# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_40107-257_another_isomer_b
_database_code_depnum_ccdc_archive 'CCDC 1451729'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-04-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C122 H74 B2 F48 Pd4'
_chemical_formula_moiety         'C122 H74 B2 F48 Pd4'
_chemical_formula_weight         2899.07
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   13.2706(7)
_cell_length_b                   15.2693(9)
_cell_length_c                   16.3133(9)
_cell_angle_alpha                101.4372(12)
_cell_angle_beta                 110.5262(11)
_cell_angle_gamma                102.2713(12)
_cell_volume                     2887.5(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    20764
_cell_measurement_theta_min      3.11
_cell_measurement_theta_max      27.45
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432.00
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_T_max  0.895

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            53156
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             13176
_reflns_number_gt                9536
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0723
_refine_ls_wR_factor_ref         0.1887
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         13176
_refine_ls_number_parameters     793
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0824P)²+5.5259P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.660
_refine_diff_density_min         -2.600
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Pd1 Pd 0.38823(3) 0.28170(3) 0.57424(3) 0.03512(13) Uani 1.0 2 d . . .
Pd2 Pd 0.45749(3) 0.43126(2) 0.52745(2) 0.03053(12) Uani 1.0 2 d . . .
F1 F -0.2195(7) 0.2819(5) -0.1765(4) 0.172(4) Uani 1.0 2 d . . .
F2 F -0.0583(5) 0.3652(6) -0.1291(3) 0.138(3) Uani 1.0 2 d . . .
F3 F -0.1865(7) 0.4202(6) -0.1678(4) 0.146(3) Uani 1.0 2 d . . .
F4 F -0.3400(5) 0.5355(4) 0.0488(3) 0.0930(16) Uani 1.0 2 d . . .
F5 F -0.1947(5) 0.6018(5) 0.1702(7) 0.199(5) Uani 1.0 2 d . . .
F6 F -0.3142(7) 0.4915(6) 0.1625(5) 0.144(3) Uani 1.0 2 d . . .
F7 F 0.1389(3) 0.6691(3) 0.3465(3) 0.0495(8) Uani 1.0 2 d . . .
F8 F 0.2972(3) 0.6405(3) 0.3814(3) 0.0490(8) Uani 1.0 2 d . . .
F9 F 0.2472(3) 0.6941(3) 0.4879(2) 0.0508(8) Uani 1.0 2 d . . .
F10 F 0.0002(4) 0.3423(4) 0.5370(3) 0.0806(14) Uani 1.0 2 d . . .
F11 F 0.1604(4) 0.3298(4) 0.5626(4) 0.0978(18) Uani 1.0 2 d . . .
F12 F 0.1398(7) 0.4581(4) 0.6212(3) 0.135(3) Uani 1.0 2 d . . .
F13 F -0.3502(5) 0.2676(5) 0.3086(5) 0.124(3) Uani 1.0 2 d . . .
F14 F -0.4740(4) 0.1363(6) 0.2308(4) 0.194(5) Uani 1.0 2 d . . .
F15 F -0.3293(6) 0.1536(5) 0.3457(4) 0.126(3) Uani 1.0 2 d . . .
F16 F -0.3500(4) -0.0071(3) -0.0670(3) 0.0689(11) Uani 1.0 2 d . . .
F17 F -0.4084(4) -0.0858(3) 0.0092(3) 0.0843(15) Uani 1.0 2 d . . .
F18 F -0.2383(4) -0.0624(3) 0.0216(3) 0.0795(13) Uani 1.0 2 d . . .
F19 F 0.3252(3) 0.4193(3) 0.1255(2) 0.0448(8) Uani 1.0 2 d . . .
F20 F 0.2876(5) 0.2926(3) 0.0214(3) 0.0888(16) Uani 1.0 2 d . . .
F21 F 0.4224(4) 0.3256(3) 0.1530(4) 0.0719(12) Uani 1.0 2 d . . .
F22 F 0.1167(4) -0.0203(3) 0.1238(3) 0.0775(13) Uani 1.0 2 d . . .
F23 F 0.2838(4) 0.0454(3) 0.2267(3) 0.0634(10) Uani 1.0 2 d . . .
F24 F 0.1454(4) 0.0329(3) 0.2647(3) 0.0660(11) Uani 1.0 2 d . . .
C1 C -0.1569(9) -0.1549(8) 0.2254(6) 0.089(3) Uani 1.0 2 d . . .
C2 C -0.0552(8) -0.1652(7) 0.2765(6) 0.092(3) Uani 1.0 2 d . . .
C3 C 0.0242(7) -0.0932(7) 0.3529(6) 0.079(3) Uani 1.0 2 d . . .
C4 C 0.0020(6) -0.0082(6) 0.3792(5) 0.0587(18) Uani 1.0 2 d . . .
C5 C -0.1008(7) 0.0034(7) 0.3304(6) 0.086(3) Uani 1.0 2 d . . .
C6 C -0.1811(7) -0.0730(8) 0.2515(6) 0.082(3) Uani 1.0 2 d . . .
C7 C 0.0853(6) 0.0712(5) 0.4624(5) 0.0591(17) Uani 1.0 2 d . . .
C8 C 0.1956(5) 0.0832(5) 0.5027(4) 0.0488(14) Uani 1.0 2 d . . .
C9 C 0.2712(5) 0.1527(4) 0.5889(4) 0.0457(13) Uani 1.0 2 d . . .
C10 C 0.3847(5) 0.1609(4) 0.6347(4) 0.0430(13) Uani 1.0 2 d . . .
C11 C 0.4480(5) 0.2057(4) 0.7354(4) 0.0436(13) Uani 1.0 2 d . . .
