6 C2 B9 -3.4(7) . . . . ?
C1 B6 C2 B9 -101.2(5) . . . . ?
B8 B6 C2 B9 36.4(5) . . . . ?
B5 B6 C2 C1 36.3(4) . . . . ?
B7 B6 C2 C1 97.8(5) . . . . ?
B8 B6 C2 C1 137.6(5) . . . . ?
B5 B6 C2 B3 4.2(6) . . . . ?
B7 B6 C2 B3 65.6(6) . . . . ?
C1 B6 C2 B3 -32.1(4) . . . . ?
B8 B6 C2 B3 105.5(5) . . . . ?
B5 B6 C2 B8 -101.3(5) . . . . ?
B7 B6 C2 B8 -39.8(5) . . . . ?
C1 B6 C2 B8 -137.6(5) . . . . ?
B15 B16 C3 C4 134.8(6) . . . . ?
B17 B16 C3 C4 34.8(5) . . . . ?
B21 B16 C3 C4 96.6(6) . . . . ?
C4 B16 C3 B15 -134.8(6) . . . . ?
B17 B16 C3 B15 -100.0(7) . . . . ?
B21 B16 C3 B15 -38.3(6) . . . . ?
C4 B16 C3 B13 -33.1(6) . . . . ?
B15 B16 C3 B13 101.8(6) . . . . ?
B17 B16 C3 B13 1.7(8) . . . . ?
B21 B16 C3 B13 63.5(8) . . . . ?
C4 B16 C3 B14 -99.7(6) . . . . ?
B15 B16 C3 B14 35.2(6) . . . . ?
B17 B16 C3 B14 -64.9(8) . . . . ?
B21 B16 C3 B14 -3.1(8) . . . . ?
C4 B16 C3 S3 119.5(6) . . . . ?
B15 B16 C3 S3 -105.6(6) . . . . ?
B17 B16 C3 S3 154.3(5) . . . . ?
B21 B16 C3 S3 -143.9(5) . . . . ?
B14 B15 C3 C4 99.1(6) . . . . ?
B16 B15 C3 C4 -41.5(6) . . . . ?
B20 B15 C3 C4 60.1(7) . . . . ?
B21 B15 C3 C4 -3.6(8) . . . . ?
B14 B15 C3 B16 140.6(6) . . . . ?
B20 B15 C3 B16 101.6(7) . . . . ?
B21 B15 C3 B16 37.9(6) . . . . ?
B14 B15 C3 B13 33.9(6) . . . . ?
B16 B15 C3 B13 -106.7(6) . . . . ?
B20 B15 C3 B13 -5.2(8) . . . . ?
B21 B15 C3 B13 -68.8(7) . . . . ?
B16 B15 C3 B14 -140.6(6) . . . . ?
B20 B15 C3 B14 -39.0(6) . . . . ?
B21 B15 C3 B14 -102.7(7) . . . . ?
B14 B15 C3 S3 -103.9(5) . . . . ?
B16 B15 C3 S3 115.5(6) . . . . ?
B20 B15 C3 S3 -142.9(5) . . . . ?
B21 B15 C3 S3 153.4(5) . . . . ?
B14 B13 C3 C4 -133.9(5) . . . . ?
B19 B13 C3 C4 -95.3(6) . . . . ?
B18 B13 C3 C4 -34.9(5) . . . . ?
C4 B13 C3 B16 33.4(6) . . . . ?
B14 B13 C3 B16 -100.5(6) . . . . ?
B19 B13 C3 B16 -61.8(8) . . . . ?
B18 B13 C3 B16 -1.5(8) . . . . ?
C4 B13 C3 B15 101.1(6) . . . . ?
B14 B13 C3 B15 -32.8(6) . . . . ?
B19 B13 C3 B15 5.8(8) . . . . ?
B18 B13 C3 B15 66.2(7) . . . . ?
C4 B13 C3 B14 133.9(5) . . . . ?
B19 B13 C3 B14 38.6(5) . . . . ?
B18 B13 C3 B14 99.0(6) . . . . ?
C4 B13 C3 S3 -121.1(5) . . . . ?
B14 B13 C3 S3 105.0(5) . . . . ?
B19 B13 C3 S3 143.7(5) . . . . ?
B18 B13 C3 S3 -156.0(5) . . . . ?
B15 B14 C3 C4 -102.3(6) . . . . ?
B20 B14 C3 C4 -60.1(8) . . . . ?
B13 B14 C3 C4 41.3(5) . . . . ?
B19 B14 C3 C4 2.4(8) . . . . ?
B15 B14 C3 B16 -36.6(6) . . . . ?
B20 B14 C3 B16 5.7(9) . . . . ?
B13 B14 C3 B16 107.0(6) . . . . ?
B19 B14 C3 B16 68.1(8) . . . . ?
B20 B14 C3 B15 42.2(6) . . . . ?
B13 B14 C3 B15 143.6(6) . . . . ?
B19 B14 C3 B15 104.7(7) . . . . ?
B15 B14 C3 B13 -143.6(6) . . . . ?
B20 B14 C3 B13 -101.3(7) . . . . ?
B19 B14 C3 B13 -38.9(6) . . . . ?
B15 B14 C3 S3 107.9(6) . . . . ?
B20 B14 C3 S3 150.2(6) . . . . ?
B13 B14 C3 S3 -108.5(5) . . . . ?
B19 B14 C3 S3 -147.4(5) . . . . ?
B16 C3 C4 B13 -145.2(6) . . . . ?
B15 C3 C4 B13 -103.6(6) . . . . ?
B14 C3 C4 B13 -41.5(5) . . . . ?
S3 C3 C4 B13 102.8(6) . . . . ?
B15 C3 C4 B16 41.6(6) . . . . ?
B13 C3 C4 B16 145.2(6) . . . . ?
B14 C3 C4 B16 103.6(6) . . . . ?
S3 C3 C4 B16 -112.1(7) . . . . ?
B16 C3 C4 B17 -36.2(6) . . . . ?
B15 C3 C4 B17 5.4(8) . . . . ?
B13 C3 C4 B17 109.0(6) . . . . ?
B14 C3 C4 B17 67.4(7) . . . . ?
S3 C3 C4 B17 -148.3(5) . . . . ?
B16 C3 C4 B18 -104.7(6) . . . . ?
B15 C3 C4 B18 -63.1(8) . . . . ?
B13 C3 C4 B18 40.5(6) . . . . ?
B14 C3 C4 B18 -1.1(8) . . . . ?
S3 C3 C4 B18 143.2(6) . . . . ?
B14 B13 C4 C3 39.6(5) . . . . ?
B19 B13 C4 C3 101.7(6) . . . . ?
B18 B13 C4 C3 139.3(5) . . . . ?
C3 B13 C4 B16 -32.5(5) . . . . ?
B14 B13 C4 B16 7.1(7) . . . . ?
B19 B13 C4 B16 69.2(7) . . . . ?
B18 B13 C4 B16 106.8(6) . . . . ?
C3 B13 C4 B17 -100.4(6) . . . . ?
B14 B13 C4 B17 -60.8(7) . . . . ?
B19 B13 C4 B17 1.3(8) . . . . ?
B18 B13 C4 B17 38.9(6) . . . . ?
C3 B13 C4 B18 -139.3(5) . . . . ?
B14 B13 C4 B18 -99.7(6) . . . . ?
B19 B13 C4 B18 -37.6(6) . . . . ?
B15 B16 C4 C3 -39.1(5) . . . . ?
B17 B16 C4 C3 -140.8(6) . . . . ?
B21 B16 C4 C3 -102.1(6) . . . . ?
C3 B16 C4 B13 33.2(5) . . . . ?
B15 B16 C4 B13 -5.9(7) . . . . ?
B17 B16 C4 B13 -107.7(6) . . . . ?
B21 B16 C4 B13 -68.9(7) . . . . ?
C3 B16 C4 B17 140.8(6) . . . . ?
B15 B16 C4 B17 101.7(6) . . . . ?
B21 B16 C4 B17 38.8(5) . . . . ?
C3 B16 C4 B18 105.2(7) . . . . ?
B15 B16 C4 B18 66.1(7) . . . . ?
B17 B16 C4 B18 -35.7(6) . . . . ?
B21 B16 C4 B18 3.1(8) . . . . ?
B21 B17 C4 C3 -4.9(8) . . . . ?
B16 B17 C4 C3 35.7(5) . . . . ?
B22 B17 C4 C3 -69.9(7) . . . . ?
B18 B17 C4 C3 -107.5(6) . . . . ?
B21 B17 C4 B13 62.7(8) . . . . ?
B16 B17 C4 B13 103.3(7) . . . . ?
B22 B17 C4 B13 -2.3(8) . . . . ?
B18 B17 C4 B13 -39.9(6) . . . . ?
B21 B17 C4 B16 -40.7(6) . . . . ?
B22 B17 C4 B16 -105.6(7) . . . . ?
B18 B17 C4 B16 -143.2(6) . . . . ?
B21 B17 C4 B18 102.5(6) . . . . ?
B16 B17 C4 B18 143.2(6) . . . . ?
B22 B17 C4 B18 37.6(6) . . . . ?
B22 B18 C4 C3 62.7(8) . . . . ?
B19 B18 C4 C3 -0.7(8) . . . . ?
B17 B18 C4 C3 101.5(6) . . . . ?
B13 B18 C4 C3 -39.0(5) . . . . ?
B22 B18 C4 B13 101.7(7) . . . . ?
B19 B18 C4 B13 38.3(6) . . . . ?
B17 B18 C4 B13 140.5(6) . . . . ?
B22 B18 C4 B16 -3.8(8) . . . . ?
B19 B18 C4 B16 -67.2(8) . . . . ?
B17 B18 C4 B16 35.0(6) . . . . ?
B13 B18 C4 B16 -105.5(7) . . . . ?
B22 B18 C4 B17 -38.8(6) . . . . ?
B19 B18 C4 B17 -102.2(6) . . . . ?
B13 B18 C4 B17 -140.5(6) . . . . ?
C10 C5 C6 C7 1.1(9) . . . . ?
C10 C5 C6 P1 174.0(4) . . . . ?
C5 C6 C7 C8 -1.9(9) . . . . ?
P1 C6 C7 C8 -174.6(5) . . . . ?
C6 C7 C8 C9 1.8(10) . . . . ?
C7 C8 C9 C10 -0.9(10) . . . . ?
C8 C9 C10 C5 0.1(9) . . . . ?
C6 C5 C10 C9 -0.2(9) . . . . ?
C16 C11 C12 C13 -3.0(10) . . . . ?
C11 C12 C13 C14 2.0(11) . . . . ?
C12 C13 C14 C15 -1.5(11) . . . . ?
C13 C14 C15 C16 2.1(11) . . . . ?
C12 C11 C16 C15 3.5(9) . . . . ?
C12 C11 C16 P1 -179.8(5) . . . . ?
C14 C15 C16 C11 -3.0(10) . . . . ?
C14 C15 C16 P1 -179.7(5) . . . . ?
C22 C17 C18 C19 -2.0(8) . . . . ?
P1 C17 C18 C19 -179.2(4) . . . . ?
C17 C18 C19 C20 1.1(9) . . . . ?
C18 C19 C20 C21 -1.0(10) . . . . ?
C19 C20 C21 C22 1.9(10) . . . . ?
C18 C17 C22 C21 2.8(8) . . . . ?
P1 C17 C22 C21 179.9(4) . . . . ?
C20 C21 C22 C17 -2.8(9) . . . . ?
C28 C23 C24 C25 -1.4(10) . . . . ?
C23 C24 C25 C26 0.7(10) . . . . ?
C24 C25 C26 C27 -0.3(11) . . . . ?
C25 C26 C27 C28 0.6(10) . . . . ?
C24 C23 C28 C27 1.6(9) . . . . ?
C24 C23 C28 P2 -175.5(5) . . . . ?
C26 C27 C28 C23 -1.2(9) . . . . ?
C26 C27 C28 P2 175.9(5) . . . . ?
C34 C29 C30 C31 3.3(9) . . . . ?
P2 C29 C30 C31 -179.6(5) . . . . ?
C29 C30 C31 C32 -5.3(10) . . . . ?
C30 C31 C32 C33 4.7(11) . . . . ?
C31 C32 C33 C34 -2.0(10) . . . . ?
C30 C29 C34 C33 -0.6(10) . . . . ?
P2 C29 C34 C33 -177.8(5) . . . . ?
C32 C33 C34 C29 -0.1(10) . . . . ?
C40 C35 C36 C37 1.1(9) . . . . ?
P2 C35 C36 C37 -179.9(5) . . . . ?
C35 C36 C37 C38 -1.0(10) . . . . ?
C36 C37 C38 C39 0.8(10) . . . . ?
C37 C38 C39 C40 -0.7(9) . . . . ?
C38 C39 C40 C35 0.9(9) . . . . ?
C36 C35 C40 C39 -1.0(8) . . . . ?
P2 C35 C40 C39 -180.0(4) . . . . ?
B9 C2 O1 Ru1 137.9(5) . . . . ?
C1 C2 O1 Ru1 -7.6(5) . . . . ?
B3 C2 O1 Ru1 62.3(5) . . . . ?
B8 C2 O1 Ru1 -146.7(4) . . . . ?
B6 C2 O1 Ru1 -76.8(5) . . . . ?
C22 C17 P1 C16 108.8(5) . . . . ?
C18 C17 P1 C16 -74.2(5) . . . . ?
C22 C17 P1 C6 4.2(5) . . . . ?
C18 C17 P1 C6 -178.8(4) . . . . ?
C22 C17 P1 Ru1 -112.2(4) . . . . ?
C18 C17 P1 Ru1 64.9(4) . . . . ?
C11 C16 P1 C17 -163.9(5) . . . . ?
C15 C16 P1 C17 12.6(6) . . . . ?
C11 C16 P1 C6 -57.3(5) . . . . ?
C15 C16 P1 C6 119.3(5) . . . . ?
C11 C16 P1 Ru1 64.5(6) . . . . ?
C15 C16 P1 Ru1 -118.9(5) . . . . ?
C5 C6 P1 C17 -94.1(5) . . . . ?
C7 C6 P1 C17 78.6(5) . . . . ?
C5 C6 P1 C16 160.7(5) . . . . ?
C7 C6 P1 C16 -26.6(5) . . . . ?
C5 C6 P1 Ru1 26.4(5) . . . . ?
C7 C6 P1 Ru1 -160.9(4) . . . . ?
C23 C28 P2 C35 175.9(5) . . . . ?
C27 C28 P2 C35 -1.1(5) . . . . ?
C23 C28 P2 C29 68.2(5) . . . . ?
C27 C28 P2 C29 -108.8(5) . . . . ?
C23 C28 P2 Ru1 -54.1(5) . . . . ?
C27 C28 P2 Ru1 128.9(4) . . . . ?
C40 C35 P2 C28 100.1(5) . . . . ?
C36 C35 P2 C28 -78.8(5) . . . . ?
C40 C35 P2 C29 -150.9(5) . . . . ?
C36 C35 P2 C29 30.2(5) . . . . ?
C40 C35 P2 Ru1 -32.7(5) . . . . ?
C36 C35 P2 Ru1 148.3(4) . . . . ?
C34 C29 P2 C28 159.4(5) . . . . ?
C30 C29 P2 C28 -17.8(5) . . . . ?
C34 C29 P2 C35 50.5(5) . . . . ?
C30 C29 P2 C35 -126.7(5) . . . . ?
C34 C29 P2 Ru1 -71.7(5) . . . . ?
C30 C29 P2 Ru1 111.1(5) . . . . ?
C2 O1 Ru1 S3 -145.8(3) . . . . ?
C2 O1 Ru1 S2 8.2(3) . . . . ?
C2 O1 Ru1 P2 118.9(3) . . . . ?
C2 O1 Ru1 P1 -49.9(6) . . . . ?
C28 P2 Ru1 O1 155.4(2) . . . . ?
C35 P2 Ru1 O1 -79.3(2) . . . . ?
C29 P2 Ru1 O1 35.4(2) . . . . ?
C28 P2 Ru1 S3 58.3(2) . . . . ?
C35 P2 Ru1 S3 -176.43(19) . . . . ?
C29 P2 Ru1 S3 -61.8(2) . . . . ?
C28 P2 Ru1 S2 -116.5(2) . . . . ?
C35 P2 Ru1 S2 8.8(2) . . . . ?
C29 P2 Ru1 S2 123.5(2) . . . . ?
C28 P2 Ru1 P1 -27.2(2) . . . . ?
C35 P2 Ru1 P1 98.06(19) . . . . ?
C29 P2 Ru1 P1 -147.3(2) . . . . ?
C17 P1 Ru1 O1 89.6(5) . . . . ?
C16 P1 Ru1 O1 -143.5(5) . . . . ?
C6 P1 Ru1 O1 -24.5(5) . . . . ?
C17 P1 Ru1 S3 -173.14(19) . . . . ?
C16 P1 Ru1 S3 -46.2(2) . . . . ?
C6 P1 Ru1 S3 72.77(18) . . . . ?
C17 P1 Ru1 S2 31.20(18) . . . . ?
C16 P1 Ru1 S2 158.2(2) . . . . ?
C6 P1 Ru1 S2 -82.89(18) . . . . ?
C17 P1 Ru1 P2 -79.04(18) . . . . ?
C16 P1 Ru1 P2 47.9(2) . . . . ?
C6 P1 Ru1 P2 166.88(18) . . . . ?
B4 C1 S2 Ru1 -136.7(4) . . . . ?
C2 C1 S2 Ru1 4.0(4) . . . . ?
B3 C1 S2 Ru1 -63.6(4) . . . . ?
B5 C1 S2 Ru1 142.4(5) . . . . ?
B6 C1 S2 Ru1 73.4(4) . . . . ?
O1 Ru1 S2 C1 -5.9(2) . . . . ?
S3 Ru1 S2 C1 94.7(2) . . . . ?
P2 Ru1 S2 C1 -97.24(18) . . . . ?
P1 Ru1 S2 C1 162.68(18) . . . . ?
C4 C3 S3 Ru1 9.3(7) . . . . ?
B16 C3 S3 Ru1 -69.5(6) . . . . ?
B15 C3 S3 Ru1 -142.6(5) . . . . ?
B13 C3 S3 Ru1 82.3(5) . . . . ?
B14 C3 S3 Ru1 151.5(4) . . . . ?
O1 Ru1 S3 C3 19.7(3) . . . . ?
S2 Ru1 S3 C3 -78.8(3) . . . . ?
P2 Ru1 S3 C3 112.4(3) . . . . ?
P1 Ru1 S3 C3 -146.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.080

data_global

# Attachment 'jqb4.cif'


data_2100107b
#TrackingRef 'jqb4.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H190 B120 O5 P4 Ru4 S12'
_chemical_formula_weight         3634.56

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.9674(11)
_cell_length_b                   20.4772(19)
_cell_length_c                   21.3800(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.859(4)
_cell_angle_gamma                90.00
_cell_volume                     4714.7(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    4882
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      22.11

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1834
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8669
_exptl_absorpt_correction_T_max  0.8932
_exptl_absorpt_process_details   sadabs;bruker,2000

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24871
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0854
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9225
_reflns_number_gt                5796
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0536P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9225
_refine_ls_number_parameters     547
_refine_ls_number_restraints     544
_refine_ls_R_factor_all          0.0942
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_ref         0.1204
_refine_ls_wR_factor_gt          0.1132
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
O1W O 1.0000 1.0000 0.5000 0.0495(17) Uani 0.50 2 d SP . .