C12 C 0.4944(6) 0.1544(5) 0.7925(5) 0.0565(16) Uani 1.0 2 d . . .
C13 C 0.5376(6) 0.1917(5) 0.8868(5) 0.0606(18) Uani 1.0 2 d . . .
C14 C 0.5336(6) 0.2789(6) 0.9254(5) 0.0618(19) Uani 1.0 2 d . . .
C15 C 0.4916(6) 0.3328(5) 0.8697(4) 0.0512(15) Uani 1.0 2 d . . .
C16 C 0.4526(5) 0.2972(4) 0.7751(4) 0.0419(13) Uani 1.0 2 d . . .
C17 C 0.4218(5) 0.3590(4) 0.7155(4) 0.0385(12) Uani 1.0 2 d . . .
C18 C 0.5040(5) 0.4143(4) 0.6978(4) 0.0369(12) Uani 1.0 2 d . . .
C19 C 0.4985(5) 0.4961(4) 0.6672(3) 0.0342(11) Uani 1.0 2 d . . .
C20 C 0.5855(5) 0.5433(4) 0.6482(3) 0.0338(11) Uani 1.0 2 d . . .
C21 C 0.5968(5) 0.6288(4) 0.6200(3) 0.0329(11) Uani 1.0 2 d . . .
C22 C 0.6950(5) 0.6646(4) 0.6052(4) 0.0340(11) Uani 1.0 2 d . . .
C23 C 0.7151(5) 0.7493(4) 0.5842(3) 0.0342(11) Uani 1.0 2 d . . .
C24 C 0.6343(5) 0.7972(4) 0.5695(4) 0.0376(12) Uani 1.0 2 d . . .
C25 C 0.5314(4) 0.7567(4) 0.5774(4) 0.0351(11) Uani 1.0 2 d . . .
C26 C 0.5152(5) 0.6771(4) 0.6039(4) 0.0358(11) Uani 1.0 2 d . . .
C27 C -0.0841(4) 0.3567(4) 0.1213(3) 0.0313(10) Uani 1.0 2 d . . .
C28 C -0.0909(4) 0.3386(4) 0.0311(3) 0.0349(11) Uani 1.0 2 d . . .
C29 C -0.1475(5) 0.3828(4) -0.0299(4) 0.0391(12) Uani 1.0 2 d . . .
C30 C -0.2013(5) 0.4443(4) -0.0042(4) 0.0449(13) Uani 1.0 2 d . . .
C31 C -0.1986(5) 0.4610(4) 0.0840(4) 0.0440(13) Uani 1.0 2 d . . .
C32 C -0.1402(5) 0.4186(4) 0.1443(4) 0.0388(12) Uani 1.0 2 d . . .
C33 C -0.1529(5) 0.3602(5) -0.1243(4) 0.0493(15) Uani 1.0 2 d . . .
C34 C -0.2569(7) 0.5263(6) 0.1144(5) 0.067(2) Uani 1.0 2 d . . .
C35 C 0.0352(4) 0.3766(4) 0.2971(3) 0.0294(10) Uani 1.0 2 d . . .
C36 C 0.0929(4) 0.4706(4) 0.3107(3) 0.0301(10) Uani 1.0 2 d . . .
C37 C 0.1518(4) 0.5364(4) 0.3971(4) 0.0327(11) Uani 1.0 2 d . . .
C38 C 0.1542(5) 0.5108(4) 0.4747(4) 0.0372(12) Uani 1.0 2 d . . .
C39 C 0.0989(4) 0.4181(4) 0.4641(4) 0.0350(11) Uani 1.0 2 d . . .
C40 C 0.0415(4) 0.3529(4) 0.3773(3) 0.0323(11) Uani 1.0 2 d . . .
C41 C 0.2079(5) 0.6348(4) 0.4037(4) 0.0402(12) Uani 1.0 2 d . . .
C42 C 0.1013(5) 0.3876(5) 0.5461(4) 0.0460(14) Uani 1.0 2 d . . .
C43 C -0.1401(4) 0.2183(4) 0.1801(3) 0.0324(11) Uani 1.0 2 d . . .
C44 C -0.2049(5) 0.2315(4) 0.2298(4) 0.0386(12) Uani 1.0 2 d . . .
C45 C -0.3054(5) 0.1631(5) 0.2109(4) 0.0465(14) Uani 1.0 2 d . . .
C46 C -0.3449(5) 0.0799(5) 0.1416(4) 0.0461(14) Uani 1.0 2 d . . .
C47 C -0.2818(5) 0.0658(4) 0.0908(4) 0.0394(12) Uani 1.0 2 d . . .
C48 C -0.1817(4) 0.1343(4) 0.1101(3) 0.0330(11) Uani 1.0 2 d . . .
C49 C -0.3701(6) 0.1805(7) 0.2677(5) 0.080(3) Uani 1.0 2 d . . .
C50 C -0.3197(6) -0.0226(5) 0.0148(4) 0.0511(15) Uani 1.0 2 d . . .
C51 C 0.0682(4) 0.2594(4) 0.1763(3) 0.0304(10) Uani 1.0 2 d . . .
C52 C 0.1479(4) 0.3088(4) 0.1497(3) 0.0318(10) Uani 1.0 2 d . . .
C53 C 0.2356(5) 0.2766(4) 0.1423(4) 0.0359(11) Uani 1.0 2 d . . .
C54 C 0.2471(5) 0.1928(4) 0.1598(4) 0.0349(11) Uani 1.0 2 d . . .
C55 C 0.1700(5) 0.1429(4) 0.1848(4) 0.0359(11) Uani 1.0 2 d . . .
C56 C 0.0820(5) 0.1754(4) 0.1931(4) 0.0338(11) Uani 1.0 2 d . . .
C57 C 0.3167(5) 0.3279(4) 0.1101(4) 0.0435(13) Uani 1.0 2 d . . .
C58 C 0.1769(5) 0.0500(4) 0.1996(4) 0.0436(13) Uani 1.0 2 d . . .
C59 C 0.5877(8) 0.0656(6) 0.4983(7) 0.076(3) Uani 1.0 2 d . . .
C60 C 0.5985(8) 0.0462(6) 0.5784(7) 0.080(3) Uani 1.0 2 d . . .
C61 C 0.5117(8) -0.0192(6) 0.5804(7) 0.075(3) Uani 1.0 2 d . . .
B1 B -0.0290(5) 0.3022(4) 0.1941(4) 0.0303(11) Uani 1.0 2 d . . .
H1 H -0.2104 -0.2041 0.1722 0.1069 Uiso 1.0 2 calc R . .
H2 H -0.0394 -0.2222 0.2591 0.1105 Uiso 1.0 2 calc R . .
H3 H 0.0940 -0.1012 0.3878 0.0943 Uiso 1.0 2 calc R . .
H5 H -0.1175 0.0597 0.3485 0.1038 Uiso 1.0 2 calc R . .
H6 H -0.2521 -0.0669 0.2167 0.0982 Uiso 1.0 2 calc R . .
H7 H 0.0570 0.1165 0.4882 0.0709 Uiso 1.0 2 calc R . .
H8 H 0.2264 0.0435 0.4728 0.0585 Uiso 1.0 2 calc R . .
H9 H 0.2415 0.1957 0.6163 0.0549 Uiso 1.0 2 calc R . .
H10 H 0.4231 0.1371 0.6005 0.0516 Uiso 1.0 2 calc R . .
H12 H 0.4962 0.0936 0.7664 0.0678 Uiso 1.0 2 calc R . .
H13 H 0.5703 0.1568 0.9252 0.0728 Uiso 1.0 2 calc R . .
H14 H 0.5595 0.3025 0.9900 0.0742 Uiso 1.0 2 calc R . .
H15 H 0.4896 0.3934 0.8962 0.0614 Uiso 1.0 2 calc R . .
H17 H 0.3460 0.3602 0.6901 0.0462 Uiso 1.0 2 calc R . .
H18 H 0.5706 0.3966 0.7067 0.0443 Uiso 1.0 2 calc R . .
H19 H 0.4349 0.5180 0.6599 0.0411 Uiso 1.0 2 calc R . .
H20 H 0.6452 0.5165 0.6543 0.0406 Uiso 1.0 2 calc R . .
H22 H 0.7477 0.6304 0.6096 0.0408 Uiso 1.0 2 calc R . .
H23 H 0.7843 0.7747 0.5799 0.0411 Uiso 1.0 2 calc R . .
H24 H 0.6472 0.8546 0.5548 0.0451 Uiso 1.0 2 calc R . .
H25 H 0.4734 0.7857 0.5639 0.0422 Uiso 1.0 2 calc R . .
H26 H 0.4478 0.6539 0.6116 0.0430 Uiso 1.0 2 calc R . .
H28 H -0.0563 0.2954 0.0111 0.0419 Uiso 1.0 2 calc R . .
H30 H -0.2393 0.4745 -0.0454 0.0538 Uiso 1.0 2 calc R . .
H32 H -0.1383 0.4324 0.2043 0.0465 Uiso 1.0 2 calc R . .
H36 H 0.0916 0.4900 0.2585 0.0361 Uiso 1.0 2 calc R . .
H38 H 0.1928 0.5555 0.5338 0.0446 Uiso 1.0 2 calc R . .
H40 H 0.0053 0.2901 0.3722 0.0388 Uiso 1.0 2 calc R . .
H44 H -0.1802 0.2884 0.2777 0.0464 Uiso 1.0 2 calc R . .
H46 H -0.4131 0.0335 0.1290 0.0553 Uiso 1.0 2 calc R . .
H48 H -0.1403 0.1231 0.0740 0.0396 Uiso 1.0 2 calc R . .
H52 H 0.1414 0.3657 0.1365 0.0381 Uiso 1.0 2 calc R . .
H54 H 0.3070 0.1707 0.1545 0.0419 Uiso 1.0 2 calc R . .
H56 H 0.0300 0.1392 0.2106 0.0405 Uiso 1.0 2 calc R . .
H59 H 0.6476 0.1106 0.4961 0.0912 Uiso 1.0 2 calc R . .
H60 H 0.6657 0.0779 0.6324 0.0960 Uiso 1.0 2 calc R . .
H61 H 0.5193 -0.0331 0.6361 0.0899 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pd1 Pd2 2.6332(6) yes . .
Pd1 C9 2.345(7) yes . .
Pd1 C10 2.257(7) yes . .
Pd1 C17 2.210(6) yes . .
Pd1 C18 2.326(5) yes . .
Pd1 C23 2.354(5) yes . 2_666
Pd1 C24 2.297(6) yes . 2_666
Pd2 Pd2 2.6324(5) yes . 2_666
Pd2 C19 2.116(5) yes . .
Pd2 C20 2.185(4) yes . .
Pd2 C21 2.186(5) yes . 2_666
Pd2 C22 2.309(4) yes . 2_666
F1 C33 1.246(8) yes . .
F2 C33 1.273(10) yes . .
F3 C33 1.323(11) yes . .
F4 C34 1.294(10) yes . .
F5 C34 1.221(9) yes . .
F6 C34 1.375(14) yes . .
F7 C41 1.335(7) yes . .
F8 C41 1.347(8) yes . .
F9 C41 1.334(6) yes . .
F10 C42 1.313(8) yes . .
F11 C42 1.306(10) yes . .
F12 C42 1.313(7) yes . .