H1X H 0.9716 0.9739 0.4657 0.059 Uiso 0.25 1 d PR . .
H1Y H 1.0018 0.9810 0.5358 0.059 Uiso 0.25 1 d PR . .
Ru1 Ru 0.76930(3) 0.800780(15) 0.191694(17) 0.05137(11) Uani 1 1 d U . .
S2 S 0.60780(9) 0.82289(5) 0.09235(5) 0.0550(2) Uani 1 1 d U . .
S3 S 0.96190(9) 0.82159(5) 0.21311(5) 0.0558(2) Uani 1 1 d U . .
S4 S 0.73592(9) 0.77836(5) 0.28198(5) 0.0543(2) Uani 1 1 d U . .
P1 P 0.76585(9) 0.91150(5) 0.22432(5) 0.0476(2) Uani 1 1 d U . .
O1 O 0.7670(2) 0.69799(12) 0.14876(14) 0.0554(6) Uani 1 1 d U . .
C1 C 0.6585(4) 0.68627(18) 0.08708(19) 0.0527(6) Uani 1 1 d U . .
C2 C 0.5615(3) 0.74642(18) 0.04897(18) 0.0496(6) Uani 1 1 d U . .
C3 C 1.0572(3) 0.76441(19) 0.1932(2) 0.0543(6) Uani 1 1 d U . .
C4 C 1.0139(4) 0.7163(2) 0.1276(2) 0.0586(7) Uani 1 1 d U . .
H4A H 0.9152 0.7101 0.0916 0.070 Uiso 1 1 d R . .
C5 C 0.7807(4) 0.69882(19) 0.3226(2) 0.0530(6) Uani 1 1 d U . .
C6 C 0.8332(4) 0.63942(19) 0.2926(2) 0.0550(6) Uani 1 1 d U . .
H6A H 0.8394 0.6449 0.2430 0.066 Uiso 1 1 d R . .
C7 C 0.7244(3) 0.96715(17) 0.15053(18) 0.0472(6) Uani 1 1 d U . .
C8 C 0.7790(4) 0.96154(19) 0.10571(18) 0.0550(8) Uani 1 1 d U . .
H8A H 0.8362 0.9283 0.1127 0.066 Uiso 1 1 calc R . .
C9 C 0.7508(3) 1.00395(19) 0.0510(2) 0.0543(8) Uani 1 1 d U . .
H9A H 0.7913 1.0009 0.0225 0.065 Uiso 1 1 calc R . .
C10 C 0.6628(4) 1.0502(2) 0.0392(2) 0.0600(9) Uani 1 1 d U . .
H10A H 0.6429 1.0790 0.0022 0.072 Uiso 1 1 calc R . .
C11 C 0.6028(4) 1.0554(2) 0.0806(2) 0.0597(10) Uani 1 1 d U . .
H11A H 0.5409 1.0865 0.0711 0.072 Uiso 1 1 calc R . .
C12 C 0.6349(4) 1.0140(2) 0.1368(2) 0.0593(9) Uani 1 1 d U . .
H12A H 0.5954 1.0179 0.1656 0.071 Uiso 1 1 calc R . .
C13 C 0.5375(3) 0.90314(19) 0.22923(19) 0.0539(9) Uani 1 1 d U . .
H13A H 0.5168 0.8735 0.1929 0.065 Uiso 1 1 calc R . .
C14 C 0.4501(4) 0.9193(2) 0.2524(2) 0.0571(9) Uani 1 1 d U . .
H14A H 0.3709 0.9012 0.2315 0.068 Uiso 1 1 calc R . .
C15 C 0.4811(3) 0.96211(19) 0.30635(19) 0.0522(8) Uani 1 1 d U . .
H15A H 0.4228 0.9731 0.3224 0.063 Uiso 1 1 calc R . .
C16 C 0.5972(4) 0.9889(2) 0.3369(2) 0.0576(9) Uani 1 1 d U . .
H16A H 0.6175 1.0178 0.3738 0.069 Uiso 1 1 calc R . .
C17 C 0.6845(4) 0.9735(2) 0.3135(2) 0.0582(9) Uani 1 1 d U . .
H17A H 0.7632 0.9922 0.3342 0.070 Uiso 1 1 calc R . .
C18 C 0.6544(3) 0.92994(18) 0.25871(18) 0.0498(7) Uani 1 1 d U . .
C19 C 0.9829(4) 0.9859(2) 0.2801(2) 0.0573(10) Uani 1 1 d U . .
H19A H 0.9519 1.0073 0.2375 0.069 Uiso 1 1 calc R . .
C20 C 1.0989(4) 1.0029(2) 0.3323(2) 0.0587(9) Uani 1 1 d U . .
H20A H 1.1460 1.0349 0.3241 0.070 Uiso 1 1 calc R . .
C21 C 1.1432(4) 0.9730(2) 0.3949(2) 0.0623(10) Uani 1 1 d U . .
H21A H 1.2203 0.9848 0.4298 0.075 Uiso 1 1 calc R . .
C22 C 1.0743(4) 0.9251(2) 0.4070(2) 0.0668(12) Uani 1 1 d U . .
H22A H 1.1045 0.9052 0.4504 0.080 Uiso 1 1 calc R . .
C23 C 0.9608(4) 0.9065(2) 0.3553(2) 0.0596(10) Uani 1 1 d U . .
H23A H 0.9157 0.8732 0.3632 0.072 Uiso 1 1 calc R . .
C24 C 0.9146(3) 0.93778(17) 0.29144(18) 0.0455(7) Uani 1 1 d U . .
B3 B 0.6497(4) 0.7202(2) 0.0104(2) 0.0522(6) Uani 1 1 d U . .
H3 H 0.7238 0.7488 0.0060 0.063 Uiso 1 1 d R . .
B4 B 0.6656(4) 0.6370(2) 0.0268(2) 0.0564(7) Uani 1 1 d U . .
H4 H 0.7507 0.6109 0.0338 0.068 Uiso 1 1 d R . .
B5 B 0.5768(4) 0.6158(2) 0.0739(2) 0.0556(7) Uani 1 1 d U . .
H5 H 0.6018 0.5752 0.1112 0.067 Uiso 1 1 d R . .
B6 B 0.5148(4) 0.6867(2) 0.0891(2) 0.0521(6) Uani 1 1 d U . .
H6 H 0.5023 0.6937 0.1366 0.063 Uiso 1 1 d R . .
B7 B 0.4088(4) 0.7213(2) 0.0092(2) 0.0539(7) Uani 1 1 d U . .
H7 H 0.3275 0.7499 0.0041 0.065 Uiso 1 1 d R . .
B8 B 0.4957(4) 0.7408(2) -0.0389(2) 0.0522(7) Uani 1 1 d U . .
H8 H 0.4688 0.7828 -0.0746 0.063 Uiso 1 1 d R . .
B9 B 0.5561(4) 0.6687(2) -0.0559(2) 0.0556(7) Uani 1 1 d U . .
H9 H 0.5659 0.6621 -0.1044 0.067 Uiso 1 1 d R . .
B10 B 0.5184(5) 0.6032(2) -0.0141(2) 0.0590(8) Uani 1 1 d U . .
H10 H 0.5094 0.5531 -0.0344 0.071 Uiso 1 1 d R . .
B11 B 0.4215(4) 0.6354(2) 0.0233(2) 0.0546(7) Uani 1 1 d U . .
H11 H 0.3449 0.6076 0.0258 0.066 Uiso 1 1 d R . .
B12 B 0.4103(4) 0.6659(2) -0.0565(2) 0.0584(8) Uani 1 1 d U . .
H12 H 0.3268 0.6572 -0.1053 0.070 Uiso 1 1 d R . .
B13 B 0.6879(4) 0.6322(2) 0.2883(2) 0.0562(7) Uani 1 1 d U . .
H13 H 0.6006 0.6316 0.2403 0.067 Uiso 1 1 d R . .
B14 B 0.7022(4) 0.6714(2) 0.3661(2) 0.0567(7) Uani 1 1 d U . .
H14 H 0.6226 0.6961 0.3686 0.068 Uiso 1 1 d R . .
B15 B 0.8531(4) 0.7006(2) 0.4105(2) 0.0561(7) Uani 1 1 d U . .
H15 H 0.8701 0.7450 0.4423 0.067 Uiso 1 1 d R . .
B16 B 0.9381(4) 0.6845(2) 0.3623(3) 0.0575(7) Uani 1 1 d U . .
H16 H 1.0098 0.7181 0.3624 0.069 Uiso 1 1 d R . .
B17 B 0.9450(5) 0.5975(2) 0.3563(2) 0.0579(7) Uani 1 1 d U . .
H17 H 1.0222 0.5736 0.3504 0.069 Uiso 1 1 d R . .
B18 B 0.7947(4) 0.5651(2) 0.3136(2) 0.0594(8) Uani 1 1 d U . .
H18 H 0.7756 0.5206 0.2817 0.071 Uiso 1 1 d R . .
B19 B 0.7136(4) 0.5834(2) 0.3619(2) 0.0572(8) Uani 1 1 d U . .
H19 H 0.6415 0.5504 0.3622 0.069 Uiso 1 1 d R . .
B20 B 0.8171(4) 0.6283(2) 0.4381(2) 0.0569(7) Uani 1 1 d U . .
H20 H 0.8105 0.6248 0.4877 0.068 Uiso 1 1 d R . .
B21 B 0.9618(4) 0.6364(2) 0.4336(2) 0.0584(8) Uani 1 1 d U . .
H21 H 1.0516 0.6374 0.4800 0.070 Uiso 1 1 d R . .
B22 B 0.8742(4) 0.5631(2) 0.4043(2) 0.0595(8) Uani 1 1 d U . .
H22 H 0.9073 0.5171 0.4330 0.071 Uiso 1 1 d R . .
B23 B 1.0629(5) 0.6842(2) 0.2046(3) 0.0601(7) Uani 1 1 d U . .
H23 H 1.0004 0.6590 0.2220 0.072 Uiso 1 1 d R . .
B24 B 1.1718(4) 0.7272(3) 0.2613(2) 0.0592(7) Uani 1 1 d U . .
H24 H 1.1825 0.7312 0.3149 0.071 Uiso 1 1 d R . .
B25 B 1.2002(4) 0.7888(2) 0.2217(3) 0.0595(7) Uani 1 1 d U . .
H25 H 1.2337 0.8344 0.2511 0.071 Uiso 1 1 d R . .
B26 B 1.1006(5) 0.7885(2) 0.1323(3) 0.0591(7) Uani 1 1 d U . .
H26 H 1.0659 0.8325 0.1000 0.071 Uiso 1 1 d R . .
B27 B 1.1307(4) 0.7188(2) 0.0967(2) 0.0548(7) Uani 1 1 d U . .
H27 H 1.1132 0.7192 0.0417 0.066 Uiso 1 1 d R . .
B28 B 1.1054(5) 0.6508(2) 0.1446(3) 0.0607(8) Uani 1 1 d U . .
H28 H 1.0718 0.6027 0.1209 0.073 Uiso 1 1 d R . .
B29 B 1.2096(5) 0.6577(2) 0.2264(2) 0.0604(8) Uani 1 1 d U . .
H29 H 1.2498 0.6137 0.2577 0.073 Uiso 1 1 d R . .
B30 B 1.2925(4) 0.7212(3) 0.2372(2) 0.0613(8) Uani 1 1 d U . .
H30 H 1.3890 0.7197 0.2776 0.074 Uiso 1 1 d R . .
B31 B 1.2568(4) 0.7593(2) 0.1629(3) 0.0589(7) Uani 1 1 d U . .
H31 H 1.3290 0.7853 0.1540 0.071 Uiso 1 1 d R . .
B32 B 1.2483(4) 0.6777(2) 0.1587(2) 0.0530(7) Uani 1 1 d U . .
H32 H 1.3094 0.6494 0.1425 0.064 Uiso 1 1 d R . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1W H1X 0.8500 . ?
O1W H1Y 0.8499 . ?
Ru1 S4 2.1838(12) . ?
Ru1 S3 2.1871(11) . ?
Ru1 S2 2.2070(10) . ?
Ru1 O1 2.292(3) . ?
Ru1 P1 2.3778(10) . ?
S2 C2 1.781(4) . ?
S3 C3 1.810(4) . ?
S4 C5 1.813(4) . ?
P1 C24 1.813(3) . ?
P1 C18 1.821(4) . ?
P1 C7 1.830(4) . ?
O1 C1 1.410(4) . ?
C1 C2 1.644(5) . ?
C1 B4 1.669(6) . ?
C1 B5 1.696(6) . ?
C1 B6 1.739(6) . ?
C1 B3 1.741(6) . ?
C2 B3 1.686(6) . ?
C2 B8 1.695(6) . ?
C2 B6 1.721(6) . ?
C2 B7 1.724(6) . ?
C3 C4 1.603(5) . ?
C3 B25 1.625(6) . ?
C3 B23 1.657(6) . ?
C3 B26 1.674(7) . ?
C3 B24 1.685(6) . ?
C4 B23 1.625(6) . ?
C4 B28 1.669(6) . ?
C4 B26 1.783(6) . ?
C4 B27 1.790(7) . ?
C4 H4A 1.1000 . ?
C5 C6 1.624(6) . ?
C5 B14 1.681(6) . ?
C5 B15 1.692(6) . ?
C5 B13 1.710(6) . ?
C5 B16 1.720(6) . ?
C6 B17 1.671(6) . ?
C6 B18 1.707(6) . ?
C6 B13 1.708(6) . ?
C6 B16 1.737(6) . ?
C6 H6A 1.1000 . ?
C7 C12 1.370(5) . ?
C7 C8 1.380(5) . ?
C8 C9 1.376(5) . ?
C8 H8A 0.9300 . ?
C9 C10 1.356(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.366(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.381(5) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C18 1.374(5) . ?
C13 C14 1.378(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.366(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.366(5) . ?
C15 H15A 0.9300 . ?
C16 C17 1.378(5) . ?
C16 H16A 0.9300 . ?
C17 C18 1.389(5) . ?
C17 H17A 0.9300 . ?
C19 C24 1.368(5) . ?
C19 C20 1.394(5) . ?
C19 H19A 0.9300 . ?
C20 C21 1.352(5) . ?
C20 H20A 0.9300 . ?
C21 C22 1.377(6) . ?
C21 H21A 0.9300 . ?
C22 C23 1.379(5) . ?
C22 H22A 0.9300 . ?
C23 C24 1.386(5) . ?
C23 H23A 0.9300 . ?
B3 B8 1.730(6) . ?
B3 B9 1.730(6) . ?
B3 B4 1.733(7) . ?
B3 H3 1.1001 . ?
B4 B10 1.733(7) . ?
B4 B9 1.801(6) . ?
B4 B5 1.809(7) . ?
B4 H4 1.1001 . ?
B5 B10 1.717(6) . ?
B5 B6 1.723(7) . ?
B5 B11 1.741(6) . ?
B5 H5 1.1000 . ?
B6 B11 1.720(6) . ?
B6 B7 1.771(6) . ?
B6 H6 1.0998 . ?
B7 B11 1.779(7) . ?
B7 B8 1.797(7) . ?
B7 B12 1.810(7) . ?
B7 H7 1.0999 . ?
B8 B9 1.751(7) . ?
B8 B12 1.789(6) . ?
B8 H8 1.1001 . ?
B9 B12 1.741(7) . ?
B9 B10 1.776(7) . ?
B9 H9 1.1002 . ?
B10 B12 1.767(7) . ?
B10 B11 1.797(7) . ?
B10 H10 1.1000 . ?
B11 B12 1.765(7) . ?
B11 H11 1.1000 . ?
B12 H12 1.1000 . ?
B13 B19 1.772(6) . ?
B13 B14 1.786(7) . ?
B13 B18 1.792(7) . ?
B13 H13 1.1000 . ?
B14 B15 1.738(7) . ?
B14 B20 1.787(6) . ?
B14 B19 1.813(7) . ?
B14 H14 1.1000 . ?
B15 B20 1.716(7) . ?
B15 B21 1.763(6) . ?
B15 B16 1.766(7) . ?
B15 H15 1.0999 . ?
B16 B21 1.730(7) . ?
B16 B17 1.791(7) . ?
B16 H16 1.1001 . ?
B17 B22 1.739(7) . ?
B17 B18 1.754(7) . ?
B17 B21 1.765(7) . ?
B17 H17 1.1000 . ?
B18 B19 1.738(7) . ?
B18 B22 1.748(7) . ?
B18 H18 1.1000 . ?
B19 B22 1.780(7) . ?
B19 B20 1.809(7) . ?
B19 H19 1.1001 . ?
B20 B21 1.784(7) . ?
B20 B22 1.790(7) . ?
B20 H20 1.1000 . ?
B21 B22 1.780(7) . ?
B21 H21 1.1001 . ?
B22 H22 1.1000 . ?
B23 B24 1.602(7) . ?
B23 B29 1.696(7) . ?
B23 B28 1.714(7) . ?
B23 H23 1.1000 . ?
B24 B25 1.636(7) . ?
B24 B30 1.736(7) . ?
B24 B29 1.754(7) . ?
B24 H24 1.1000 . ?
B25 B30 1.710(7) . ?
B25 B26 1.757(7) . ?
B25 B31 1.773(7) . ?
B25 H25 1.0999 . ?
B26 B27 1.727(7) . ?
B26 B31 1.793(7) . ?
B26 H26 1.1000 . ?
B27 B32 1.679(6) . ?
B27 B31 1.762(6) . ?
B27 B28 1.832(7) . ?
B27 H27 1.1001 . ?
B28 B29 1.652(7) . ?
B28 B32 1.695(7) . ?
B28 H28 1.1001 . ?
B29 B30 1.590(8) . ?
B29 B32 1.751(7) . ?
B29 H29 1.1001 . ?
B30 B31 1.649(7) . ?
B30 B32 1.765(7) . ?
B30 H30 1.1000 . ?
B31 B32 1.673(7) . ?
B31 H31 1.1000 . ?
B32 H32 1.0999 . ?

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
H1X O1W H1Y 109.5 . . ?
S4 Ru1 S3 116.00(4) . . ?
S4 Ru1 S2 118.21(4) . . ?
S3 Ru1 S2 124.20(4) . . ?
S4 Ru1 O1 100.72(8) . . ?
S3 Ru1 O1 95.18(7) . . ?
S2 Ru1 O1 87.16(7) . . ?
S4 Ru1 P1 84.71(4) . . ?
S3 Ru1 P1 84.51(4) . . ?
S2 Ru1 P1 88.09(4) . . ?
O1 Ru1 P1 174.03(7) . . ?
C2 S2 Ru1 105.29(12) . . ?
C3 S3 Ru1 122.63(14) . . ?
C5 S4 Ru1 118.82(14) . . ?
C24 P1 C18 104.93(17) . . ?
C24 P1 C7 107.51(16) . . ?
C18 P1 C7 104.36(18) . . ?
C24 P1 Ru1 112.24(12) . . ?
C18 P1 Ru1 115.19(12) . . ?
C7 P1 Ru1 111.94(12) . . ?
C1 O1 Ru1 112.1(2) . . ?
O1 C1 C2 119.9(3) . . ?
O1 C1 B4 119.3(3) . . ?
C2 C1 B4 109.4(3) . . ?
O1 C1 B5 121.9(3) . . ?