F13 C49 1.288(11) yes . .
F14 C49 1.258(8) yes . .
F15 C49 1.379(11) yes . .
F16 C50 1.338(8) yes . .
F17 C50 1.317(8) yes . .
F18 C50 1.330(10) yes . .
F19 C57 1.340(7) yes . .
F20 C57 1.320(8) yes . .
F21 C57 1.341(8) yes . .
F22 C58 1.317(6) yes . .
F23 C58 1.351(8) yes . .
F24 C58 1.322(9) yes . .
C1 C2 1.376(15) yes . .
C1 C6 1.380(17) yes . .
C2 C3 1.384(10) yes . .
C3 C4 1.409(13) yes . .
C4 C5 1.387(12) yes . .
C4 C7 1.503(8) yes . .
C5 C6 1.438(10) yes . .
C7 C8 1.331(10) yes . .
C8 C9 1.441(7) yes . .
C9 C10 1.391(9) yes . .
C10 C11 1.488(8) yes . .
C11 C12 1.397(11) yes . .
C11 C16 1.397(9) yes . .
C12 C13 1.384(10) yes . .
C13 C14 1.377(11) yes . .
C14 C15 1.396(11) yes . .
C15 C16 1.390(8) yes . .
C16 C17 1.501(9) yes . .
C17 C18 1.383(9) yes . .
C18 C19 1.441(9) yes . .
C19 C20 1.391(9) yes . .
C20 C21 1.464(8) yes . .
C21 C22 1.423(9) yes . .
C21 C26 1.416(9) yes . .
C22 C23 1.398(8) yes . .
C23 C24 1.401(9) yes . .
C24 C25 1.435(9) yes . .
C25 C26 1.368(9) yes . .
C27 C28 1.409(8) yes . .
C27 C32 1.394(9) yes . .
C27 B1 1.637(9) yes . .
C28 C29 1.403(9) yes . .
C29 C30 1.380(10) yes . .
C29 C33 1.483(9) yes . .
C30 C31 1.396(9) yes . .
C31 C32 1.385(9) yes . .
C31 C34 1.497(12) yes . .
C35 C36 1.409(7) yes . .
C35 C40 1.405(8) yes . .
C35 B1 1.634(7) yes . .
C36 C37 1.392(6) yes . .
C37 C38 1.390(9) yes . .
C37 C41 1.493(8) yes . .
C38 C39 1.394(8) yes . .
C39 C40 1.391(6) yes . .
C39 C42 1.495(9) yes . .
C43 C44 1.391(9) yes . .
C43 C48 1.390(7) yes . .
C43 B1 1.647(8) yes . .
C44 C45 1.399(8) yes . .
C45 C46 1.379(8) yes . .
C45 C49 1.490(12) yes . .
C46 C47 1.388(10) yes . .
C47 C48 1.394(8) yes . .
C47 C50 1.491(8) yes . .
C51 C52 1.410(8) yes . .
C51 C56 1.400(8) yes . .
C51 B1 1.649(9) yes . .
C52 C53 1.388(9) yes . .
C53 C54 1.394(9) yes . .
C53 C57 1.500(10) yes . .
C54 C55 1.371(9) yes . .
C55 C56 1.399(9) yes . .
C55 C58 1.501(9) yes . .
C59 C60 1.361(16) yes . .
C59 C61 1.395(11) yes . 2_656
C60 C61 1.370(14) yes . .
C1 H1 0.950 no . .
C2 H2 0.950 no . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C17 H17 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C22 H22 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C25 H25 0.950 no . .
C26 H26 0.950 no . .
C28 H28 0.950 no . .
C30 H30 0.950 no . .
C32 H32 0.950 no . .
C36 H36 0.950 no . .
C38 H38 0.950 no . .
C40 H40 0.950 no . .
C44 H44 0.950 no . .
C46 H46 0.950 no . .
C48 H48 0.950 no . .
C52 H52 0.950 no . .
C54 H54 0.950 no . .
C56 H56 0.950 no . .
C59 H59 0.950 no . .
C60 H60 0.950 no . .
C61 H61 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Pd2 Pd1 C9 161.94(16) yes . . .
Pd2 Pd1 C10 162.94(15) yes . . .
Pd2 Pd1 C17 95.82(16) yes . . .
Pd2 Pd1 C18 65.80(15) yes . . .
Pd2 Pd1 C23 71.62(13) yes . . 2_666
Pd2 Pd1 C24 83.35(15) yes . . 2_666
C9 Pd1 C10 35.1(3) yes . . .
C9 Pd1 C17 88.1(3) yes . . .
C9 Pd1 C18 122.4(3) yes . . .
C9 Pd1 C23 95.90(19) yes . . 2_666
C9 Pd1 C24 93.8(2) yes . . 2_666
C10 Pd1 C17 81.3(3) yes . . .
C10 Pd1 C18 104.93(19) yes . . .
C10 Pd1 C23 118.99(18) yes . . 2_666
C10 Pd1 C24 98.5(3) yes . . 2_666
C17 Pd1 C18 35.4(3) yes . . .
C17 Pd1 C23 147.9(3) yes . . 2_666
C17 Pd1 C24 176.3(2) yes . . 2_666
C18 Pd1 C23 136.1(2) yes . . 2_666
C18 Pd1 C24 141.9(3) yes . . 2_666
C23 Pd1 C24 35.0(3) yes 2_666 . 2_666
Pd1 Pd2 Pd2 172.41(3) yes . . 2_666
Pd1 Pd2 C19 80.63(15) yes . . .
Pd1 Pd2 C20 110.25(16) yes . . .
Pd1 Pd2 C21 101.44(15) yes . . 2_666
Pd1 Pd2 C22 76.99(15) yes . . 2_666
Pd2 Pd2 C19 103.85(15) yes 2_666 . .
Pd2 Pd2 C20 71.63(16) yes 2_666 . .
Pd2 Pd2 C21 74.67(14) yes 2_666 . 2_666
Pd2 Pd2 C22 102.37(15) yes 2_666 . 2_666
C19 Pd2 C20 37.7(3) yes . . .
C19 Pd2 C21 174.6(3) yes . . 2_666
C19 Pd2 C22 140.5(3) yes . . 2_666
C20 Pd2 C21 143.4(2) yes . . 2_666
C20 Pd2 C22 168.7(3) yes . . 2_666
C21 Pd2 C22 36.8(2) yes 2_666 . 2_666
C2 C1 C6 119.8(8) yes . . .
C1 C2 C3 120.6(10) yes . . .
C2 C3 C4 120.3(9) yes . . .
C3 C4 C5 120.4(6) yes . . .
C3 C4 C7 122.1(7) yes . . .
C5 C4 C7 117.4(8) yes . . .
C4 C5 C6 117.5(9) yes . . .
C1 C6 C5 121.2(9) yes . . .
C4 C7 C8 125.2(8) yes . . .
C7 C8 C9 124.1(7) yes . . .
Pd1 C9 C8 113.7(5) yes . . .
Pd1 C9 C10 69.0(4) yes . . .
C8 C9 C10 124.3(7) yes . . .
Pd1 C10 C9 75.9(4) yes . . .
Pd1 C10 C11 104.8(4) yes . . .
C9 C10 C11 122.3(7) yes . . .
C10 C11 C12 120.7(6) yes . . .
C10 C11 C16 120.1(6) yes . . .
C12 C11 C16 118.9(6) yes . . .
C11 C12 C13 120.3(7) yes . . .
C12 C13 C14 120.4(8) yes . . .
C13 C14 C15 120.2(7) yes . . .
C14 C15 C16 119.5(7) yes . . .
C11 C16 C15 120.4(7) yes . . .
C11 C16 C17 119.6(5) yes . . .
C15 C16 C17 119.9(6) yes . . .
Pd1 C17 C16 107.8(4) yes . . .
Pd1 C17 C18 76.9(4) yes . . .
C16 C17 C18 119.9(6) yes . . .
Pd1 C18 C17 67.7(3) yes . . .
Pd1 C18 C19 108.4(3) yes . . .
C17 C18 C19 126.4(6) yes . . .
Pd2 C19 C18 97.2(4) yes . . .
Pd2 C19 C20 73.8(3) yes . . .
C18 C19 C20 120.5(6) yes . . .
Pd2 C20 C19 68.5(3) yes . . .
Pd2 C20 C21 105.9(3) yes . . .
C19 C20 C21 128.3(6) yes . . .
Pd2 C21 C20 100.4(3) yes 2_666 . .
Pd2 C21 C22 76.3(3) yes 2_666 . .
Pd2 C21 C26 90.7(3) yes 2_666 . .
C20 C21 C22 118.0(6) yes . . .
C20 C21 C26 124.5(6) yes . . .
C22 C21 C26 117.5(6) yes . . .
Pd2 C22 C21 66.9(3) yes 2_666 . .
Pd2 C22 C23 101.4(3) yes 2_666 . .
C21 C22 C23 121.1(6) yes . . .
Pd1 C23 C22 108.0(3) yes 2_666 . .
Pd1 C23 C24 70.2(3) yes 2_666 . .
C22 C23 C24 120.7(6) yes . . .
Pd1 C24 C23 74.7(4) yes 2_666 . .
Pd1 C24 C25 105.9(3) yes 2_666 . .
C23 C24 C25 117.8(6) yes . . .
C24 C25 C26 121.4(6) yes . . .
C21 C26 C25 121.2(6) yes . . .
C28 C27 C32 115.6(5) yes . . .
C28 C27 B1 124.8(5) yes . . .
C32 C27 B1 119.2(5) yes . . .
C27 C28 C29 121.6(6) yes . . .
C28 C29 C30 121.0(6) yes . . .
C28 C29 C33 119.2(6) yes . . .
C30 C29 C33 119.8(6) yes . . .
C29 C30 C31 118.3(6) yes . . .
C30 C31 C32 120.2(7) yes . . .
C30 C31 C34 120.1(6) yes . . .
C32 C31 C34 119.7(6) yes . . .
C27 C32 C31 123.3(6) yes . . .
F1 C33 F2 106.7(8) yes . . .
F1 C33 F3 104.2(6) yes . . .
F1 C33 C29 115.0(7) yes . . .
F2 C33 F3 101.8(8) yes . . .
F2 C33 C29 114.8(5) yes . . .
F3 C33 C29 112.8(7) yes . . .
F4 C34 F5 112.2(8) yes . . .
F4 C34 F6 99.5(8) yes . . .
F4 C34 C31 115.0(6) yes . . .
F5 C34 F6 100.8(8) yes . . .
F5 C34 C31 115.5(8) yes . . .
F6 C34 C31 111.7(8) yes . . .
C36 C35 C40 115.3(4) yes . . .
C36 C35 B1 120.4(5) yes . . .
C40 C35 B1 124.2(5) yes . . .
C35 C36 C37 122.9(5) yes . . .
C36 C37 C38 120.1(5) yes . . .
C36 C37 C41 118.6(5) yes . . .
C38 C37 C41 121.2(4) yes . . .
C37 C38 C39 118.7(4) yes . . .
C38 C39 C40 120.6(6) yes . . .
C38 C39 C42 120.2(5) yes . . .
C40 C39 C42 119.2(5) yes . . .
C35 C40 C39 122.4(5) yes . . .
F7 C41 F8 105.8(5) yes . . .