C2 C1 B5 108.9(3) . . ?
B4 C1 B5 65.0(3) . . ?
O1 C1 B6 119.6(3) . . ?
C2 C1 B6 61.1(2) . . ?
B4 C1 B6 114.0(3) . . ?
B5 C1 B6 60.2(3) . . ?
O1 C1 B3 117.7(3) . . ?
C2 C1 B3 59.7(2) . . ?
B4 C1 B3 61.0(3) . . ?
B5 C1 B3 112.9(3) . . ?
B6 C1 B3 111.5(3) . . ?
C1 C2 B3 63.0(3) . . ?
C1 C2 B8 112.6(3) . . ?
B3 C2 B8 61.6(3) . . ?
C1 C2 B6 62.2(2) . . ?
B3 C2 B6 115.2(3) . . ?
B8 C2 B6 114.1(3) . . ?
C1 C2 B7 112.8(3) . . ?
B3 C2 B7 114.8(3) . . ?
B8 C2 B7 63.4(3) . . ?
B6 C2 B7 61.9(2) . . ?
C1 C2 S2 114.1(2) . . ?
B3 C2 S2 114.6(3) . . ?
B8 C2 S2 121.7(3) . . ?
B6 C2 S2 117.4(3) . . ?
B7 C2 S2 122.8(3) . . ?
C4 C3 B25 113.7(3) . . ?
C4 C3 B23 59.8(3) . . ?
B25 C3 B23 106.3(3) . . ?
C4 C3 B26 65.9(3) . . ?
B25 C3 B26 64.3(3) . . ?
B23 C3 B26 113.5(3) . . ?
C4 C3 B24 108.0(3) . . ?
B25 C3 B24 59.2(3) . . ?
B23 C3 B24 57.3(3) . . ?
B26 C3 B24 113.2(3) . . ?
C4 C3 S3 127.3(3) . . ?
B25 C3 S3 112.5(3) . . ?
B23 C3 S3 126.7(3) . . ?
B26 C3 S3 115.7(3) . . ?
B24 C3 S3 116.7(3) . . ?
C3 C4 B23 61.8(3) . . ?
C3 C4 B28 111.8(3) . . ?
B23 C4 B28 62.7(3) . . ?
C3 C4 B26 59.0(3) . . ?
B23 C4 B26 109.5(3) . . ?
B28 C4 B26 110.1(3) . . ?
C3 C4 B27 107.4(3) . . ?
B23 C4 B27 113.0(3) . . ?
B28 C4 B27 63.9(3) . . ?
B26 C4 B27 57.8(3) . . ?
C3 C4 H4A 121.5 . . ?
B23 C4 H4A 117.7 . . ?
B28 C4 H4A 117.5 . . ?
B26 C4 H4A 123.8 . . ?
B27 C4 H4A 121.2 . . ?
C6 C5 B14 112.0(3) . . ?
C6 C5 B15 110.9(3) . . ?
B14 C5 B15 62.0(3) . . ?
C6 C5 B13 61.6(3) . . ?
B14 C5 B13 63.6(3) . . ?
B15 C5 B13 114.5(3) . . ?
C6 C5 B16 62.5(3) . . ?
B14 C5 B16 115.2(3) . . ?
B15 C5 B16 62.3(3) . . ?
B13 C5 B16 116.2(3) . . ?
C6 C5 S4 124.6(3) . . ?
B14 C5 S4 116.4(3) . . ?
B15 C5 S4 114.4(3) . . ?
B13 C5 S4 120.7(3) . . ?
B16 C5 S4 114.9(3) . . ?
C5 C6 B17 111.9(3) . . ?
C5 C6 B18 111.6(3) . . ?
B17 C6 B18 62.5(3) . . ?
C5 C6 B13 61.7(3) . . ?
B17 C6 B13 115.7(3) . . ?
B18 C6 B13 63.3(3) . . ?
C5 C6 B16 61.5(2) . . ?
B17 C6 B16 63.3(3) . . ?
B18 C6 B16 115.1(3) . . ?
B13 C6 B16 115.4(3) . . ?
C5 C6 H6A 120.3 . . ?
B17 C6 H6A 118.1 . . ?
B18 C6 H6A 119.0 . . ?
B13 C6 H6A 116.9 . . ?
B16 C6 H6A 116.5 . . ?
C12 C7 C8 118.2(4) . . ?
C12 C7 P1 120.8(3) . . ?
C8 C7 P1 120.9(3) . . ?
C9 C8 C7 121.5(4) . . ?
C9 C8 H8A 119.2 . . ?
C7 C8 H8A 119.2 . . ?
C10 C9 C8 118.8(4) . . ?
C10 C9 H9A 120.6 . . ?
C8 C9 H9A 120.6 . . ?
C9 C10 C11 121.3(4) . . ?
C9 C10 H10A 119.4 . . ?
C11 C10 H10A 119.4 . . ?
C10 C11 C12 119.4(4) . . ?
C10 C11 H11A 120.3 . . ?
C12 C11 H11A 120.3 . . ?
C7 C12 C11 120.7(4) . . ?
C7 C12 H12A 119.6 . . ?
C11 C12 H12A 119.6 . . ?
C18 C13 C14 121.4(3) . . ?
C18 C13 H13A 119.3 . . ?
C14 C13 H13A 119.3 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14A 120.4 . . ?
C13 C14 H14A 120.4 . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15A 119.8 . . ?
C16 C15 H15A 119.8 . . ?
C15 C16 C17 120.5(4) . . ?
C15 C16 H16A 119.7 . . ?
C17 C16 H16A 119.7 . . ?
C16 C17 C18 119.7(4) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C13 C18 C17 118.7(4) . . ?
C13 C18 P1 120.7(3) . . ?
C17 C18 P1 120.5(3) . . ?
C24 C19 C20 120.1(4) . . ?
C24 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C21 C20 C19 120.2(4) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C20 C21 C22 120.0(4) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C21 C22 C23 120.4(4) . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 H22A 119.8 . . ?
C22 C23 C24 119.6(4) . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 H23A 120.2 . . ?
C19 C24 C23 119.6(3) . . ?
C19 C24 P1 122.0(3) . . ?
C23 C24 P1 118.4(3) . . ?
C2 B3 B8 59.5(3) . . ?
C2 B3 B9 106.0(3) . . ?
B8 B3 B9 60.8(3) . . ?
C2 B3 B4 104.6(3) . . ?
B8 B3 B4 110.9(3) . . ?
B9 B3 B4 62.7(3) . . ?
C2 B3 C1 57.3(2) . . ?
B8 B3 C1 106.3(3) . . ?
B9 B3 C1 106.3(3) . . ?
B4 B3 C1 57.4(2) . . ?
C2 B3 H3 124.9 . . ?
B8 B3 H3 120.2 . . ?
B9 B3 H3 120.8 . . ?
B4 B3 H3 121.2 . . ?
C1 B3 H3 125.0 . . ?
C1 B4 B10 104.3(3) . . ?
C1 B4 B3 61.6(3) . . ?
B10 B4 B3 107.0(3) . . ?
C1 B4 B9 106.3(3) . . ?
B10 B4 B9 60.3(3) . . ?
B3 B4 B9 58.6(2) . . ?
C1 B4 B5 58.2(3) . . ?
B10 B4 B5 58.0(3) . . ?
B3 B4 B5 108.0(3) . . ?
B9 B4 B5 106.3(3) . . ?
C1 B4 H4 122.9 . . ?
B10 B4 H4 123.5 . . ?
B3 B4 H4 121.2 . . ?
B9 B4 H4 122.9 . . ?
B5 B4 H4 122.7 . . ?
C1 B5 B10 103.9(3) . . ?
C1 B5 B6 61.1(3) . . ?
B10 B5 B6 109.3(3) . . ?
C1 B5 B11 106.8(3) . . ?
B10 B5 B11 62.6(3) . . ?
B6 B5 B11 59.5(3) . . ?
C1 B5 B4 56.8(3) . . ?
B10 B5 B4 58.8(3) . . ?
B6 B5 B4 108.0(3) . . ?
B11 B5 B4 109.0(3) . . ?
C1 B5 H5 124.6 . . ?
B10 B5 H5 122.2 . . ?
B6 B5 H5 120.3 . . ?
B11 B5 H5 120.3 . . ?
B4 B5 H5 123.1 . . ?
C2 B6 B11 105.2(3) . . ?
C2 B6 B5 104.1(3) . . ?
B11 B6 B5 60.7(3) . . ?
C2 B6 C1 56.7(2) . . ?
B11 B6 C1 105.8(3) . . ?
B5 B6 C1 58.6(3) . . ?
C2 B6 B7 59.1(2) . . ?
B11 B6 B7 61.2(3) . . ?
B5 B6 B7 109.9(3) . . ?
C1 B6 B7 106.1(3) . . ?
C2 B6 H6 125.0 . . ?
B11 B6 H6 122.3 . . ?
B5 B6 H6 121.8 . . ?
C1 B6 H6 123.9 . . ?
B7 B6 H6 120.7 . . ?
C2 B7 B6 59.0(2) . . ?
C2 B7 B11 102.6(3) . . ?
B6 B7 B11 58.0(2) . . ?
C2 B7 B8 57.5(2) . . ?
B6 B7 B8 106.9(3) . . ?
B11 B7 B8 106.8(3) . . ?
C2 B7 B12 101.7(3) . . ?
B6 B7 B12 104.6(3) . . ?
B11 B7 B12 58.9(3) . . ?
B8 B7 B12 59.5(3) . . ?
C2 B7 H7 126.3 . . ?
B6 B7 H7 122.6 . . ?
B11 B7 H7 123.3 . . ?
B8 B7 H7 122.2 . . ?
B12 B7 H7 124.3 . . ?
C2 B8 B3 59.0(2) . . ?
C2 B8 B9 104.7(3) . . ?
B3 B8 B9 59.6(3) . . ?
C2 B8 B12 103.8(3) . . ?
B3 B8 B12 106.2(3) . . ?
B9 B8 B12 58.9(3) . . ?
C2 B8 B7 59.1(2) . . ?
B3 B8 B7 109.0(3) . . ?
B9 B8 B7 109.0(3) . . ?
B12 B8 B7 60.7(3) . . ?
C2 B8 H8 124.7 . . ?
B3 B8 H8 121.6 . . ?
B9 B8 H8 122.5 . . ?
B12 B8 H8 123.8 . . ?
B7 B8 H8 120.2 . . ?
B3 B9 B12 108.3(4) . . ?
B3 B9 B8 59.6(3) . . ?
B12 B9 B8 61.6(3) . . ?
B3 B9 B10 105.3(3) . . ?
B12 B9 B10 60.3(3) . . ?
B8 B9 B10 108.2(4) . . ?
B3 B9 B4 58.7(3) . . ?
B12 B9 B4 107.0(3) . . ?
B8 B9 B4 106.8(3) . . ?
B10 B9 B4 58.0(3) . . ?
B3 B9 H9 123.4 . . ?
B12 B9 H9 120.5 . . ?
B8 B9 H9 121.6 . . ?
B10 B9 H9 122.4 . . ?
B4 B9 H9 123.3 . . ?
B5 B10 B4 63.2(3) . . ?
B5 B10 B12 108.0(4) . . ?
B4 B10 B12 108.9(3) . . ?
B5 B10 B9 111.5(3) . . ?
B4 B10 B9 61.7(3) . . ?
B12 B10 B9 58.9(3) . . ?
B5 B10 B11 59.4(3) . . ?
B4 B10 B11 109.9(3) . . ?
B12 B10 B11 59.4(3) . . ?
B9 B10 B11 107.6(3) . . ?
B5 B10 H10 119.7 . . ?
B4 B10 H10 118.3 . . ?
B12 B10 H10 123.4 . . ?
B9 B10 H10 120.6 . . ?
B11 B10 H10 123.1 . . ?
B6 B11 B5 59.7(3) . . ?
B6 B11 B12 108.8(3) . . ?
B5 B11 B12 107.0(4) . . ?
B6 B11 B7 60.8(3) . . ?
B5 B11 B7 108.8(3) . . ?
B12 B11 B7 61.4(3) . . ?
B6 B11 B10 105.8(3) . . ?
B5 B11 B10 58.1(3) . . ?
B12 B11 B10 59.5(3) . . ?
B7 B11 B10 108.1(3) . . ?
B6 B11 H11 122.2 . . ?
B5 B11 H11 122.4 . . ?
B12 B11 H11 121.1 . . ?
B7 B11 H11 120.6 . . ?
B10 B11 H11 123.0 . . ?
B9 B12 B10 60.8(3) . . ?
B9 B12 B11 110.6(3) . . ?
B10 B12 B11 61.1(3) . . ?
B9 B12 B8 59.4(3) . . ?
B10 B12 B8 107.0(3) . . ?
B11 B12 B8 107.7(3) . . ?
B9 B12 B7 108.8(3) . . ?
B10 B12 B7 108.0(3) . . ?
B11 B12 B7 59.7(3) . . ?
B8 B12 B7 59.9(3) . . ?
B9 B12 H12 120.3 . . ?
B10 B12 H12 121.8 . . ?
B11 B12 H12 120.9 . . ?
B8 B12 H12 122.5 . . ?
B7 B12 H12 121.8 . . ?
C5 B13 C6 56.7(2) . . ?
C5 B13 B19 103.9(3) . . ?
C6 B13 B19 102.9(3) . . ?
C5 B13 B14 57.4(3) . . ?
C6 B13 B14 103.3(3) . . ?
B19 B13 B14 61.2(3) . . ?
C5 B13 B18 103.8(3) . . ?
C6 B13 B18 58.3(3) . . ?
B19 B13 B18 58.4(3) . . ?
B14 B13 B18 107.4(3) . . ?
C5 B13 H13 125.6 . . ?
C6 B13 H13 125.5 . . ?
B19 B13 H13 123.4 . . ?
B14 B13 H13 122.7 . . ?
B18 B13 H13 122.4 . . ?
C5 B14 B15 59.3(3) . . ?
C5 B14 B13 59.0(2) . . ?
B15 B14 B13 108.5(3) . . ?
C5 B14 B20 103.6(3) . . ?
B15 B14 B20 58.2(3) . . ?
B13 B14 B20 107.7(3) . . ?
C5 B14 B19 103.4(3) . . ?
B15 B14 B19 106.6(3) . . ?
B13 B14 B19 59.0(3) . . ?
B20 B14 B19 60.4(3) . . ?
C5 B14 H14 125.3 . . ?
B15 B14 H14 122.1 . . ?
B13 B14 H14 121.2 . . ?
B20 B14 H14 122.9 . . ?
B19 B14 H14 123.0 . . ?
C5 B15 B20 106.2(3) . . ?
C5 B15 B14 58.7(3) . . ?
B20 B15 B14 62.3(3) . . ?
C5 B15 B21 104.6(3) . . ?
B20 B15 B21 61.7(3) . . ?
B14 B15 B21 111.1(4) . . ?
C5 B15 B16 59.6(3) . . ?
B20 B15 B16 109.5(4) . . ?
B14 B15 B16 110.0(3) . . ?
B21 B15 B16 58.7(3) . . ?
C5 B15 H15 124.9 . . ?
B20 B15 H15 120.4 . . ?
B14 B15 H15 119.3 . . ?
B21 B15 H15 121.9 . . ?
B16 B15 H15 121.1 . . ?
C5 B16 B21 104.8(3) . . ?
C5 B16 C6 56.0(2) . . ?
B21 B16 C6 103.5(3) . . ?
C5 B16 B15 58.1(3) . . ?
B21 B16 B15 60.6(3) . . ?
C6 B16 B15 102.5(3) . . ?
C5 B16 B17 102.1(3) . . ?
B21 B16 B17 60.1(3) . . ?
C6 B16 B17 56.5(2) . . ?
B15 B16 B17 106.6(4) . . ?
C5 B16 H16 125.4 . . ?
B21 B16 H16 121.8 . . ?
C6 B16 H16 127.3 . . ?
B15 B16 H16 122.0 . . ?
B17 B16 H16 124.2 . . ?
C6 B17 B22 105.4(3) . . ?
C6 B17 B18 59.7(3) . . ?
B22 B17 B18 60.0(3) . . ?
C6 B17 B21 104.8(3) . . ?
B22 B17 B21 61.1(3) . . ?
B18 B17 B21 109.2(4) . . ?
C6 B17 B16 60.1(3) . . ?
B22 B17 B16 108.1(4) . . ?
B18 B17 B16 110.2(3) . . ?
B21 B17 B16 58.2(3) . . ?
C6 B17 H17 123.3 . . ?
B22 B17 H17 122.5 . . ?
B18 B17 H17 119.6 . . ?
B21 B17 H17 123.3 . . ?
B16 B17 H17 121.2 . . ?
C6 B18 B19 104.4(3) . . ?
C6 B18 B22 103.5(3) . . ?
B19 B18 B22 61.4(3) . . ?
C6 B18 B17 57.7(3) . . ?
B19 B18 B17 108.7(3) . . ?
B22 B18 B17 59.6(3) . . ?
C6 B18 B13 58.4(3) . . ?
B19 B18 B13 60.2(3) . . ?
B22 B18 B13 108.9(3) . . ?
B17 B18 B13 107.6(3) . . ?
C6 B18 H18 125.6 . . ?
B19 B18 H18 121.9 . . ?
B22 B18 H18 122.3 . . ?
B17 B18 H18 121.6 . . ?
B13 B18 H18 121.3 . . ?
B18 B19 B13 61.4(3) . . ?
B18 B19 B22 59.6(3) . . ?
B13 B19 B22 108.4(3) . . ?
B18 B19 B20 107.7(3) . . ?
B13 B19 B20 107.4(3) . . ?
B22 B19 B20 59.8(3) . . ?
B18 B19 B14 108.6(4) . . ?
B13 B19 B14 59.8(3) . . ?
B22 B19 B14 107.2(3) . . ?
B20 B19 B14 59.1(3) . . ?
B18 B19 H19 121.0 . . ?
B13 B19 H19 121.3 . . ?
B22 B19 H19 121.9 . . ?
B20 B19 H19 122.5 . . ?
B14 B19 H19 122.3 . . ?
B15 B20 B21 60.5(3) . . ?
B15 B20 B14 59.5(3) . . ?
B21 B20 B14 108.0(3) . . ?
B15 B20 B22 107.9(4) . . ?
B21 B20 B22 59.7(3) . . ?
B14 B20 B22 107.9(3) . . ?
B15 B20 B19 107.7(3) . . ?
B21 B20 B19 107.3(3) . . ?
B14 B20 B19 60.5(3) . . ?
B22 B20 B19 59.3(3) . . ?
B15 B20 H20 121.5 . . ?
B21 B20 H20 122.6 . . ?
B14 B20 H20 120.7 . . ?
B22 B20 H20 122.8 . . ?
B19 B20 H20 121.8 . . ?
B16 B21 B15 60.7(3) . . ?
B16 B21 B17 61.6(3) . . ?
B15 B21 B17 107.8(3) . . ?
B16 B21 B22 109.0(3) . . ?
B15 B21 B22 106.3(3) . . ?
B17 B21 B22 58.8(3) . . ?
B16 B21 B20 108.0(3) . . ?
B15 B21 B20 57.9(3) . . ?
B17 B21 B20 107.0(3) . . ?
B22 B21 B20 60.3(3) . . ?
B16 B21 H21 120.3 . . ?
B15 B21 H21 123.3 . . ?
B17 B21 H21 121.4 . . ?