F7 C41 F9 107.3(5) yes . . .
F7 C41 C37 112.3(4) yes . . .
F8 C41 F9 106.3(4) yes . . .
F8 C41 C37 111.5(5) yes . . .
F9 C41 C37 113.1(5) yes . . .
F10 C42 F11 104.9(6) yes . . .
F10 C42 F12 104.4(7) yes . . .
F10 C42 C39 112.6(5) yes . . .
F11 C42 F12 108.0(6) yes . . .
F11 C42 C39 113.1(7) yes . . .
F12 C42 C39 113.1(6) yes . . .
C44 C43 C48 116.4(5) yes . . .
C44 C43 B1 122.2(5) yes . . .
C48 C43 B1 121.1(6) yes . . .
C43 C44 C45 121.6(5) yes . . .
C44 C45 C46 121.2(6) yes . . .
C44 C45 C49 119.2(6) yes . . .
C46 C45 C49 119.6(6) yes . . .
C45 C46 C47 118.0(6) yes . . .
C46 C47 C48 120.5(5) yes . . .
C46 C47 C50 120.7(5) yes . . .
C48 C47 C50 118.9(6) yes . . .
C43 C48 C47 122.4(6) yes . . .
F13 C49 F14 112.1(9) yes . . .
F13 C49 F15 96.8(6) yes . . .
F13 C49 C45 114.9(8) yes . . .
F14 C49 F15 104.3(8) yes . . .
F14 C49 C45 116.1(6) yes . . .
F15 C49 C45 110.3(8) yes . . .
F16 C50 F17 105.5(5) yes . . .
F16 C50 F18 105.6(6) yes . . .
F16 C50 C47 111.7(6) yes . . .
F17 C50 F18 107.8(6) yes . . .
F17 C50 C47 113.4(7) yes . . .
F18 C50 C47 112.3(5) yes . . .
C52 C51 C56 115.7(6) yes . . .
C52 C51 B1 121.9(5) yes . . .
C56 C51 B1 122.2(5) yes . . .
C51 C52 C53 121.9(6) yes . . .
C52 C53 C54 120.8(6) yes . . .
C52 C53 C57 121.2(6) yes . . .
C54 C53 C57 117.9(6) yes . . .
C53 C54 C55 118.5(6) yes . . .
C54 C55 C56 120.9(6) yes . . .
C54 C55 C58 119.6(6) yes . . .
C56 C55 C58 119.4(6) yes . . .
C51 C56 C55 122.1(6) yes . . .
F19 C57 F20 106.8(6) yes . . .
F19 C57 F21 105.2(4) yes . . .
F19 C57 C53 112.7(6) yes . . .
F20 C57 F21 106.6(7) yes . . .
F20 C57 C53 112.3(5) yes . . .
F21 C57 C53 112.6(6) yes . . .
F22 C58 F23 105.6(6) yes . . .
F22 C58 F24 108.8(5) yes . . .
F22 C58 C55 112.0(5) yes . . .
F23 C58 F24 104.8(5) yes . . .
F23 C58 C55 111.9(5) yes . . .
F24 C58 C55 113.1(6) yes . . .
C60 C59 C61 119.7(9) yes . . 2_656
C59 C60 C61 119.5(8) yes . . .
C59 C61 C60 120.8(10) yes 2_656 . .
C27 B1 C35 109.0(5) yes . . .
C27 B1 C43 102.7(4) yes . . .
C27 B1 C51 114.4(5) yes . . .
C35 B1 C43 113.9(5) yes . . .
C35 B1 C51 105.4(4) yes . . .
C43 B1 C51 111.7(5) yes . . .
C2 C1 H1 120.078 no . . .
C6 C1 H1 120.078 no . . .
C1 C2 H2 119.720 no . . .
C3 C2 H2 119.725 no . . .
C2 C3 H3 119.831 no . . .
C4 C3 H3 119.833 no . . .
C4 C5 H5 121.227 no . . .
C6 C5 H5 121.231 no . . .
C1 C6 H6 119.387 no . . .
C5 C6 H6 119.377 no . . .
C4 C7 H7 117.415 no . . .
C8 C7 H7 117.413 no . . .
C7 C8 H8 117.940 no . . .
C9 C8 H8 117.942 no . . .
Pd1 C9 H9 87.326 no . . .
C8 C9 H9 117.836 no . . .
C10 C9 H9 117.840 no . . .
Pd1 C10 H10 89.286 no . . .
C9 C10 H10 118.826 no . . .
C11 C10 H10 118.825 no . . .
C11 C12 H12 119.844 no . . .
C13 C12 H12 119.829 no . . .
C12 C13 H13 119.802 no . . .
C14 C13 H13 119.794 no . . .
C13 C14 H14 119.934 no . . .
C15 C14 H14 119.915 no . . .
C14 C15 H15 120.273 no . . .
C16 C15 H15 120.266 no . . .
Pd1 C17 H17 85.461 no . . .
C16 C17 H17 120.071 no . . .
C18 C17 H17 120.069 no . . .
Pd1 C18 H18 94.076 no . . .
C17 C18 H18 116.822 no . . .
C19 C18 H18 116.825 no . . .
Pd2 C19 H19 98.864 no . . .
C18 C19 H19 119.767 no . . .
C20 C19 H19 119.760 no . . .
Pd2 C20 H20 96.152 no . . .
C19 C20 H20 115.874 no . . .
C21 C20 H20 115.872 no . . .
Pd2 C22 H22 101.398 no 2_666 . .
C21 C22 H22 119.476 no . . .
C23 C22 H22 119.459 no . . .
Pd1 C23 H23 91.668 no 2_666 . .
C22 C23 H23 119.649 no . . .
C24 C23 H23 119.663 no . . .
Pd1 C24 H24 89.447 no 2_666 . .
C23 C24 H24 121.105 no . . .
C25 C24 H24 121.106 no . . .
C24 C25 H25 119.321 no . . .
C26 C25 H25 119.324 no . . .
C21 C26 H26 119.382 no . . .
C25 C26 H26 119.380 no . . .
C27 C28 H28 119.197 no . . .
C29 C28 H28 119.203 no . . .
C29 C30 H30 120.847 no . . .
C31 C30 H30 120.832 no . . .
C27 C32 H32 118.360 no . . .
C31 C32 H32 118.364 no . . .
C35 C36 H36 118.551 no . . .
C37 C36 H36 118.551 no . . .
C37 C38 H38 120.665 no . . .
C39 C38 H38 120.681 no . . .
C35 C40 H40 118.785 no . . .
C39 C40 H40 118.776 no . . .
C43 C44 H44 119.194 no . . .
C45 C44 H44 119.204 no . . .
C45 C46 H46 121.024 no . . .
C47 C46 H46 121.023 no . . .
C43 C48 H48 118.795 no . . .
C47 C48 H48 118.801 no . . .
C51 C52 H52 119.031 no . . .
C53 C52 H52 119.038 no . . .
C53 C54 H54 120.783 no . . .
C55 C54 H54 120.765 no . . .
C51 C56 H56 118.941 no . . .
C55 C56 H56 118.925 no . . .
C60 C59 H59 120.133 no . . .
C61 C59 H59 120.136 no 2_656 . .
C59 C60 H60 120.236 no . . .
C61 C60 H60 120.256 no . . .
C59 C61 H61 119.625 no 2_656 . .
C60 C61 H61 119.615 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Pd2 Pd1 C17 C16 -148.8(3) no . . . .
Pd2 Pd1 C17 C18 -31.3(3) no . . . .
C17 Pd1 Pd2 C19 4.45(16) no . . . .
C17 Pd1 Pd2 C20 28.14(16) no . . . .
C17 Pd1 Pd2 C21 -170.45(16) no . . . 2_666
C17 Pd1 Pd2 C22 -142.76(16) no . . . 2_666
Pd2 Pd1 C18 C17 145.5(3) no . . . .
Pd2 Pd1 C18 C19 22.9(3) no . . . .
C18 Pd1 Pd2 C19 -14.78(18) no . . . .
C18 Pd1 Pd2 C20 8.90(18) no . . . .
C18 Pd1 Pd2 C21 170.31(18) no . . . 2_666
C18 Pd1 Pd2 C22 -162.00(18) no . . . 2_666
Pd2 Pd1 C23 C22 -11.8(3) no . . 2_666 2_666
Pd2 Pd1 C23 C24 105.2(2) no . . 2_666 2_666
C23 Pd1 Pd2 C19 154.16(16) no 2_666 . . .
C23 Pd1 Pd2 C20 177.84(16) no 2_666 . . .
C23 Pd1 Pd2 C21 -20.75(16) no 2_666 . . 2_666
C23 Pd1 Pd2 C22 6.95(16) no 2_666 . . 2_666
Pd2 Pd1 C24 C23 -67.2(2) no . . 2_666 2_666
Pd2 Pd1 C24 C25 47.9(3) no . . 2_666 2_666
C24 Pd1 Pd2 C19 -171.92(15) no 2_666 . . .
C24 Pd1 Pd2 C20 -148.24(15) no 2_666 . . .
C24 Pd1 Pd2 C21 13.17(15) no 2_666 . . 2_666
C24 Pd1 Pd2 C22 40.87(15) no 2_666 . . 2_666
C9 Pd1 C10 C9 0.0(3) no . . . .
C9 Pd1 C10 C11 -120.3(6) no . . . .
C10 Pd1 C9 C8 -119.4(7) no . . . .
C10 Pd1 C9 C10 0.0(3) no . . . .
C9 Pd1 C17 C16 48.9(4) no . . . .
C9 Pd1 C17 C18 166.4(3) no . . . .
C17 Pd1 C9 C8 163.1(5) no . . . .
C17 Pd1 C9 C10 -77.5(3) no . . . .
C9 Pd1 C18 C17 -16.1(4) no . . . .
C9 Pd1 C18 C19 -138.7(4) no . . . .
C18 Pd1 C9 C8 172.4(4) no . . . .
C18 Pd1 C9 C10 -68.2(4) no . . . .
C9 Pd1 C23 C22 154.8(4) no . . 2_666 2_666
C9 Pd1 C23 C24 -88.2(3) no . . 2_666 2_666
C23 Pd1 C9 C8 15.0(5) no 2_666 . . .
C23 Pd1 C9 C10 134.4(3) no 2_666 . . .
C9 Pd1 C24 C23 94.8(3) no . . 2_666 2_666
C9 Pd1 C24 C25 -150.0(4) no . . 2_666 2_666
C24 Pd1 C9 C8 -20.1(5) no 2_666 . . .
C24 Pd1 C9 C10 99.3(3) no 2_666 . . .
C10 Pd1 C17 C16 14.3(3) no . . . .
C10 Pd1 C17 C18 131.8(3) no . . . .
C17 Pd1 C10 C9 99.2(3) no . . . .
C17 Pd1 C10 C11 -21.1(4) no . . . .
C10 Pd1 C18 C17 -49.7(3) no . . . .
C10 Pd1 C18 C19 -172.3(4) no . . . .
C18 Pd1 C10 C9 125.7(3) no . . . .
C18 Pd1 C10 C11 5.5(4) no . . . .
C10 Pd1 C23 C22 -177.2(4) no . . 2_666 2_666
C10 Pd1 C23 C24 -60.2(4) no . . 2_666 2_666
C23 Pd1 C10 C9 -54.3(4) no 2_666 . . .