B22 B21 H21 121.8 . . ?
B20 B21 H21 122.8 . . ?
B17 B22 B18 60.4(3) . . ?
B17 B22 B19 107.5(3) . . ?
B18 B22 B19 59.0(3) . . ?
B17 B22 B21 60.2(3) . . ?
B18 B22 B21 108.8(3) . . ?
B19 B22 B21 108.7(3) . . ?
B17 B22 B20 107.8(4) . . ?
B18 B22 B20 108.1(3) . . ?
B19 B22 B20 60.9(3) . . ?
B21 B22 B20 59.9(3) . . ?
B17 B22 H22 121.8 . . ?
B18 B22 H22 121.9 . . ?
B19 B22 H22 122.0 . . ?
B21 B22 H22 120.8 . . ?
B20 B22 H22 121.4 . . ?
B24 B23 C4 111.1(4) . . ?
B24 B23 C3 62.3(3) . . ?
C4 B23 C3 58.5(3) . . ?
B24 B23 B29 64.2(3) . . ?
C4 B23 B29 106.4(4) . . ?
C3 B23 B29 109.2(4) . . ?
B24 B23 B28 112.1(4) . . ?
C4 B23 B28 59.9(3) . . ?
C3 B23 B28 107.1(4) . . ?
B29 B23 B28 58.0(3) . . ?
B24 B23 H23 116.8 . . ?
C4 B23 H23 122.3 . . ?
C3 B23 H23 121.6 . . ?
B29 B23 H23 122.1 . . ?
B28 B23 H23 122.3 . . ?
B23 B24 B25 108.4(4) . . ?
B23 B24 C3 60.5(3) . . ?
B25 B24 C3 58.6(3) . . ?
B23 B24 B30 104.1(4) . . ?
B25 B24 B30 60.9(3) . . ?
C3 B24 B30 104.2(3) . . ?
B23 B24 B29 60.5(3) . . ?
B25 B24 B29 104.8(4) . . ?
C3 B24 B29 105.3(3) . . ?
B30 B24 B29 54.2(3) . . ?
B23 B24 H24 121.1 . . ?
B25 B24 H24 121.8 . . ?
C3 B24 H24 123.2 . . ?
B30 B24 H24 125.5 . . ?
B29 B24 H24 124.7 . . ?
C3 B25 B24 62.2(3) . . ?
C3 B25 B30 108.1(4) . . ?
B24 B25 B30 62.5(3) . . ?
C3 B25 B26 59.2(3) . . ?
B24 B25 B26 111.4(3) . . ?
B30 B25 B26 106.4(3) . . ?
C3 B25 B31 107.2(3) . . ?
B24 B25 B31 109.5(4) . . ?
B30 B25 B31 56.5(3) . . ?
B26 B25 B31 61.1(3) . . ?
C3 B25 H25 122.4 . . ?
B24 B25 H25 117.7 . . ?
B30 B25 H25 122.2 . . ?
B26 B25 H25 122.0 . . ?
B31 B25 H25 122.6 . . ?
C3 B26 B27 107.2(3) . . ?
C3 B26 B25 56.5(3) . . ?
B27 B26 B25 108.0(3) . . ?
C3 B26 C4 55.2(2) . . ?
B27 B26 C4 61.3(3) . . ?
B25 B26 C4 99.6(3) . . ?
C3 B26 B31 104.2(3) . . ?
B27 B26 B31 60.1(3) . . ?
B25 B26 B31 59.9(3) . . ?
C4 B26 B31 103.5(3) . . ?
C3 B26 H26 124.6 . . ?
B27 B26 H26 119.7 . . ?
B25 B26 H26 124.7 . . ?
C4 B26 H26 126.3 . . ?
B31 B26 H26 123.4 . . ?
B32 B27 B26 109.3(3) . . ?
B32 B27 B31 58.1(3) . . ?
B26 B27 B31 61.8(3) . . ?
B32 B27 C4 102.4(3) . . ?
B26 B27 C4 60.9(3) . . ?
B31 B27 C4 104.4(3) . . ?
B32 B27 B28 57.5(3) . . ?
B26 B27 B28 105.3(4) . . ?
B31 B27 B28 101.5(3) . . ?
C4 B27 B28 54.9(3) . . ?
B32 B27 H27 123.4 . . ?
B26 B27 H27 119.1 . . ?
B31 B27 H27 123.6 . . ?
C4 B27 H27 125.4 . . ?
B28 B27 H27 127.0 . . ?
B29 B28 C4 106.4(3) . . ?
B29 B28 B32 63.1(3) . . ?
C4 B28 B32 107.0(3) . . ?
B29 B28 B23 60.5(3) . . ?
C4 B28 B23 57.4(3) . . ?
B32 B28 B23 110.1(3) . . ?
B29 B28 B27 107.1(3) . . ?
C4 B28 B27 61.3(3) . . ?
B32 B28 B27 56.7(2) . . ?
B23 B28 B27 106.9(3) . . ?
B29 B28 H28 121.3 . . ?
C4 B28 H28 123.1 . . ?
B32 B28 H28 120.7 . . ?
B23 B28 H28 122.3 . . ?
B27 B28 H28 122.6 . . ?
B30 B29 B28 111.0(4) . . ?
B30 B29 B23 106.5(4) . . ?
B28 B29 B23 61.5(3) . . ?
B30 B29 B32 63.6(3) . . ?
B28 B29 B32 59.6(3) . . ?
B23 B29 B32 108.2(3) . . ?
B30 B29 B24 62.3(3) . . ?
B28 B29 B24 107.7(3) . . ?
B23 B29 B24 55.3(3) . . ?
B32 B29 B24 111.8(4) . . ?
B30 B29 H29 120.1 . . ?
B28 B29 H29 120.1 . . ?
B23 B29 H29 123.7 . . ?
B32 B29 H29 119.4 . . ?
B24 B29 H29 122.1 . . ?
B29 B30 B31 111.3(3) . . ?
B29 B30 B25 108.9(4) . . ?
B31 B30 B25 63.7(3) . . ?
B29 B30 B24 63.5(3) . . ?
B31 B30 B24 110.6(4) . . ?
B25 B30 B24 56.7(3) . . ?
B29 B30 B32 62.7(3) . . ?
B31 B30 B32 58.6(3) . . ?
B25 B30 B32 108.8(3) . . ?
B24 B30 B32 112.0(4) . . ?
B29 B30 H30 117.8 . . ?
B31 B30 H30 120.7 . . ?
B25 B30 H30 122.9 . . ?
B24 B30 H30 119.6 . . ?
B32 B30 H30 120.5 . . ?
B30 B31 B32 64.2(3) . . ?
B30 B31 B27 108.9(4) . . ?
B32 B31 B27 58.5(3) . . ?
B30 B31 B25 59.8(3) . . ?
B32 B31 B25 110.2(4) . . ?
B27 B31 B25 105.8(3) . . ?
B30 B31 B26 107.5(4) . . ?
B32 B31 B26 106.5(3) . . ?
B27 B31 B26 58.1(3) . . ?
B25 B31 B26 59.0(3) . . ?
B30 B31 H31 120.2 . . ?
B32 B31 H31 120.5 . . ?
B27 B31 H31 123.3 . . ?
B25 B31 H31 122.0 . . ?
B26 B31 H31 123.2 . . ?
B31 B32 B27 63.4(3) . . ?
B31 B32 B28 111.6(4) . . ?
B27 B32 B28 65.8(3) . . ?
B31 B32 B29 102.7(4) . . ?
B27 B32 B29 109.7(4) . . ?
B28 B32 B29 57.3(3) . . ?
B31 B32 B30 57.2(3) . . ?
B27 B32 B30 107.4(4) . . ?
B28 B32 B30 101.1(4) . . ?
B29 B32 B30 53.8(3) . . ?
B31 B32 H32 120.6 . . ?
B27 B32 H32 117.3 . . ?
B28 B32 H32 122.0 . . ?
B29 B32 H32 126.1 . . ?
B30 B32 H32 126.9 . . ?

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
S4 Ru1 S2 C2 -91.05(14) . . . . ?
S3 Ru1 S2 C2 103.93(15) . . . . ?
O1 Ru1 S2 C2 9.60(16) . . . . ?
P1 Ru1 S2 C2 -174.02(14) . . . . ?
S4 Ru1 S3 C3 106.29(16) . . . . ?
S2 Ru1 S3 C3 -88.39(17) . . . . ?
O1 Ru1 S3 C3 1.69(17) . . . . ?
P1 Ru1 S3 C3 -172.32(16) . . . . ?
S3 Ru1 S4 C5 -75.21(15) . . . . ?
S2 Ru1 S4 C5 118.55(15) . . . . ?
O1 Ru1 S4 C5 26.01(16) . . . . ?
P1 Ru1 S4 C5 -156.47(15) . . . . ?
S4 Ru1 P1 C24 83.30(14) . . . . ?
S3 Ru1 P1 C24 -33.51(14) . . . . ?
S2 Ru1 P1 C24 -158.13(14) . . . . ?
O1 Ru1 P1 C24 -120.9(7) . . . . ?
S4 Ru1 P1 C18 -36.69(13) . . . . ?
S3 Ru1 P1 C18 -153.50(13) . . . . ?
S2 Ru1 P1 C18 81.88(13) . . . . ?
O1 Ru1 P1 C18 119.2(7) . . . . ?
S4 Ru1 P1 C7 -155.69(13) . . . . ?
S3 Ru1 P1 C7 87.49(13) . . . . ?
S2 Ru1 P1 C7 -37.13(13) . . . . ?
O1 Ru1 P1 C7 0.1(7) . . . . ?
S4 Ru1 O1 C1 107.4(2) . . . . ?
S3 Ru1 O1 C1 -134.9(2) . . . . ?
S2 Ru1 O1 C1 -10.8(2) . . . . ?
P1 Ru1 O1 C1 -48.1(8) . . . . ?
Ru1 O1 C1 C2 8.2(4) . . . . ?
Ru1 O1 C1 B4 148.0(3) . . . . ?
Ru1 O1 C1 B5 -134.8(3) . . . . ?
Ru1 O1 C1 B6 -63.4(3) . . . . ?
Ru1 O1 C1 B3 77.4(3) . . . . ?
O1 C1 C2 B3 106.6(4) . . . . ?
B4 C1 C2 B3 -36.7(3) . . . . ?
B5 C1 C2 B3 -106.1(3) . . . . ?
B6 C1 C2 B3 -144.0(3) . . . . ?
O1 C1 C2 B8 144.3(3) . . . . ?
B4 C1 C2 B8 1.0(4) . . . . ?
B5 C1 C2 B8 -68.4(4) . . . . ?
B6 C1 C2 B8 -106.3(3) . . . . ?
B3 C1 C2 B8 37.7(3) . . . . ?
O1 C1 C2 B6 -109.4(4) . . . . ?
B4 C1 C2 B6 107.3(3) . . . . ?
B5 C1 C2 B6 38.0(3) . . . . ?
B3 C1 C2 B6 144.0(3) . . . . ?
O1 C1 C2 B7 -146.2(3) . . . . ?
B4 C1 C2 B7 70.5(4) . . . . ?
B5 C1 C2 B7 1.1(4) . . . . ?
B6 C1 C2 B7 -36.8(3) . . . . ?
B3 C1 C2 B7 107.2(3) . . . . ?
O1 C1 C2 S2 0.1(5) . . . . ?
B4 C1 C2 S2 -143.2(3) . . . . ?
B5 C1 C2 S2 147.5(3) . . . . ?
B6 C1 C2 S2 109.5(3) . . . . ?
B3 C1 C2 S2 -106.5(3) . . . . ?
Ru1 S2 C2 C1 -8.3(3) . . . . ?
Ru1 S2 C2 B3 -78.4(3) . . . . ?
Ru1 S2 C2 B8 -148.9(3) . . . . ?
Ru1 S2 C2 B6 61.5(3) . . . . ?
Ru1 S2 C2 B7 134.2(3) . . . . ?
Ru1 S3 C3 C4 36.4(4) . . . . ?
Ru1 S3 C3 B25 -174.0(2) . . . . ?
Ru1 S3 C3 B23 -40.8(4) . . . . ?
Ru1 S3 C3 B26 114.7(3) . . . . ?
Ru1 S3 C3 B24 -108.4(3) . . . . ?
B25 C3 C4 B23 95.6(4) . . . . ?
B26 C3 C4 B23 140.0(3) . . . . ?
B24 C3 C4 B23 32.1(3) . . . . ?
S3 C3 C4 B23 -115.1(4) . . . . ?
B25 C3 C4 B28 56.6(5) . . . . ?
B23 C3 C4 B28 -39.0(3) . . . . ?
B26 C3 C4 B28 101.0(4) . . . . ?
B24 C3 C4 B28 -6.9(5) . . . . ?
S3 C3 C4 B28 -154.2(3) . . . . ?
B25 C3 C4 B26 -44.4(3) . . . . ?
B23 C3 C4 B26 -140.0(3) . . . . ?
B24 C3 C4 B26 -107.9(4) . . . . ?
S3 C3 C4 B26 104.9(4) . . . . ?
B25 C3 C4 B27 -11.6(4) . . . . ?
B23 C3 C4 B27 -107.2(4) . . . . ?
B26 C3 C4 B27 32.8(3) . . . . ?
B24 C3 C4 B27 -75.1(4) . . . . ?
S3 C3 C4 B27 137.7(3) . . . . ?
Ru1 S4 C5 C6 -5.9(4) . . . . ?
Ru1 S4 C5 B14 -154.3(2) . . . . ?
Ru1 S4 C5 B15 136.2(3) . . . . ?
Ru1 S4 C5 B13 -80.7(3) . . . . ?
Ru1 S4 C5 B16 66.8(3) . . . . ?
B14 C5 C6 B17 -68.2(4) . . . . ?
B15 C5 C6 B17 -0.9(5) . . . . ?
B13 C5 C6 B17 -108.3(4) . . . . ?
B16 C5 C6 B17 39.7(3) . . . . ?
S4 C5 C6 B17 142.3(3) . . . . ?
B14 C5 C6 B18 -0.2(4) . . . . ?
B15 C5 C6 B18 67.0(4) . . . . ?
B13 C5 C6 B18 -40.3(3) . . . . ?
B16 C5 C6 B18 107.7(4) . . . . ?
S4 C5 C6 B18 -149.7(3) . . . . ?
B14 C5 C6 B13 40.2(3) . . . . ?
B15 C5 C6 B13 107.4(3) . . . . ?
B16 C5 C6 B13 148.0(3) . . . . ?
S4 C5 C6 B13 -109.4(3) . . . . ?
B14 C5 C6 B16 -107.9(3) . . . . ?
B15 C5 C6 B16 -40.6(3) . . . . ?
B13 C5 C6 B16 -148.0(3) . . . . ?
S4 C5 C6 B16 102.6(4) . . . . ?
C24 P1 C7 C12 -105.1(3) . . . . ?
C18 P1 C7 C12 6.0(3) . . . . ?
Ru1 P1 C7 C12 131.2(3) . . . . ?
C24 P1 C7 C8 77.4(3) . . . . ?
C18 P1 C7 C8 -171.6(3) . . . . ?
Ru1 P1 C7 C8 -46.4(3) . . . . ?
C12 C7 C8 C9 3.9(6) . . . . ?
P1 C7 C8 C9 -178.5(3) . . . . ?
C7 C8 C9 C10 -3.2(6) . . . . ?
C8 C9 C10 C11 0.2(6) . . . . ?
C9 C10 C11 C12 1.9(7) . . . . ?
C8 C7 C12 C11 -1.6(6) . . . . ?
P1 C7 C12 C11 -179.2(3) . . . . ?
C10 C11 C12 C7 -1.2(6) . . . . ?
C18 C13 C14 C15 -0.9(6) . . . . ?
C13 C14 C15 C16 0.3(6) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C15 C16 C17 C18 -0.5(6) . . . . ?
C14 C13 C18 C17 0.8(6) . . . . ?
C14 C13 C18 P1 -176.6(3) . . . . ?
C16 C17 C18 C13 -0.1(6) . . . . ?
C16 C17 C18 P1 177.3(3) . . . . ?
C24 P1 C18 C13 -164.8(3) . . . . ?
C7 P1 C18 C13 82.2(3) . . . . ?
Ru1 P1 C18 C13 -40.9(4) . . . . ?
C24 P1 C18 C17 17.8(4) . . . . ?
C7 P1 C18 C17 -95.1(3) . . . . ?
Ru1 P1 C18 C17 141.8(3) . . . . ?
C24 C19 C20 C21 -1.5(7) . . . . ?
C19 C20 C21 C22 0.6(7) . . . . ?
C20 C21 C22 C23 1.1(7) . . . . ?
C21 C22 C23 C24 -2.0(7) . . . . ?
C20 C19 C24 C23 0.6(6) . . . . ?
C20 C19 C24 P1 -177.6(3) . . . . ?
C22 C23 C24 C19 1.1(6) . . . . ?
C22 C23 C24 P1 179.4(3) . . . . ?
C18 P1 C24 C19 -118.0(3) . . . . ?
C7 P1 C24 C19 -7.4(4) . . . . ?
Ru1 P1 C24 C19 116.2(3) . . . . ?
C18 P1 C24 C23 63.8(3) . . . . ?
C7 P1 C24 C23 174.4(3) . . . . ?
Ru1 P1 C24 C23 -62.0(3) . . . . ?
C1 C2 B3 B8 140.0(3) . . . . ?
B6 C2 B3 B8 105.0(3) . . . . ?
B7 C2 B3 B8 35.9(3) . . . . ?
S2 C2 B3 B8 -114.2(3) . . . . ?
C1 C2 B3 B9 99.3(3) . . . . ?
B8 C2 B3 B9 -40.7(3) . . . . ?
B6 C2 B3 B9 64.3(4) . . . . ?
B7 C2 B3 B9 -4.8(4) . . . . ?
S2 C2 B3 B9 -154.9(3) . . . . ?
C1 C2 B3 B4 34.1(3) . . . . ?
B8 C2 B3 B4 -105.9(3) . . . . ?
B6 C2 B3 B4 -0.9(4) . . . . ?
B7 C2 B3 B4 -70.1(4) . . . . ?
S2 C2 B3 B4 139.9(3) . . . . ?
B8 C2 B3 C1 -140.0(3) . . . . ?
B6 C2 B3 C1 -35.0(3) . . . . ?
B7 C2 B3 C1 -104.2(3) . . . . ?
S2 C2 B3 C1 105.8(3) . . . . ?
O1 C1 B3 C2 -110.2(3) . . . . ?
B4 C1 B3 C2 139.9(3) . . . . ?
B5 C1 B3 C2 99.2(3) . . . . ?
B6 C1 B3 C2 33.5(3) . . . . ?
O1 C1 B3 B8 -145.4(3) . . . . ?
C2 C1 B3 B8 -35.2(3) . . . . ?
B4 C1 B3 B8 104.7(3) . . . . ?
B5 C1 B3 B8 64.0(4) . . . . ?
B6 C1 B3 B8 -1.6(4) . . . . ?
O1 C1 B3 B9 151.0(3) . . . . ?
C2 C1 B3 B9 -98.8(3) . . . . ?
B4 C1 B3 B9 41.1(3) . . . . ?
B5 C1 B3 B9 0.4(5) . . . . ?
B6 C1 B3 B9 -65.3(4) . . . . ?
O1 C1 B3 B4 109.9(4) . . . . ?
C2 C1 B3 B4 -139.9(3) . . . . ?
B5 C1 B3 B4 -40.7(3) . . . . ?
B6 C1 B3 B4 -106.3(3) . . . . ?
O1 C1 B4 B10 150.7(3) . . . . ?
C2 C1 B4 B10 -65.7(4) . . . . ?
B5 C1 B4 B10 36.6(3) . . . . ?
B6 C1 B4 B10 0.4(4) . . . . ?
B3 C1 B4 B10 -101.9(3) . . . . ?
O1 C1 B4 B3 -107.4(4) . . . . ?
C2 C1 B4 B3 36.1(3) . . . . ?
B5 C1 B4 B3 138.5(3) . . . . ?
B6 C1 B4 B3 102.3(3) . . . . ?
O1 C1 B4 B9 -146.5(3) . . . . ?
C2 C1 B4 B9 -3.0(4) . . . . ?
B5 C1 B4 B9 99.4(3) . . . . ?
B6 C1 B4 B9 63.2(4) . . . . ?
B3 C1 B4 B9 -39.1(3) . . . . ?
O1 C1 B4 B5 114.1(4) . . . . ?
C2 C1 B4 B5 -102.4(3) . . . . ?
B6 C1 B4 B5 -36.2(3) . . . . ?
B3 C1 B4 B5 -138.5(3) . . . . ?
C2 B3 B4 C1 -34.1(3) . . . . ?
B8 B3 B4 C1 -96.5(4) . . . . ?
B9 B3 B4 C1 -134.8(3) . . . . ?
C2 B3 B4 B10 63.3(4) . . . . ?
B8 B3 B4 B10 0.9(5) . . . . ?
B9 B3 B4 B10 -37.4(3) . . . . ?
C1 B3 B4 B10 97.4(4) . . . . ?
C2 B3 B4 B9 100.7(3) . . . . ?
B8 B3 B4 B9 38.3(3) . . . . ?
C1 B3 B4 B9 134.8(3) . . . . ?
C2 B3 B4 B5 2.2(4) . . . . ?
B8 B3 B4 B5 -60.2(4) . . . . ?
B9 B3 B4 B5 -98.5(3) . . . . ?
C1 B3 B4 B5 36.3(3) . . . . ?
O1 C1 B5 B10 -147.1(4) . . . . ?
C2 C1 B5 B10 66.3(4) . . . . ?
B4 C1 B5 B10 -36.9(3) . . . . ?
B6 C1 B5 B10 104.6(4) . . . . ?
B3 C1 B5 B10 2.1(5) . . . . ?
O1 C1 B5 B6 108.2(4) . . . . ?
C2 C1 B5 B6 -38.3(3) . . . . ?
B4 C1 B5 B6 -141.6(3) . . . . ?
B3 C1 B5 B6 -102.6(3) . . . . ?
O1 C1 B5 B11 147.8(4) . . . . ?
C2 C1 B5 B11 1.2(4) . . . . ?
B4 C1 B5 B11 -102.0(4) . . . . ?
B6 C1 B5 B11 39.5(3) . . . . ?
B3 C1 B5 B11 -63.0(4) . . . . ?
O1 C1 B5 B4 -110.2(4) . . . . ?
C2 C1 B5 B4 103.2(3) . . . . ?
B6 C1 B5 B4 141.6(3) . . . . ?
B3 C1 B5 B4 39.0(3) . . . . ?
B10 B4 B5 C1 -137.0(4) . . . . ?
B3 B4 B5 C1 -37.8(3) . . . . ?
B9 B4 B5 C1 -99.3(3) . . . . ?
C1 B4 B5 B10 137.0(4) . . . . ?
B3 B4 B5 B10 99.2(4) . . . . ?
B9 B4 B5 B10 37.7(3) . . . . ?
C1 B4 B5 B6 34.9(3) . . . . ?
B10 B4 B5 B6 -102.1(4) . . . . ?
B3 B4 B5 B6 -2.8(4) . . . . ?
B9 B4 B5 B6 -64.4(4) . . . . ?
C1 B4 B5 B11 98.1(3) . . . . ?
B10 B4 B5 B11 -38.9(3) . . . . ?
B3 B4 B5 B11 60.3(4) . . . . ?
B9 B4 B5 B11 -1.3(4) . . . . ?
C1 C2 B6 B11 -99.2(3) . . . . ?
B3 C2 B6 B11 -63.9(4) . . . . ?
B8 C2 B6 B11 4.7(4) . . . . ?
B7 C2 B6 B11 42.0(3) . . . . ?
S2 C2 B6 B11 156.5(3) . . . . ?
C1 C2 B6 B5 -36.2(3) . . . . ?
B3 C2 B6 B5 -0.8(4) . . . . ?
B8 C2 B6 B5 67.7(4) . . . . ?
B7 C2 B6 B5 105.0(3) . . . . ?
S2 C2 B6 B5 -140.5(3) . . . . ?
B3 C2 B6 C1 35.4(3) . . . . ?
B8 C2 B6 C1 103.9(3) . . . . ?
B7 C2 B6 C1 141.2(3) . . . . ?
S2 C2 B6 C1 -104.3(3) . . . . ?
C1 C2 B6 B7 -141.2(3) . . . . ?
B3 C2 B6 B7 -105.8(3) . . . . ?
B8 C2 B6 B7 -37.3(3) . . . . ?
S2 C2 B6 B7 114.5(3) . . . . ?
C1 B5 B6 C2 35.3(3) . . . . ?
B10 B5 B6 C2 -60.2(4) . . . . ?
B11 B5 B6 C2 -99.7(3) . . . . ?
B4 B5 B6 C2 2.2(4) . . . . ?
C1 B5 B6 B11 135.0(3) . . . . ?
B10 B5 B6 B11 39.5(3) . . . . ?
B4 B5 B6 B11 101.9(3) . . . . ?
B10 B5 B6 C1 -95.6(4) . . . . ?
B11 B5 B6 C1 -135.0(3) . . . . ?
B4 B5 B6 C1 -33.1(3) . . . . ?
C1 B5 B6 B7 97.2(3) . . . . ?
B10 B5 B6 B7 1.6(5) . . . . ?
B11 B5 B6 B7 -37.8(3) . . . . ?
B4 B5 B6 B7 64.1(4) . . . . ?
O1 C1 B6 C2 110.0(3) . . . . ?
B4 C1 B6 C2 -99.8(3) . . . . ?
B5 C1 B6 C2 -137.9(3) . . . . ?
B3 C1 B6 C2 -33.0(3) . . . . ?
O1 C1 B6 B11 -152.0(3) . . . . ?
C2 C1 B6 B11 98.0(3) . . . . ?
B4 C1 B6 B11 -1.8(4) . . . . ?
B5 C1 B6 B11 -39.8(3) . . . . ?
B3 C1 B6 B11 65.0(4) . . . . ?
O1 C1 B6 B5 -112.1(4) . . . . ?
C2 C1 B6 B5 137.9(3) . . . . ?
B4 C1 B6 B5 38.1(3) . . . . ?
B3 C1 B6 B5 104.9(3) . . . . ?
O1 C1 B6 B7 144.0(3) . . . . ?
C2 C1 B6 B7 34.0(3) . . . . ?
B4 C1 B6 B7 -65.8(4) . . . . ?
B5 C1 B6 B7 -103.8(3) . . . . ?
B3 C1 B6 B7 1.0(4) . . . . ?
C1 C2 B7 B6 37.0(3) . . . . ?
B3 C2 B7 B6 106.6(4) . . . . ?
B8 C2 B7 B6 141.8(3) . . . . ?
S2 C2 B7 B6 -106.0(3) . . . . ?
C1 C2 B7 B11 -2.8(4) . . . . ?
B3 C2 B7 B11 66.9(4) . . . . ?
B8 C2 B7 B11 102.0(4) . . . . ?
B6 C2 B7 B11 -39.8(3) . . . . ?
S2 C2 B7 B11 -145.8(3) . . . . ?
C1 C2 B7 B8 -104.9(3) . . . . ?
B3 C2 B7 B8 -35.2(3) . . . . ?
B6 C2 B7 B8 -141.8(3) . . . . ?
S2 C2 B7 B8 112.1(3) . . . . ?
C1 C2 B7 B12 -63.2(4) . . . . ?
B3 C2 B7 B12 6.5(4) . . . . ?
B8 C2 B7 B12 41.6(3) . . . . ?
B6 C2 B7 B12 -100.2(3) . . . . ?
S2 C2 B7 B12 153.8(3) . . . . ?
B11 B6 B7 C2 -132.6(4) . . . . ?
B5 B6 B7 C2 -94.9(4) . . . . ?
C1 B6 B7 C2 -33.1(3) . . . . ?
C2 B6 B7 B11 132.6(4) . . . . ?
B5 B6 B7 B11 37.6(3) . . . . ?
C1 B6 B7 B11 99.5(3) . . . . ?
C2 B6 B7 B8 33.0(3) . . . . ?
B11 B6 B7 B8 -99.5(4) . . . . ?
B5 B6 B7 B8 -61.9(4) . . . . ?
C1 B6 B7 B8 0.0(4) . . . . ?
C2 B6 B7 B12 95.0(3) . . . . ?
B11 B6 B7 B12 -37.5(3) . . . . ?
B5 B6 B7 B12 0.1(4) . . . . ?
C1 B6 B7 B12 62.0(4) . . . . ?
C1 C2 B8 B3 -38.3(3) . . . . ?
B6 C2 B8 B3 -106.8(4) . . . . ?
B7 C2 B8 B3 -143.5(3) . . . . ?
S2 C2 B8 B3 102.8(3) . . . . ?
C1 C2 B8 B9 1.5(4) . . . . ?
B3 C2 B8 B9 39.8(3) . . . . ?
B6 C2 B8 B9 -67.0(4) . . . . ?
B7 C2 B8 B9 -103.7(3) . . . . ?
S2 C2 B8 B9 142.6(3) . . . . ?
C1 C2 B8 B12 62.5(4) . . . . ?
B3 C2 B8 B12 100.8(4) . . . . ?
B6 C2 B8 B12 -6.0(4) . . . . ?
B7 C2 B8 B12 -42.7(3) . . . . ?
S2 C2 B8 B12 -156.4(3) . . . . ?
C1 C2 B8 B7 105.1(3) . . . . ?
B3 C2 B8 B7 143.5(3) . . . . ?
B6 C2 B8 B7 36.7(3) . . . . ?
S2 C2 B8 B7 -113.7(3) . . . . ?
B9 B3 B8 C2 134.1(3) . . . . ?
B4 B3 B8 C2 95.0(4) . . . . ?
C1 B3 B8 C2 34.3(3) . . . . ?
C2 B3 B8 B9 -134.1(3) . . . . ?
B4 B3 B8 B9 -39.1(3) . . . . ?
C1 B3 B8 B9 -99.8(3) . . . . ?
C2 B3 B8 B12 -96.6(3) . . . . ?
B9 B3 B8 B12 37.5(3) . . . . ?
B4 B3 B8 B12 -1.6(5) . . . . ?
C1 B3 B8 B12 -62.3(4) . . . . ?
C2 B3 B8 B7 -32.7(3) . . . . ?
B9 B3 B8 B7 101.4(4) . . . . ?
B4 B3 B8 B7 62.3(4) . . . . ?
C1 B3 B8 B7 1.6(4) . . . . ?
B6 B7 B8 C2 -33.6(3) . . . . ?
B11 B7 B8 C2 -94.5(3) . . . . ?
B12 B7 B8 C2 -130.9(3) . . . . ?
C2 B7 B8 B3 32.6(3) . . . . ?
B6 B7 B8 B3 -1.0(4) . . . . ?
B11 B7 B8 B3 -61.8(4) . . . . ?
B12 B7 B8 B3 -98.3(4) . . . . ?
C2 B7 B8 B9 96.1(3) . . . . ?
B6 B7 B8 B9 62.4(4) . . . . ?
B11 B7 B8 B9 1.6(4) . . . . ?
B12 B7 B8 B9 -34.9(3) . . . . ?
C2 B7 B8 B12 130.9(3) . . . . ?
B6 B7 B8 B12 97.3(3) . . . . ?
B11 B7 B8 B12 36.5(3) . . . . ?
C2 B3 B9 B12 0.8(4) . . . . ?
B8 B3 B9 B12 -39.3(3) . . . . ?
B4 B3 B9 B12 99.2(4) . . . . ?
C1 B3 B9 B12 60.7(4) . . . . ?
C2 B3 B9 B8 40.1(3) . . . . ?
B4 B3 B9 B8 138.5(4) . . . . ?
C1 B3 B9 B8 99.9(4) . . . . ?
C2 B3 B9 B10 -62.4(4) . . . . ?
B8 B3 B9 B10 -102.5(4) . . . . ?
B4 B3 B9 B10 36.0(3) . . . . ?
C1 B3 B9 B10 -2.5(4) . . . . ?
C2 B3 B9 B4 -98.4(4) . . . . ?
B8 B3 B9 B4 -138.5(4) . . . . ?
C1 B3 B9 B4 -38.5(3) . . . . ?
C2 B8 B9 B3 -39.5(3) . . . . ?
B12 B8 B9 B3 -137.0(3) . . . . ?
B7 B8 B9 B3 -101.4(3) . . . . ?
C2 B8 B9 B12 97.4(3) . . . . ?
B3 B8 B9 B12 137.0(3) . . . . ?
B7 B8 B9 B12 35.6(3) . . . . ?
C2 B8 B9 B10 57.9(4) . . . . ?
B3 B8 B9 B10 97.4(4) . . . . ?
B12 B8 B9 B10 -39.6(3) . . . . ?
B7 B8 B9 B10 -4.0(4) . . . . ?
C2 B8 B9 B4 -3.2(4) . . . . ?
B3 B8 B9 B4 36.3(3) . . . . ?
B12 B8 B9 B4 -100.6(3) . . . . ?
B7 B8 B9 B4 -65.1(4) . . . . ?
C1 B4 B9 B3 40.6(3) . . . . ?
B10 B4 B9 B3 138.0(4) . . . . ?
B5 B4 B9 B3 101.4(4) . . . . ?
C1 B4 B9 B12 -60.9(4) . . . . ?
B10 B4 B9 B12 36.6(3) . . . . ?
B3 B4 B9 B12 -101.5(4) . . . . ?
B5 B4 B9 B12 0.0(4) . . . . ?
C1 B4 B9 B8 3.9(4) . . . . ?
B10 B4 B9 B8 101.3(4) . . . . ?
B3 B4 B9 B8 -36.7(3) . . . . ?
B5 B4 B9 B8 64.7(4) . . . . ?
C1 B4 B9 B10 -97.5(4) . . . . ?
B3 B4 B9 B10 -138.0(4) . . . . ?
B5 B4 B9 B10 -36.6(3) . . . . ?
C1 B5 B10 B4 36.0(3) . . . . ?
B6 B5 B10 B4 99.8(4) . . . . ?
B11 B5 B10 B4 138.0(3) . . . . ?
C1 B5 B10 B12 -66.6(4) . . . . ?
B6 B5 B10 B12 -2.7(5) . . . . ?
B11 B5 B10 B12 35.4(3) . . . . ?
B4 B5 B10 B12 -102.6(4) . . . . ?
C1 B5 B10 B9 -3.7(5) . . . . ?
B6 B5 B10 B9 60.1(5) . . . . ?
B11 B5 B10 B9 98.3(4) . . . . ?
B4 B5 B10 B9 -39.7(3) . . . . ?
C1 B5 B10 B11 -102.0(3) . . . . ?
B6 B5 B10 B11 -38.1(3) . . . . ?
B4 B5 B10 B11 -138.0(3) . . . . ?
C1 B4 B10 B5 -36.7(3) . . . . ?
B3 B4 B10 B5 -100.9(4) . . . . ?
B9 B4 B10 B5 -137.5(4) . . . . ?
C1 B4 B10 B12 64.4(4) . . . . ?
B3 B4 B10 B12 0.2(5) . . . . ?
B9 B4 B10 B12 -36.4(3) . . . . ?
B5 B4 B10 B12 101.1(4) . . . . ?
C1 B4 B10 B9 100.8(3) . . . . ?
B3 B4 B10 B9 36.6(3) . . . . ?
B5 B4 B10 B9 137.5(4) . . . . ?
C1 B4 B10 B11 1.0(4) . . . . ?
B3 B4 B10 B11 -63.1(4) . . . . ?
B9 B4 B10 B11 -99.8(4) . . . . ?
B5 B4 B10 B11 37.8(3) . . . . ?
B3 B9 B10 B5 4.0(5) . . . . ?
B12 B9 B10 B5 -98.6(4) . . . . ?
B8 B9 B10 B5 -58.5(4) . . . . ?
B4 B9 B10 B5 40.4(3) . . . . ?
B3 B9 B10 B4 -36.3(3) . . . . ?
B12 B9 B10 B4 -139.0(3) . . . . ?
B8 B9 B10 B4 -98.8(3) . . . . ?
B3 B9 B10 B12 102.7(4) . . . . ?
B8 B9 B10 B12 40.2(3) . . . . ?
B4 B9 B10 B12 139.0(3) . . . . ?
B3 B9 B10 B11 67.3(4) . . . . ?
B12 B9 B10 B11 -35.4(3) . . . . ?
B8 B9 B10 B11 4.8(4) . . . . ?
B4 B9 B10 B11 103.6(3) . . . . ?
C2 B6 B11 B5 97.9(4) . . . . ?
C1 B6 B11 B5 38.8(3) . . . . ?
B7 B6 B11 B5 138.9(4) . . . . ?
C2 B6 B11 B12 -1.2(5) . . . . ?
B5 B6 B11 B12 -99.2(4) . . . . ?
C1 B6 B11 B12 -60.3(4) . . . . ?
B7 B6 B11 B12 39.7(3) . . . . ?
C2 B6 B11 B7 -40.9(3) . . . . ?
B5 B6 B11 B7 -138.9(4) . . . . ?
C1 B6 B11 B7 -100.0(3) . . . . ?
C2 B6 B11 B10 61.3(4) . . . . ?
B5 B6 B11 B10 -36.6(3) . . . . ?
C1 B6 B11 B10 2.2(4) . . . . ?
B7 B6 B11 B10 102.2(4) . . . . ?
C1 B5 B11 B6 -40.3(3) . . . . ?
B10 B5 B11 B6 -137.5(4) . . . . ?
B4 B5 B11 B6 -100.2(4) . . . . ?
C1 B5 B11 B12 62.0(4) . . . . ?
B10 B5 B11 B12 -35.2(3) . . . . ?
B6 B5 B11 B12 102.2(4) . . . . ?
B4 B5 B11 B12 2.1(4) . . . . ?
C1 B5 B11 B7 -2.9(5) . . . . ?
B10 B5 B11 B7 -100.1(4) . . . . ?
B6 B5 B11 B7 37.3(3) . . . . ?
B4 B5 B11 B7 -62.8(4) . . . . ?
C1 B5 B11 B10 97.2(4) . . . . ?
B6 B5 B11 B10 137.5(4) . . . . ?
B4 B5 B11 B10 37.3(3) . . . . ?
C2 B7 B11 B6 40.3(3) . . . . ?
B8 B7 B11 B6 99.8(3) . . . . ?
B12 B7 B11 B6 136.5(4) . . . . ?
C2 B7 B11 B5 3.4(4) . . . . ?
B6 B7 B11 B5 -36.9(3) . . . . ?
B8 B7 B11 B5 62.9(4) . . . . ?
B12 B7 B11 B5 99.6(4) . . . . ?
C2 B7 B11 B12 -96.2(3) . . . . ?
B6 B7 B11 B12 -136.5(4) . . . . ?
B8 B7 B11 B12 -36.7(3) . . . . ?
C2 B7 B11 B10 -58.1(4) . . . . ?
B6 B7 B11 B10 -98.4(4) . . . . ?
B8 B7 B11 B10 1.4(4) . . . . ?
B12 B7 B11 B10 38.1(3) . . . . ?
B5 B10 B11 B6 37.4(3) . . . . ?
B4 B10 B11 B6 -2.1(4) . . . . ?
B12 B10 B11 B6 -102.8(3) . . . . ?
B9 B10 B11 B6 -67.7(4) . . . . ?
B4 B10 B11 B5 -39.5(3) . . . . ?
B12 B10 B11 B5 -140.2(3) . . . . ?
B9 B10 B11 B5 -105.0(3) . . . . ?
B5 B10 B11 B12 140.2(3) . . . . ?
B4 B10 B11 B12 100.7(4) . . . . ?
B9 B10 B11 B12 35.2(3) . . . . ?
B5 B10 B11 B7 101.2(3) . . . . ?
B4 B10 B11 B7 61.7(4) . . . . ?
B12 B10 B11 B7 -39.0(3) . . . . ?
B9 B10 B11 B7 -3.8(4) . . . . ?
B3 B9 B12 B10 -97.5(4) . . . . ?
B8 B9 B12 B10 -135.9(3) . . . . ?
B4 B9 B12 B10 -35.6(3) . . . . ?
B3 B9 B12 B11 -60.6(4) . . . . ?
B8 B9 B12 B11 -99.0(3) . . . . ?
B10 B9 B12 B11 36.9(3) . . . . ?
B4 B9 B12 B11 1.3(4) . . . . ?
B3 B9 B12 B8 38.3(3) . . . . ?
B10 B9 B12 B8 135.9(3) . . . . ?
B4 B9 B12 B8 100.3(3) . . . . ?
B3 B9 B12 B7 3.1(4) . . . . ?
B8 B9 B12 B7 -35.2(3) . . . . ?
B10 B9 B12 B7 100.6(3) . . . . ?
B4 B9 B12 B7 65.1(4) . . . . ?
B5 B10 B12 B9 104.7(4) . . . . ?
B4 B10 B12 B9 37.6(3) . . . . ?
B11 B10 B12 B9 140.1(3) . . . . ?
B5 B10 B12 B11 -35.4(3) . . . . ?
B4 B10 B12 B11 -102.5(4) . . . . ?
B9 B10 B12 B11 -140.1(3) . . . . ?
B5 B10 B12 B8 65.9(4) . . . . ?
B4 B10 B12 B8 -1.2(4) . . . . ?
B9 B10 B12 B8 -38.8(3) . . . . ?
B11 B10 B12 B8 101.3(3) . . . . ?
B5 B10 B12 B7 2.8(4) . . . . ?
B4 B10 B12 B7 -64.3(4) . . . . ?
B9 B10 B12 B7 -101.9(3) . . . . ?
B11 B10 B12 B7 38.2(3) . . . . ?
B6 B11 B12 B9 61.0(4) . . . . ?
B5 B11 B12 B9 -2.1(4) . . . . ?
B7 B11 B12 B9 100.4(4) . . . . ?
B10 B11 B12 B9 -36.7(3) . . . . ?
B6 B11 B12 B10 97.7(4) . . . . ?
B5 B11 B12 B10 34.6(3) . . . . ?
B7 B11 B12 B10 137.1(3) . . . . ?
B6 B11 B12 B8 -2.3(5) . . . . ?
B5 B11 B12 B8 -65.4(4) . . . . ?
B7 B11 B12 B8 37.1(3) . . . . ?
B10 B11 B12 B8 -100.0(4) . . . . ?
B6 B11 B12 B7 -39.4(3) . . . . ?
B5 B11 B12 B7 -102.5(3) . . . . ?
B10 B11 B12 B7 -137.1(3) . . . . ?
C2 B8 B12 B9 -99.0(3) . . . . ?
B3 B8 B12 B9 -37.8(3) . . . . ?
B7 B8 B12 B9 -140.9(3) . . . . ?
C2 B8 B12 B10 -59.5(4) . . . . ?
B3 B8 B12 B10 1.7(4) . . . . ?
B9 B8 B12 B10 39.5(3) . . . . ?
B7 B8 B12 B10 -101.4(3) . . . . ?
C2 B8 B12 B11 4.8(4) . . . . ?
B3 B8 B12 B11 66.1(4) . . . . ?
B9 B8 B12 B11 103.9(4) . . . . ?
B7 B8 B12 B11 -37.0(3) . . . . ?
C2 B8 B12 B7 41.9(3) . . . . ?
B3 B8 B12 B7 103.1(3) . . . . ?
B9 B8 B12 B7 140.9(3) . . . . ?
C2 B7 B12 B9 -5.6(4) . . . . ?
B6 B7 B12 B9 -66.2(4) . . . . ?
B11 B7 B12 B9 -103.3(4) . . . . ?
B8 B7 B12 B9 35.0(3) . . . . ?
C2 B7 B12 B10 58.9(4) . . . . ?
B6 B7 B12 B10 -1.7(4) . . . . ?
B11 B7 B12 B10 -38.8(3) . . . . ?
B8 B7 B12 B10 99.5(3) . . . . ?
C2 B7 B12 B11 97.8(3) . . . . ?
B6 B7 B12 B11 37.1(3) . . . . ?
B8 B7 B12 B11 138.4(3) . . . . ?
C2 B7 B12 B8 -40.6(3) . . . . ?
B6 B7 B12 B8 -101.3(3) . . . . ?
B11 B7 B12 B8 -138.4(3) . . . . ?
B14 C5 B13 C6 -138.1(3) . . . . ?
B15 C5 B13 C6 -101.4(4) . . . . ?
B16 C5 B13 C6 -31.6(3) . . . . ?
S4 C5 B13 C6 115.5(3) . . . . ?
C6 C5 B13 B19 96.4(3) . . . . ?
B14 C5 B13 B19 -41.7(3) . . . . ?
B15 C5 B13 B19 -5.0(5) . . . . ?
B16 C5 B13 B19 64.8(4) . . . . ?
S4 C5 B13 B19 -148.1(3) . . . . ?
C6 C5 B13 B14 138.1(3) . . . . ?
B15 C5 B13 B14 36.7(3) . . . . ?
B16 C5 B13 B14 106.5(4) . . . . ?
S4 C5 B13 B14 -106.4(3) . . . . ?
C6 C5 B13 B18 36.1(3) . . . . ?
B14 C5 B13 B18 -102.0(3) . . . . ?
B15 C5 B13 B18 -65.3(4) . . . . ?
B16 C5 B13 B18 4.5(5) . . . . ?
S4 C5 B13 B18 151.6(3) . . . . ?
B17 C6 B13 C5 102.2(4) . . . . ?
B18 C6 B13 C5 137.7(3) . . . . ?
B16 C6 B13 C5 31.0(3) . . . . ?
C5 C6 B13 B19 -98.4(3) . . . . ?
B17 C6 B13 B19 3.8(4) . . . . ?
B18 C6 B13 B19 39.3(3) . . . . ?
B16 C6 B13 B19 -67.3(4) . . . . ?
C5 C6 B13 B14 -35.3(3) . . . . ?
B17 C6 B13 B14 66.9(4) . . . . ?
B18 C6 B13 B14 102.4(3) . . . . ?
B16 C6 B13 B14 -4.3(4) . . . . ?
C5 C6 B13 B18 -137.7(3) . . . . ?
B17 C6 B13 B18 -35.5(3) . . . . ?
B16 C6 B13 B18 -106.7(4) . . . . ?
C6 C5 B14 B15 102.7(3) . . . . ?
B13 C5 B14 B15 142.0(3) . . . . ?
B16 C5 B14 B15 33.8(3) . . . . ?
S4 C5 B14 B15 -105.0(3) . . . . ?
C6 C5 B14 B13 -39.3(3) . . . . ?
B15 C5 B14 B13 -142.0(3) . . . . ?
B16 C5 B14 B13 -108.2(4) . . . . ?
S4 C5 B14 B13 113.0(3) . . . . ?
C6 C5 B14 B20 63.4(4) . . . . ?
B15 C5 B14 B20 -39.3(3) . . . . ?
B13 C5 B14 B20 102.7(3) . . . . ?
B16 C5 B14 B20 -5.5(5) . . . . ?
S4 C5 B14 B20 -144.3(3) . . . . ?
C6 C5 B14 B19 1.2(4) . . . . ?
B15 C5 B14 B19 -101.6(3) . . . . ?
B13 C5 B14 B19 40.4(3) . . . . ?
B16 C5 B14 B19 -67.7(4) . . . . ?
S4 C5 B14 B19 153.4(3) . . . . ?
C6 B13 B14 C5 35.0(3) . . . . ?
B19 B13 B14 C5 132.6(3) . . . . ?
B18 B13 B14 C5 95.5(3) . . . . ?
C5 B13 B14 B15 -33.9(3) . . . . ?
C6 B13 B14 B15 1.1(4) . . . . ?
B19 B13 B14 B15 98.6(4) . . . . ?
B18 B13 B14 B15 61.6(4) . . . . ?
C5 B13 B14 B20 -95.5(3) . . . . ?
C6 B13 B14 B20 -60.5(4) . . . . ?
B19 B13 B14 B20 37.0(3) . . . . ?
B18 B13 B14 B20 0.0(4) . . . . ?
C5 B13 B14 B19 -132.6(3) . . . . ?
C6 B13 B14 B19 -97.6(3) . . . . ?
B18 B13 B14 B19 -37.0(3) . . . . ?
C6 C5 B15 B20 -62.7(4) . . . . ?
B14 C5 B15 B20 41.9(3) . . . . ?
B13 C5 B15 B20 4.6(5) . . . . ?
B16 C5 B15 B20 -103.4(4) . . . . ?
S4 C5 B15 B20 150.1(3) . . . . ?
C6 C5 B15 B14 -104.6(4) . . . . ?
B13 C5 B15 B14 -37.3(3) . . . . ?
B16 C5 B15 B14 -145.3(4) . . . . ?
S4 C5 B15 B14 108.2(3) . . . . ?
C6 C5 B15 B21 1.5(4) . . . . ?
B14 C5 B15 B21 106.1(4) . . . . ?
B13 C5 B15 B21 68.8(4) . . . . ?
B16 C5 B15 B21 -39.2(3) . . . . ?
S4 C5 B15 B21 -145.7(3) . . . . ?
C6 C5 B15 B16 40.7(3) . . . . ?
B14 C5 B15 B16 145.3(4) . . . . ?
B13 C5 B15 B16 108.0(4) . . . . ?
S4 C5 B15 B16 -106.5(3) . . . . ?
B13 B14 B15 C5 33.8(3) . . . . ?
B20 B14 B15 C5 133.6(4) . . . . ?
B19 B14 B15 C5 95.9(4) . . . . ?
C5 B14 B15 B20 -133.6(4) . . . . ?
B13 B14 B15 B20 -99.8(4) . . . . ?
B19 B14 B15 B20 -37.7(3) . . . . ?
C5 B14 B15 B21 -94.7(4) . . . . ?
B13 B14 B15 B21 -60.9(4) . . . . ?
B20 B14 B15 B21 38.9(3) . . . . ?
B19 B14 B15 B21 1.3(5) . . . . ?
C5 B14 B15 B16 -31.5(3) . . . . ?
B13 B14 B15 B16 2.3(4) . . . . ?
B20 B14 B15 B16 102.1(4) . . . . ?
B19 B14 B15 B16 64.4(4) . . . . ?
C6 C5 B16 B21 -96.4(4) . . . . ?
B14 C5 B16 B21 6.4(5) . . . . ?
B15 C5 B16 B21 40.1(3) . . . . ?
B13 C5 B16 B21 -65.1(4) . . . . ?
S4 C5 B16 B21 145.9(3) . . . . ?
B14 C5 B16 C6 102.8(4) . . . . ?
B15 C5 B16 C6 136.6(3) . . . . ?
B13 C5 B16 C6 31.3(3) . . . . ?
S4 C5 B16 C6 -117.7(3) . . . . ?
C6 C5 B16 B15 -136.6(3) . . . . ?
B14 C5 B16 B15 -33.7(3) . . . . ?
B13 C5 B16 B15 -105.3(4) . . . . ?
S4 C5 B16 B15 105.7(3) . . . . ?
C6 C5 B16 B17 -34.5(3) . . . . ?
B14 C5 B16 B17 68.4(4) . . . . ?
B15 C5 B16 B17 102.1(4) . . . . ?
B13 C5 B16 B17 -3.2(5) . . . . ?
S4 C5 B16 B17 -152.1(3) . . . . ?
B17 C6 B16 C5 -138.5(4) . . . . ?
B18 C6 B16 C5 -102.1(4) . . . . ?
B13 C6 B16 C5 -31.1(3) . . . . ?
C5 C6 B16 B21 99.0(4) . . . . ?
B17 C6 B16 B21 -39.5(3) . . . . ?
B18 C6 B16 B21 -3.1(5) . . . . ?
B13 C6 B16 B21 67.9(4) . . . . ?
C5 C6 B16 B15 36.7(3) . . . . ?
B17 C6 B16 B15 -101.8(4) . . . . ?
B18 C6 B16 B15 -65.4(4) . . . . ?
B13 C6 B16 B15 5.6(4) . . . . ?
C5 C6 B16 B17 138.5(4) . . . . ?
B18 C6 B16 B17 36.4(4) . . . . ?
B13 C6 B16 B17 107.4(4) . . . . ?
B20 B15 B16 C5 97.8(3) . . . . ?
B14 B15 B16 C5 31.2(3) . . . . ?
B21 B15 B16 C5 134.3(3) . . . . ?
C5 B15 B16 B21 -134.3(3) . . . . ?
B20 B15 B16 B21 -36.5(3) . . . . ?
B14 B15 B16 B21 -103.1(4) . . . . ?
C5 B15 B16 C6 -35.7(3) . . . . ?
B20 B15 B16 C6 62.1(4) . . . . ?
B14 B15 B16 C6 -4.6(4) . . . . ?
B21 B15 B16 C6 98.6(3) . . . . ?
C5 B15 B16 B17 -94.1(3) . . . . ?
B20 B15 B16 B17 3.7(4) . . . . ?
B14 B15 B16 B17 -63.0(4) . . . . ?
B21 B15 B16 B17 40.2(3) . . . . ?
C5 C6 B17 B22 63.4(4) . . . . ?
B18 C6 B17 B22 -40.5(3) . . . . ?
B13 C6 B17 B22 -4.7(5) . . . . ?
B16 C6 B17 B22 102.3(4) . . . . ?
C5 C6 B17 B18 103.8(4) . . . . ?
B13 C6 B17 B18 35.8(3) . . . . ?
B16 C6 B17 B18 142.7(4) . . . . ?
C5 C6 B17 B21 -0.1(4) . . . . ?
B18 C6 B17 B21 -103.9(4) . . . . ?
B13 C6 B17 B21 -68.1(4) . . . . ?
B16 C6 B17 B21 38.8(3) . . . . ?
C5 C6 B17 B16 -38.9(3) . . . . ?
B18 C6 B17 B16 -142.7(4) . . . . ?
B13 C6 B17 B16 -106.9(4) . . . . ?
C5 B16 B17 C6 34.2(3) . . . . ?
B21 B16 B17 C6 134.5(4) . . . . ?
B15 B16 B17 C6 94.2(3) . . . . ?
C5 B16 B17 B22 -63.5(4) . . . . ?
B21 B16 B17 B22 36.8(3) . . . . ?
C6 B16 B17 B22 -97.8(4) . . . . ?
B15 B16 B17 B22 -3.6(4) . . . . ?
C5 B16 B17 B18 0.4(5) . . . . ?
B21 B16 B17 B18 100.7(4) . . . . ?
C6 B16 B17 B18 -33.8(3) . . . . ?
B15 B16 B17 B18 60.3(4) . . . . ?
C5 B16 B17 B21 -100.3(4) . . . . ?
C6 B16 B17 B21 -134.5(4) . . . . ?
B15 B16 B17 B21 -40.4(3) . . . . ?
C5 C6 B18 B19 -1.0(4) . . . . ?
B17 C6 B18 B19 103.3(3) . . . . ?
B13 C6 B18 B19 -40.6(3) . . . . ?
B16 C6 B18 B19 66.6(4) . . . . ?
C5 C6 B18 B22 -64.4(4) . . . . ?
B17 C6 B18 B22 39.8(3) . . . . ?
B13 C6 B18 B22 -104.0(4) . . . . ?
B16 C6 B18 B22 3.1(5) . . . . ?
C5 C6 B18 B17 -104.3(4) . . . . ?
B13 C6 B18 B17 -143.9(4) . . . . ?
B16 C6 B18 B17 -36.7(4) . . . . ?
C5 C6 B18 B13 39.6(3) . . . . ?
B17 C6 B18 B13 143.9(4) . . . . ?
B16 C6 B18 B13 107.2(4) . . . . ?
B22 B17 B18 C6 133.8(4) . . . . ?
B21 B17 B18 C6 96.2(4) . . . . ?
B16 B17 B18 C6 34.0(3) . . . . ?
C6 B17 B18 B19 -95.5(4) . . . . ?
B22 B17 B18 B19 38.3(3) . . . . ?
B21 B17 B18 B19 0.7(5) . . . . ?
B16 B17 B18 B19 -61.5(4) . . . . ?
C6 B17 B18 B22 -133.8(4) . . . . ?
B21 B17 B18 B22 -37.5(3) . . . . ?
B16 B17 B18 B22 -99.8(4) . . . . ?
C6 B17 B18 B13 -31.8(3) . . . . ?
B22 B17 B18 B13 102.0(4) . . . . ?
B21 B17 B18 B13 64.5(4) . . . . ?
B16 B17 B18 B13 2.2(5) . . . . ?
C5 B13 B18 C6 -35.4(3) . . . . ?
B19 B13 B18 C6 -133.5(3) . . . . ?
B14 B13 B18 C6 -95.1(3) . . . . ?
C5 B13 B18 B19 98.1(3) . . . . ?
C6 B13 B18 B19 133.5(3) . . . . ?
B14 B13 B18 B19 38.3(3) . . . . ?
C5 B13 B18 B22 59.2(4) . . . . ?
C6 B13 B18 B22 94.6(4) . . . . ?
B19 B13 B18 B22 -38.9(3) . . . . ?
B14 B13 B18 B22 -0.6(4) . . . . ?
C5 B13 B18 B17 -3.9(4) . . . . ?
C6 B13 B18 B17 31.5(3) . . . . ?
B19 B13 B18 B17 -101.9(4) . . . . ?
B14 B13 B18 B17 -63.6(4) . . . . ?
C6 B18 B19 B13 39.6(3) . . . . ?
B22 B18 B19 B13 137.4(3) . . . . ?
B17 B18 B19 B13 100.0(4) . . . . ?
C6 B18 B19 B22 -97.8(3) . . . . ?
B17 B18 B19 B22 -37.5(3) . . . . ?
B13 B18 B19 B22 -137.4(3) . . . . ?
C6 B18 B19 B20 -60.9(4) . . . . ?
B22 B18 B19 B20 36.9(3) . . . . ?
B17 B18 B19 B20 -0.6(4) . . . . ?
B13 B18 B19 B20 -100.5(4) . . . . ?
C6 B18 B19 B14 1.6(4) . . . . ?
B22 B18 B19 B14 99.4(4) . . . . ?
B17 B18 B19 B14 62.0(4) . . . . ?
B13 B18 B19 B14 -38.0(3) . . . . ?
C5 B13 B19 B18 -97.8(3) . . . . ?
C6 B13 B19 B18 -39.3(3) . . . . ?
B14 B13 B19 B18 -137.5(3) . . . . ?
C5 B13 B19 B22 -59.8(4) . . . . ?
C6 B13 B19 B22 -1.4(4) . . . . ?
B14 B13 B19 B22 -99.6(4) . . . . ?
B18 B13 B19 B22 37.9(3) . . . . ?
C5 B13 B19 B20 3.4(4) . . . . ?
C6 B13 B19 B20 61.8(4) . . . . ?
B14 B13 B19 B20 -36.4(3) . . . . ?
B18 B13 B19 B20 101.1(4) . . . . ?
C5 B13 B19 B14 39.8(3) . . . . ?
C6 B13 B19 B14 98.2(3) . . . . ?
B18 B13 B19 B14 137.5(3) . . . . ?
C5 B14 B19 B18 -1.7(4) . . . . ?
B15 B14 B19 B18 -63.3(4) . . . . ?
B13 B14 B19 B18 38.7(3) . . . . ?
B20 B14 B19 B18 -100.0(4) . . . . ?
C5 B14 B19 B13 -40.5(3) . . . . ?
B15 B14 B19 B13 -102.0(4) . . . . ?
B20 B14 B19 B13 -138.7(4) . . . . ?
C5 B14 B19 B22 61.2(4) . . . . ?
B15 B14 B19 B22 -0.3(4) . . . . ?
B13 B14 B19 B22 101.6(4) . . . . ?
B20 B14 B19 B22 -37.1(3) . . . . ?
C5 B14 B19 B20 98.3(3) . . . . ?
B15 B14 B19 B20 36.7(3) . . . . ?
B13 B14 B19 B20 138.7(4) . . . . ?
C5 B15 B20 B21 98.1(4) . . . . ?
B14 B15 B20 B21 138.2(4) . . . . ?
B16 B15 B20 B21 35.2(3) . . . . ?
C5 B15 B20 B14 -40.1(3) . . . . ?
B21 B15 B20 B14 -138.2(4) . . . . ?
B16 B15 B20 B14 -103.0(4) . . . . ?
C5 B15 B20 B22 60.5(4) . . . . ?
B14 B15 B20 B22 100.6(4) . . . . ?
B21 B15 B20 B22 -37.6(3) . . . . ?
B16 B15 B20 B22 -2.4(4) . . . . ?
C5 B15 B20 B19 -2.1(4) . . . . ?
B14 B15 B20 B19 38.0(3) . . . . ?
B21 B15 B20 B19 -100.2(4) . . . . ?
B16 B15 B20 B19 -65.0(4) . . . . ?
C5 B14 B20 B15 39.8(3) . . . . ?
B13 B14 B20 B15 101.2(4) . . . . ?
B19 B14 B20 B15 137.6(4) . . . . ?
C5 B14 B20 B21 2.3(4) . . . . ?
B15 B14 B20 B21 -37.5(3) . . . . ?
B13 B14 B20 B21 63.7(4) . . . . ?
B19 B14 B20 B21 100.1(4) . . . . ?
C5 B14 B20 B22 -60.8(4) . . . . ?
B15 B14 B20 B22 -100.7(4) . . . . ?
B13 B14 B20 B22 0.6(4) . . . . ?
B19 B14 B20 B22 37.0(3) . . . . ?
C5 B14 B20 B19 -97.8(4) . . . . ?
B15 B14 B20 B19 -137.6(4) . . . . ?
B13 B14 B20 B19 -36.4(3) . . . . ?
B18 B19 B20 B15 63.9(4) . . . . ?
B13 B19 B20 B15 -0.8(4) . . . . ?
B22 B19 B20 B15 100.7(4) . . . . ?
B14 B19 B20 B15 -37.5(3) . . . . ?
B18 B19 B20 B21 0.2(4) . . . . ?
B13 B19 B20 B21 -64.6(4) . . . . ?
B22 B19 B20 B21 37.0(3) . . . . ?
B14 B19 B20 B21 -101.3(4) . . . . ?
B18 B19 B20 B14 101.5(4) . . . . ?
B13 B19 B20 B14 36.7(3) . . . . ?
B22 B19 B20 B14 138.2(4) . . . . ?
B18 B19 B20 B22 -36.8(3) . . . . ?
B13 B19 B20 B22 -101.5(4) . . . . ?
B14 B19 B20 B22 -138.2(4) . . . . ?
C5 B16 B21 B15 -38.9(3) . . . . ?
C6 B16 B21 B15 -96.9(3) . . . . ?
B17 B16 B21 B15 -134.5(3) . . . . ?
C5 B16 B21 B17 95.6(3) . . . . ?
C6 B16 B21 B17 37.7(3) . . . . ?
B15 B16 B21 B17 134.5(3) . . . . ?
C5 B16 B21 B22 59.6(4) . . . . ?
C6 B16 B21 B22 1.7(4) . . . . ?
B15 B16 B21 B22 98.5(4) . . . . ?
B17 B16 B21 B22 -36.0(3) . . . . ?
C5 B16 B21 B20 -4.4(4) . . . . ?
C6 B16 B21 B20 -62.3(4) . . . . ?
B15 B16 B21 B20 34.5(3) . . . . ?
B17 B16 B21 B20 -100.0(4) . . . . ?
C5 B15 B21 B16 39.6(3) . . . . ?
B20 B15 B21 B16 140.5(4) . . . . ?
B14 B15 B21 B16 101.3(4) . . . . ?
C5 B15 B21 B17 -1.6(4) . . . . ?
B20 B15 B21 B17 99.3(4) . . . . ?
B14 B15 B21 B17 60.1(5) . . . . ?
B16 B15 B21 B17 -41.2(3) . . . . ?
C5 B15 B21 B22 -63.3(4) . . . . ?
B20 B15 B21 B22 37.5(3) . . . . ?
B14 B15 B21 B22 -1.7(5) . . . . ?
B16 B15 B21 B22 -102.9(4) . . . . ?
C5 B15 B21 B20 -100.8(3) . . . . ?
B14 B15 B21 B20 -39.2(3) . . . . ?
B16 B15 B21 B20 -140.5(4) . . . . ?
C6 B17 B21 B16 -39.7(3) . . . . ?
B22 B17 B21 B16 -139.4(3) . . . . ?
B18 B17 B21 B16 -102.3(4) . . . . ?
C6 B17 B21 B15 1.0(5) . . . . ?
B22 B17 B21 B15 -98.6(4) . . . . ?
B18 B17 B21 B15 -61.5(4) . . . . ?
B16 B17 B21 B15 40.8(3) . . . . ?
C6 B17 B21 B22 99.7(4) . . . . ?
B18 B17 B21 B22 37.1(3) . . . . ?
B16 B17 B21 B22 139.4(3) . . . . ?
C6 B17 B21 B20 62.0(4) . . . . ?
B22 B17 B21 B20 -37.7(3) . . . . ?
B18 B17 B21 B20 -0.6(4) . . . . ?
B16 B17 B21 B20 101.7(4) . . . . ?
B15 B20 B21 B16 -35.7(3) . . . . ?
B14 B20 B21 B16 1.4(4) . . . . ?
B22 B20 B21 B16 102.0(4) . . . . ?
B19 B20 B21 B16 65.2(4) . . . . ?
B14 B20 B21 B15 37.1(3) . . . . ?
B22 B20 B21 B15 137.7(3) . . . . ?
B19 B20 B21 B15 100.9(3) . . . . ?
B15 B20 B21 B17 -100.7(4) . . . . ?
B14 B20 B21 B17 -63.6(4) . . . . ?
B22 B20 B21 B17 37.0(3) . . . . ?
B19 B20 B21 B17 0.2(4) . . . . ?
B15 B20 B21 B22 -137.7(3) . . . . ?
B14 B20 B21 B22 -100.6(4) . . . . ?
B19 B20 B21 B22 -36.8(3) . . . . ?
C6 B17 B22 B18 40.3(3) . . . . ?
B21 B17 B22 B18 138.9(3) . . . . ?
B16 B17 B22 B18 103.3(4) . . . . ?
C6 B17 B22 B19 3.4(4) . . . . ?
B18 B17 B22 B19 -36.9(3) . . . . ?
B21 B17 B22 B19 102.0(4) . . . . ?
B16 B17 B22 B19 66.4(4) . . . . ?
C6 B17 B22 B21 -98.6(3) . . . . ?
B18 B17 B22 B21 -138.9(3) . . . . ?
B16 B17 B22 B21 -35.6(3) . . . . ?
C6 B17 B22 B20 -60.9(4) . . . . ?
B18 B17 B22 B20 -101.2(4) . . . . ?
B21 B17 B22 B20 37.7(3) . . . . ?
B16 B17 B22 B20 2.2(4) . . . . ?
C6 B18 B22 B17 -38.9(3) . . . . ?
B19 B18 B22 B17 -138.1(4) . . . . ?
B13 B18 B22 B17 -99.7(4) . . . . ?
C6 B18 B22 B19 99.2(4) . . . . ?
B17 B18 B22 B19 138.1(4) . . . . ?
B13 B18 B22 B19 38.4(3) . . . . ?
C6 B18 B22 B21 -1.8(4) . . . . ?
B19 B18 B22 B21 -101.0(4) . . . . ?
B17 B18 B22 B21 37.1(3) . . . . ?
B13 B18 B22 B21 -62.7(4) . . . . ?
C6 B18 B22 B20 61.7(4) . . . . ?
B19 B18 B22 B20 -37.4(3) . . . . ?
B17 B18 B22 B20 100.6(4) . . . . ?
B13 B18 B22 B20 0.9(5) . . . . ?
B18 B19 B22 B17 37.5(3) . . . . ?
B13 B19 B22 B17 -1.2(5) . . . . ?
B20 B19 B22 B17 -101.1(4) . . . . ?
B14 B19 B22 B17 -64.3(4) . . . . ?
B13 B19 B22 B18 -38.8(3) . . . . ?
B20 B19 B22 B18 -138.6(4) . . . . ?
B14 B19 B22 B18 -101.9(4) . . . . ?
B18 B19 B22 B21 101.2(4) . . . . ?
B13 B19 B22 B21 62.4(4) . . . . ?
B20 B19 B22 B21 -37.4(3) . . . . ?
B14 B19 B22 B21 -0.7(5) . . . . ?
B18 B19 B22 B20 138.6(4) . . . . ?
B13 B19 B22 B20 99.8(4) . . . . ?
B14 B19 B22 B20 36.7(3) . . . . ?
B16 B21 B22 B17 37.3(3) . . . . ?
B15 B21 B22 B17 101.3(4) . . . . ?
B20 B21 B22 B17 137.7(3) . . . . ?
B16 B21 B22 B18 0.1(5) . . . . ?
B15 B21 B22 B18 64.1(4) . . . . ?
B17 B21 B22 B18 -37.1(3) . . . . ?
B20 B21 B22 B18 100.5(4) . . . . ?
B16 B21 B22 B19 -62.6(4) . . . . ?
B15 B21 B22 B19 1.4(5) . . . . ?
B17 B21 B22 B19 -99.8(4) . . . . ?
B20 B21 B22 B19 37.8(3) . . . . ?
B16 B21 B22 B20 -100.4(4) . . . . ?
B15 B21 B22 B20 -36.4(3) . . . . ?
B17 B21 B22 B20 -137.7(3) . . . . ?
B15 B20 B22 B17 0.1(4) . . . . ?
B21 B20 B22 B17 -37.8(3) . . . . ?
B14 B20 B22 B17 62.9(4) . . . . ?
B19 B20 B22 B17 100.5(4) . . . . ?
B15 B20 B22 B18 -63.7(4) . . . . ?
B21 B20 B22 B18 -101.7(4) . . . . ?
B14 B20 B22 B18 -0.9(5) . . . . ?
B19 B20 B22 B18 36.6(3) . . . . ?
B15 B20 B22 B19 -100.4(3) . . . . ?
B21 B20 B22 B19 -138.3(3) . . . . ?
B14 B20 B22 B19 -37.5(3) . . . . ?
B15 B20 B22 B21 38.0(3) . . . . ?
B14 B20 B22 B21 100.8(4) . . . . ?
B19 B20 B22 B21 138.3(3) . . . . ?
C3 C4 B23 B24 -34.8(3) . . . . ?
B28 C4 B23 B24 104.1(4) . . . . ?
B26 C4 B23 B24 1.0(5) . . . . ?
B27 C4 B23 B24 63.4(5) . . . . ?
B28 C4 B23 C3 138.8(3) . . . . ?
B26 C4 B23 C3 35.7(3) . . . . ?
B27 C4 B23 C3 98.1(3) . . . . ?
C3 C4 B23 B29 -102.8(4) . . . . ?
B28 C4 B23 B29 36.0(3) . . . . ?
B26 C4 B23 B29 -67.1(4) . . . . ?
B27 C4 B23 B29 -4.7(4) . . . . ?
C3 C4 B23 B28 -138.8(3) . . . . ?
B26 C4 B23 B28 -103.1(4) . . . . ?
B27 C4 B23 B28 -40.7(3) . . . . ?
C4 C3 B23 B24 143.1(4) . . . . ?
B25 C3 B23 B24 34.7(4) . . . . ?
B26 C3 B23 B24 103.3(4) . . . . ?
S3 C3 B23 B24 -100.7(4) . . . . ?
B25 C3 B23 C4 -108.3(4) . . . . ?
B26 C3 B23 C4 -39.7(3) . . . . ?
B24 C3 B23 C4 -143.1(4) . . . . ?
S3 C3 B23 C4 116.2(4) . . . . ?
C4 C3 B23 B29 97.8(4) . . . . ?
B25 C3 B23 B29 -10.5(5) . . . . ?
B26 C3 B23 B29 58.1(4) . . . . ?
B24 C3 B23 B29 -45.2(3) . . . . ?
S3 C3 B23 B29 -146.0(3) . . . . ?
C4 C3 B23 B28 36.6(3) . . . . ?
B25 C3 B23 B28 -71.8(4) . . . . ?
B26 C3 B23 B28 -3.2(4) . . . . ?
B24 C3 B23 B28 -106.5(4) . . . . ?
S3 C3 B23 B28 152.8(3) . . . . ?
C4 B23 B24 B25 -1.6(5) . . . . ?
C3 B23 B24 B25 -34.9(3) . . . . ?
B29 B23 B24 B25 96.9(4) . . . . ?
B28 B23 B24 B25 63.3(5) . . . . ?
C4 B23 B24 C3 33.3(3) . . . . ?
B29 B23 B24 C3 131.9(4) . . . . ?
B28 B23 B24 C3 98.3(4) . . . . ?
C4 B23 B24 B30 -65.2(4) . . . . ?
C3 B23 B24 B30 -98.5(4) . . . . ?
B29 B23 B24 B30 33.4(3) . . . . ?
B28 B23 B24 B30 -0.2(5) . . . . ?
C4 B23 B24 B29 -98.6(4) . . . . ?
C3 B23 B24 B29 -131.9(4) . . . . ?
B28 B23 B24 B29 -33.6(4) . . . . ?
C4 C3 B24 B23 -33.1(4) . . . . ?
B25 C3 B24 B23 -140.4(4) . . . . ?
B26 C3 B24 B23 -103.9(4) . . . . ?
S3 C3 B24 B23 118.1(4) . . . . ?
C4 C3 B24 B25 107.3(4) . . . . ?
B23 C3 B24 B25 140.4(4) . . . . ?
B26 C3 B24 B25 36.5(4) . . . . ?
S3 C3 B24 B25 -101.4(3) . . . . ?
C4 C3 B24 B30 65.3(4) . . . . ?
B25 C3 B24 B30 -42.0(3) . . . . ?
B23 C3 B24 B30 98.4(4) . . . . ?
B26 C3 B24 B30 -5.5(5) . . . . ?
S3 C3 B24 B30 -143.5(3) . . . . ?
C4 C3 B24 B29 9.1(5) . . . . ?
B25 C3 B24 B29 -98.2(4) . . . . ?
B23 C3 B24 B29 42.2(4) . . . . ?
B26 C3 B24 B29 -61.7(4) . . . . ?
S3 C3 B24 B29 160.3(3) . . . . ?
C4 C3 B25 B24 -97.5(4) . . . . ?
B23 C3 B25 B24 -33.9(3) . . . . ?
B26 C3 B25 B24 -142.6(4) . . . . ?
S3 C3 B25 B24 108.6(3) . . . . ?
C4 C3 B25 B30 -53.6(5) . . . . ?
B23 C3 B25 B30 10.0(5) . . . . ?
B26 C3 B25 B30 -98.7(4) . . . . ?
B24 C3 B25 B30 43.9(3) . . . . ?
S3 C3 B25 B30 152.5(3) . . . . ?
C4 C3 B25 B26 45.1(3) . . . . ?
B23 C3 B25 B26 108.7(4) . . . . ?
B24 C3 B25 B26 142.6(4) . . . . ?
S3 C3 B25 B26 -108.8(3) . . . . ?
C4 C3 B25 B31 5.9(5) . . . . ?
B23 C3 B25 B31 69.5(4) . . . . ?
B26 C3 B25 B31 -39.2(3) . . . . ?
B24 C3 B25 B31 103.4(4) . . . . ?
S3 C3 B25 B31 -148.0(3) . . . . ?
B23 B24 B25 C3 35.7(3) . . . . ?
B30 B24 B25 C3 132.0(3) . . . . ?
B29 B24 B25 C3 99.1(3) . . . . ?
B23 B24 B25 B30 -96.3(4) . . . . ?
C3 B24 B25 B30 -132.0(3) . . . . ?
B29 B24 B25 B30 -32.9(3) . . . . ?
B23 B24 B25 B26 1.7(5) . . . . ?
C3 B24 B25 B26 -34.1(3) . . . . ?
B30 B24 B25 B26 98.0(4) . . . . ?
B29 B24 B25 B26 65.0(4) . . . . ?
B23 B24 B25 B31 -64.0(4) . . . . ?
C3 B24 B25 B31 -99.7(4) . . . . ?
B30 B24 B25 B31 32.3(3) . . . . ?
B29 B24 B25 B31 -0.6(4) . . . . ?
C4 C3 B26 B27 -34.1(3) . . . . ?
B25 C3 B26 B27 100.6(4) . . . . ?
B23 C3 B26 B27 3.1(4) . . . . ?
B24 C3 B26 B27 66.0(4) . . . . ?
S3 C3 B26 B27 -155.6(3) . . . . ?
C4 C3 B26 B25 -134.7(3) . . . . ?
B23 C3 B26 B25 -97.5(4) . . . . ?
B24 C3 B26 B25 -34.6(3) . . . . ?
S3 C3 B26 B25 103.8(3) . . . . ?
B25 C3 B26 C4 134.7(3) . . . . ?
B23 C3 B26 C4 37.2(3) . . . . ?
B24 C3 B26 C4 100.1(4) . . . . ?
S3 C3 B26 C4 -121.5(3) . . . . ?
C4 C3 B26 B31 -96.7(3) . . . . ?
B25 C3 B26 B31 38.0(3) . . . . ?
B23 C3 B26 B31 -59.5(4) . . . . ?
B24 C3 B26 B31 3.4(4) . . . . ?
S3 C3 B26 B31 141.8(3) . . . . ?
B24 B25 B26 C3 35.2(3) . . . . ?
B30 B25 B26 C3 101.6(4) . . . . ?
B31 B25 B26 C3 136.4(4) . . . . ?
C3 B25 B26 B27 -99.1(4) . . . . ?
B24 B25 B26 B27 -63.8(5) . . . . ?
B30 B25 B26 B27 2.5(5) . . . . ?
B31 B25 B26 B27 37.3(3) . . . . ?
C3 B25 B26 C4 -36.3(3) . . . . ?
B24 B25 B26 C4 -1.0(4) . . . . ?
B30 B25 B26 C4 65.3(4) . . . . ?
B31 B25 B26 C4 100.1(3) . . . . ?
C3 B25 B26 B31 -136.4(4) . . . . ?
B24 B25 B26 B31 -101.1(4) . . . . ?
B30 B25 B26 B31 -34.8(3) . . . . ?
B23 C4 B26 C3 -36.9(3) . . . . ?
B28 C4 B26 C3 -104.0(3) . . . . ?
B27 C4 B26 C3 -142.3(3) . . . . ?
C3 C4 B26 B27 142.3(3) . . . . ?
B23 C4 B26 B27 105.4(4) . . . . ?
B28 C4 B26 B27 38.3(3) . . . . ?
C3 C4 B26 B25 36.9(3) . . . . ?
B23 C4 B26 B25 0.0(4) . . . . ?
B28 C4 B26 B25 -67.1(4) . . . . ?
B27 C4 B26 B25 -105.4(3) . . . . ?
C3 C4 B26 B31 98.1(3) . . . . ?
B23 C4 B26 B31 61.2(4) . . . . ?
B28 C4 B26 B31 -5.9(4) . . . . ?
B27 C4 B26 B31 -44.3(3) . . . . ?
C3 B26 B27 B32 -62.1(4) . . . . ?
B25 B26 B27 B32 -2.6(5) . . . . ?
C4 B26 B27 B32 -93.8(4) . . . . ?
B31 B26 B27 B32 34.7(3) . . . . ?
C3 B26 B27 B31 -96.8(4) . . . . ?
B25 B26 B27 B31 -37.3(3) . . . . ?
C4 B26 B27 B31 -128.5(3) . . . . ?
C3 B26 B27 C4 31.7(3) . . . . ?
B25 B26 B27 C4 91.2(4) . . . . ?
B31 B26 B27 C4 128.5(3) . . . . ?
C3 B26 B27 B28 -1.7(4) . . . . ?
B25 B26 B27 B28 57.8(4) . . . . ?
C4 B26 B27 B28 -33.4(3) . . . . ?
B31 B26 B27 B28 95.1(3) . . . . ?
C3 C4 B27 B32 72.1(4) . . . . ?
B23 C4 B27 B32 6.0(4) . . . . ?
B28 C4 B27 B32 -34.2(3) . . . . ?
B26 C4 B27 B32 105.3(3) . . . . ?
C3 C4 B27 B26 -33.3(3) . . . . ?
B23 C4 B27 B26 -99.3(4) . . . . ?
B28 C4 B27 B26 -139.6(3) . . . . ?
C3 C4 B27 B31 12.2(4) . . . . ?
B23 C4 B27 B31 -53.9(4) . . . . ?
B28 C4 B27 B31 -94.1(3) . . . . ?
B26 C4 B27 B31 45.5(3) . . . . ?
C3 C4 B27 B28 106.3(3) . . . . ?
B23 C4 B27 B28 40.2(3) . . . . ?
B26 C4 B27 B28 139.6(3) . . . . ?
C3 C4 B28 B29 1.5(5) . . . . ?
B23 C4 B28 B29 -37.1(4) . . . . ?
B26 C4 B28 B29 65.1(4) . . . . ?
B27 C4 B28 B29 100.9(4) . . . . ?
C3 C4 B28 B32 -64.7(4) . . . . ?
B23 C4 B28 B32 -103.3(4) . . . . ?
B26 C4 B28 B32 -1.1(4) . . . . ?
B27 C4 B28 B32 34.7(3) . . . . ?
C3 C4 B28 B23 38.7(3) . . . . ?
B26 C4 B28 B23 102.2(4) . . . . ?
B27 C4 B28 B23 138.0(3) . . . . ?
C3 C4 B28 B27 -99.4(4) . . . . ?
B23 C4 B28 B27 -138.0(3) . . . . ?
B26 C4 B28 B27 -35.8(3) . . . . ?
B24 B23 B28 B29 36.0(4) . . . . ?
C4 B23 B28 B29 138.3(4) . . . . ?
C3 B23 B28 B29 102.4(4) . . . . ?
B24 B23 B28 C4 -102.3(4) . . . . ?
C3 B23 B28 C4 -35.9(3) . . . . ?
B29 B23 B28 C4 -138.3(4) . . . . ?
B24 B23 B28 B32 -4.5(5) . . . . ?
C4 B23 B28 B32 97.8(4) . . . . ?
C3 B23 B28 B32 61.9(4) . . . . ?
B29 B23 B28 B32 -40.5(3) . . . . ?
B24 B23 B28 B27 -64.5(4) . . . . ?
C4 B23 B28 B27 37.8(3) . . . . ?
C3 B23 B28 B27 1.9(4) . . . . ?
B29 B23 B28 B27 -100.5(4) . . . . ?
B32 B27 B28 B29 39.7(3) . . . . ?
B26 B27 B28 B29 -63.7(4) . . . . ?
B31 B27 B28 B29 0.0(4) . . . . ?
C4 B27 B28 B29 -99.7(4) . . . . ?
B32 B27 B28 C4 139.4(4) . . . . ?
B26 B27 B28 C4 36.0(3) . . . . ?
B31 B27 B28 C4 99.7(3) . . . . ?
B26 B27 B28 B32 -103.4(4) . . . . ?
B31 B27 B28 B32 -39.7(3) . . . . ?
C4 B27 B28 B32 -139.4(4) . . . . ?
B32 B27 B28 B23 103.3(4) . . . . ?
B26 B27 B28 B23 -0.1(4) . . . . ?
B31 B27 B28 B23 63.6(4) . . . . ?
C4 B27 B28 B23 -36.1(3) . . . . ?
C4 B28 B29 B30 -62.2(5) . . . . ?
B32 B28 B29 B30 38.9(4) . . . . ?
B23 B28 B29 B30 -97.9(4) . . . . ?
B27 B28 B29 B30 2.1(5) . . . . ?
C4 B28 B29 B23 35.8(3) . . . . ?
B32 B28 B29 B23 136.9(4) . . . . ?
B27 B28 B29 B23 100.0(4) . . . . ?
C4 B28 B29 B32 -101.1(4) . . . . ?
B23 B28 B29 B32 -136.9(4) . . . . ?
B27 B28 B29 B32 -36.8(3) . . . . ?
C4 B28 B29 B24 4.3(5) . . . . ?
B32 B28 B29 B24 105.4(4) . . . . ?
B23 B28 B29 B24 -31.5(3) . . . . ?
B27 B28 B29 B24 68.6(4) . . . . ?
B24 B23 B29 B30 -37.4(4) . . . . ?
C4 B23 B29 B30 68.5(4) . . . . ?
C3 B23 B29 B30 6.8(5) . . . . ?
B28 B23 B29 B30 105.4(4) . . . . ?
B24 B23 B29 B28 -142.8(4) . . . . ?
C4 B23 B29 B28 -36.9(3) . . . . ?
C3 B23 B29 B28 -98.5(4) . . . . ?
B24 B23 B29 B32 -104.4(4) . . . . ?
C4 B23 B29 B32 1.5(4) . . . . ?
C3 B23 B29 B32 -60.1(4) . . . . ?
B28 B23 B29 B32 38.4(3) . . . . ?
C4 B23 B29 B24 105.9(4) . . . . ?
C3 B23 B29 B24 44.2(3) . . . . ?
B28 B23 B29 B24 142.8(4) . . . . ?
B23 B24 B29 B30 138.9(4) . . . . ?
B25 B24 B29 B30 35.8(3) . . . . ?
C3 B24 B29 B30 96.7(4) . . . . ?
B23 B24 B29 B28 33.9(4) . . . . ?
B25 B24 B29 B28 -69.1(4) . . . . ?
C3 B24 B29 B28 -8.3(5) . . . . ?
B30 B24 B29 B28 -104.9(4) . . . . ?
B25 B24 B29 B23 -103.1(4) . . . . ?
C3 B24 B29 B23 -42.2(3) . . . . ?
B30 B24 B29 B23 -138.9(4) . . . . ?
B23 B24 B29 B32 97.6(4) . . . . ?
B25 B24 B29 B32 -5.5(4) . . . . ?
C3 B24 B29 B32 55.4(4) . . . . ?
B30 B24 B29 B32 -41.3(3) . . . . ?
B28 B29 B30 B31 -3.6(5) . . . . ?
B23 B29 B30 B31 -68.9(5) . . . . ?
B32 B29 B30 B31 33.7(3) . . . . ?
B24 B29 B30 B31 -103.2(4) . . . . ?
B28 B29 B30 B25 64.7(5) . . . . ?
B23 B29 B30 B25 -0.6(5) . . . . ?
B32 B29 B30 B25 102.0(4) . . . . ?
B24 B29 B30 B25 -34.9(3) . . . . ?
B28 B29 B30 B24 99.6(4) . . . . ?
B23 B29 B30 B24 34.3(3) . . . . ?
B32 B29 B30 B24 136.9(3) . . . . ?
B28 B29 B30 B32 -37.3(4) . . . . ?
B23 B29 B30 B32 -102.5(4) . . . . ?
B24 B29 B30 B32 -136.9(3) . . . . ?
C3 B25 B30 B29 -6.0(5) . . . . ?
B24 B25 B30 B29 37.8(4) . . . . ?
B26 B25 B30 B29 -68.2(5) . . . . ?
B31 B25 B30 B29 -105.0(4) . . . . ?
C3 B25 B30 B31 99.1(4) . . . . ?
B24 B25 B30 B31 142.8(4) . . . . ?
B26 B25 B30 B31 36.8(3) . . . . ?
C3 B25 B30 B24 -43.8(3) . . . . ?
B26 B25 B30 B24 -106.0(4) . . . . ?
B31 B25 B30 B24 -142.8(4) . . . . ?
C3 B25 B30 B32 60.7(5) . . . . ?
B24 B25 B30 B32 104.4(4) . . . . ?
B26 B25 B30 B32 -1.6(5) . . . . ?
B31 B25 B30 B32 -38.4(3) . . . . ?
B23 B24 B30 B29 -36.2(4) . . . . ?
B25 B24 B30 B29 -139.6(4) . . . . ?
C3 B24 B30 B29 -98.8(4) . . . . ?
B23 B24 B30 B31 68.1(5) . . . . ?
B25 B24 B30 B31 -35.4(4) . . . . ?
C3 B24 B30 B31 5.5(5) . . . . ?
B29 B24 B30 B31 104.3(4) . . . . ?
B23 B24 B30 B25 103.4(4) . . . . ?
C3 B24 B30 B25 40.8(3) . . . . ?
B29 B24 B30 B25 139.6(4) . . . . ?
B23 B24 B30 B32 4.7(5) . . . . ?
B25 B24 B30 B32 -98.7(4) . . . . ?
C3 B24 B30 B32 -57.8(5) . . . . ?
B29 B24 B30 B32 40.9(3) . . . . ?
B29 B30 B31 B32 -35.3(4) . . . . ?
B25 B30 B31 B32 -136.5(4) . . . . ?
B24 B30 B31 B32 -103.8(4) . . . . ?
B29 B30 B31 B27 3.5(5) . . . . ?
B25 B30 B31 B27 -97.7(4) . . . . ?
B24 B30 B31 B27 -65.0(4) . . . . ?
B32 B30 B31 B27 38.8(3) . . . . ?
B29 B30 B31 B25 101.2(4) . . . . ?
B24 B30 B31 B25 32.7(3) . . . . ?
B32 B30 B31 B25 136.5(4) . . . . ?
B29 B30 B31 B26 65.0(4) . . . . ?
B25 B30 B31 B26 -36.2(3) . . . . ?
B24 B30 B31 B26 -3.6(5) . . . . ?
B32 B30 B31 B26 100.3(4) . . . . ?
B32 B27 B31 B30 -41.4(4) . . . . ?
B26 B27 B31 B30 99.3(4) . . . . ?
C4 B27 B31 B30 54.3(4) . . . . ?
B28 B27 B31 B30 -2.0(4) . . . . ?
B26 B27 B31 B32 140.7(4) . . . . ?
C4 B27 B31 B32 95.8(4) . . . . ?
B28 B27 B31 B32 39.4(3) . . . . ?
B32 B27 B31 B25 -104.4(4) . . . . ?
B26 B27 B31 B25 36.4(3) . . . . ?
C4 B27 B31 B25 -8.6(4) . . . . ?
B28 B27 B31 B25 -65.0(4) . . . . ?
B32 B27 B31 B26 -140.7(4) . . . . ?
C4 B27 B31 B26 -44.9(3) . . . . ?
B28 B27 B31 B26 -101.3(4) . . . . ?
C3 B25 B31 B30 -100.6(4) . . . . ?
B24 B25 B31 B30 -34.7(3) . . . . ?
B26 B25 B31 B30 -138.9(4) . . . . ?
C3 B25 B31 B32 -59.2(4) . . . . ?
B24 B25 B31 B32 6.7(5) . . . . ?
B30 B25 B31 B32 41.4(3) . . . . ?
B26 B25 B31 B32 -97.6(4) . . . . ?
C3 B25 B31 B27 2.4(5) . . . . ?
B24 B25 B31 B27 68.3(4) . . . . ?
B30 B25 B31 B27 103.0(4) . . . . ?
B26 B25 B31 B27 -35.9(3) . . . . ?
C3 B25 B31 B26 38.3(3) . . . . ?
B24 B25 B31 B26 104.3(4) . . . . ?
B30 B25 B31 B26 138.9(4) . . . . ?
C3 B26 B31 B30 0.2(4) . . . . ?
B27 B26 B31 B30 -101.7(4) . . . . ?
B25 B26 B31 B30 36.6(3) . . . . ?
C4 B26 B31 B30 -56.8(4) . . . . ?
C3 B26 B31 B32 67.7(4) . . . . ?
B27 B26 B31 B32 -34.2(3) . . . . ?
B25 B26 B31 B32 104.1(4) . . . . ?
C4 B26 B31 B32 10.7(4) . . . . ?
C3 B26 B31 B27 101.9(4) . . . . ?
B25 B26 B31 B27 138.3(4) . . . . ?
C4 B26 B31 B27 44.9(3) . . . . ?
C3 B26 B31 B25 -36.4(3) . . . . ?
B27 B26 B31 B25 -138.3(4) . . . . ?
C4 B26 B31 B25 -93.4(3) . . . . ?
B30 B31 B32 B27 135.9(4) . . . . ?
B25 B31 B32 B27 96.5(4) . . . . ?
B26 B31 B32 B27 34.1(3) . . . . ?
B30 B31 B32 B28 89.6(4) . . . . ?
B27 B31 B32 B28 -46.3(3) . . . . ?
B25 B31 B32 B28 50.2(4) . . . . ?
B26 B31 B32 B28 -12.2(5) . . . . ?
B30 B31 B32 B29 30.0(3) . . . . ?
B27 B31 B32 B29 -105.9(4) . . . . ?
B25 B31 B32 B29 -9.4(4) . . . . ?
B26 B31 B32 B29 -71.8(4) . . . . ?
B27 B31 B32 B30 -135.9(4) . . . . ?
B25 B31 B32 B30 -39.4(3) . . . . ?
B26 B31 B32 B30 -101.8(4) . . . . ?
B26 B27 B32 B31 -36.2(4) . . . . ?
C4 B27 B32 B31 -99.4(3) . . . . ?
B28 B27 B32 B31 -132.5(4) . . . . ?
B26 B27 B32 B28 96.2(4) . . . . ?
B31 B27 B32 B28 132.5(4) . . . . ?
C4 B27 B32 B28 33.0(3) . . . . ?
B26 B27 B32 B29 58.5(5) . . . . ?
B31 B27 B32 B29 94.7(4) . . . . ?
C4 B27 B32 B29 -4.7(4) . . . . ?
B28 B27 B32 B29 -37.8(3) . . . . ?
B26 B27 B32 B30 1.6(5) . . . . ?
B31 B27 B32 B30 37.8(3) . . . . ?
C4 B27 B32 B30 -61.6(4) . . . . ?
B28 B27 B32 B30 -94.7(4) . . . . ?
B29 B28 B32 B31 -91.6(4) . . . . ?
C4 B28 B32 B31 8.5(5) . . . . ?
B23 B28 B32 B31 -52.3(5) . . . . ?
B27 B28 B32 B31 45.2(3) . . . . ?
B29 B28 B32 B27 -136.8(4) . . . . ?
C4 B28 B32 B27 -36.7(3) . . . . ?
B23 B28 B32 B27 -97.4(4) . . . . ?
C4 B28 B32 B29 100.1(4) . . . . ?
B23 B28 B32 B29 39.3(3) . . . . ?
B27 B28 B32 B29 136.8(4) . . . . ?
B29 B28 B32 B30 -32.6(3) . . . . ?
C4 B28 B32 B30 67.5(4) . . . . ?
B23 B28 B32 B30 6.7(4) . . . . ?
B27 B28 B32 B30 104.2(4) . . . . ?
B30 B29 B32 B31 -31.5(3) . . . . ?
B28 B29 B32 B31 107.6(4) . . . . ?
B23 B29 B32 B31 68.4(4) . . . . ?
B24 B29 B32 B31 9.3(4) . . . . ?
B30 B29 B32 B27 -97.5(4) . . . . ?
B28 B29 B32 B27 41.6(3) . . . . ?
B23 B29 B32 B27 2.3(5) . . . . ?
B24 B29 B32 B27 -56.8(4) . . . . ?
B30 B29 B32 B28 -139.1(4) . . . . ?
B23 B29 B32 B28 -39.3(3) . . . . ?
B24 B29 B32 B28 -98.3(4) . . . . ?
B28 B29 B32 B30 139.1(4) . . . . ?
B23 B29 B32 B30 99.8(4) . . . . ?
B24 B29 B32 B30 40.7(3) . . . . ?
B29 B30 B32 B31 142.7(4) . . . . ?
B25 B30 B32 B31 40.7(4) . . . . ?
B24 B30 B32 B31 101.5(4) . . . . ?
B29 B30 B32 B27 102.1(4) . . . . ?
B31 B30 B32 B27 -40.7(3) . . . . ?
B25 B30 B32 B27 0.0(5) . . . . ?
B24 B30 B32 B27 60.8(5) . . . . ?
B29 B30 B32 B28 34.2(3) . . . . ?
B31 B30 B32 B28 -108.6(4) . . . . ?
B25 B30 B32 B28 -67.9(4) . . . . ?
B24 B30 B32 B28 -7.1(5) . . . . ?
B31 B30 B32 B29 -142.7(4) . . . . ?
B25 B30 B32 B29 -102.0(4) . . . . ?
B24 B30 B32 B29 -41.3(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.061