C23 Pd1 C10 C11 -174.6(3) no 2_666 . . .
C10 Pd1 C24 C23 129.9(3) no . . 2_666 2_666
C10 Pd1 C24 C25 -115.0(4) no . . 2_666 2_666
C24 Pd1 C10 C9 -84.5(3) no 2_666 . . .
C24 Pd1 C10 C11 155.2(4) no 2_666 . . .
C17 Pd1 C18 C17 -0.0(3) no . . . .
C17 Pd1 C18 C19 -122.6(6) no . . . .
C18 Pd1 C17 C16 -117.5(5) no . . . .
C18 Pd1 C17 C18 0.0(3) no . . . .
C17 Pd1 C23 C22 59.0(6) no . . 2_666 2_666
C17 Pd1 C23 C24 176.0(3) no . . 2_666 2_666
C23 Pd1 C17 C16 147.0(3) no 2_666 . . .
C23 Pd1 C17 C18 -95.5(4) no 2_666 . . .
C18 Pd1 C23 C22 2.8(6) no . . 2_666 2_666
C18 Pd1 C23 C24 119.8(3) no . . 2_666 2_666
C23 Pd1 C18 C17 130.3(3) no 2_666 . . .
C23 Pd1 C18 C19 7.7(6) no 2_666 . . .
C18 Pd1 C24 C23 -102.3(4) no . . 2_666 2_666
C18 Pd1 C24 C25 12.8(6) no . . 2_666 2_666
C24 Pd1 C18 C17 -175.7(3) no 2_666 . . .
C24 Pd1 C18 C19 61.7(6) no 2_666 . . .
C23 Pd1 C24 C23 0.0(3) no 2_666 . 2_666 2_666
C23 Pd1 C24 C25 115.1(5) no 2_666 . 2_666 2_666
C24 Pd1 C23 C22 -117.0(5) no 2_666 . 2_666 2_666
C24 Pd1 C23 C24 0.0(3) no 2_666 . 2_666 2_666
Pd1 Pd2 C19 C18 22.2(3) no . . . .
Pd1 Pd2 C19 C20 142.0(3) no . . . .
Pd1 Pd2 C20 C19 -40.4(3) no . . . .
Pd1 Pd2 C20 C21 -165.8(3) no . . . .
Pd1 Pd2 C21 C20 165.6(3) no . . 2_666 2_666
Pd1 Pd2 C21 C22 49.1(3) no . . 2_666 2_666
Pd1 Pd2 C21 C26 -69.1(3) no . . 2_666 2_666
Pd1 Pd2 C22 C21 -130.5(3) no . . 2_666 2_666
Pd1 Pd2 C22 C23 -11.4(3) no . . 2_666 2_666
Pd2 Pd2 C19 C18 -151.5(3) no 2_666 . . .
Pd2 Pd2 C19 C20 -31.8(3) no 2_666 . . .
C19 Pd2 Pd2 C19 180(168970) no . . 2_666 2_666
C19 Pd2 Pd2 C20 -160.16(17) no . . 2_666 2_666
C19 Pd2 Pd2 C21 5.38(17) no . . 2_666 .
C19 Pd2 Pd2 C22 29.82(17) no . . 2_666 .
Pd2 Pd2 C20 C19 147.4(3) no 2_666 . . .
Pd2 Pd2 C20 C21 21.9(3) no 2_666 . . .
C20 Pd2 Pd2 C19 160.16(18) no . . 2_666 2_666
C20 Pd2 Pd2 C20 -180(155510) no . . 2_666 2_666
C20 Pd2 Pd2 C21 -14.46(18) no . . 2_666 .
C20 Pd2 Pd2 C22 9.98(18) no . . 2_666 .
Pd2 Pd2 C21 C20 -21.1(3) no 2_666 . 2_666 2_666
Pd2 Pd2 C21 C22 -137.6(3) no 2_666 . 2_666 2_666
Pd2 Pd2 C21 C26 104.2(3) no 2_666 . 2_666 2_666
C21 Pd2 Pd2 C19 -5.38(16) no 2_666 . 2_666 2_666
C21 Pd2 Pd2 C20 14.46(16) no 2_666 . 2_666 2_666
C21 Pd2 Pd2 C21 180(168970) no 2_666 . 2_666 .
C21 Pd2 Pd2 C22 -155.56(16) no 2_666 . 2_666 .
Pd2 Pd2 C22 C21 41.8(3) no 2_666 . 2_666 2_666
Pd2 Pd2 C22 C23 160.9(3) no 2_666 . 2_666 2_666
C22 Pd2 Pd2 C19 -29.82(16) no 2_666 . 2_666 2_666
C22 Pd2 Pd2 C20 -9.98(16) no 2_666 . 2_666 2_666
C22 Pd2 Pd2 C21 155.56(16) no 2_666 . 2_666 .
C22 Pd2 Pd2 C22 180(171369) no 2_666 . 2_666 .
C19 Pd2 C20 C19 0.0(3) no . . . .
C19 Pd2 C20 C21 -125.4(6) no . . . .
C20 Pd2 C19 C18 -119.7(5) no . . . .
C20 Pd2 C19 C20 -0.0(3) no . . . .
C19 Pd2 C22 C21 172.4(3) no . . 2_666 2_666
C19 Pd2 C22 C23 -68.5(5) no . . 2_666 2_666
C22 Pd2 C19 C18 78.3(5) no 2_666 . . .
C22 Pd2 C19 C20 -162.0(3) no 2_666 . . .
C20 Pd2 C21 C20 -44.5(6) no . . 2_666 2_666
C20 Pd2 C21 C22 -161.0(3) no . . 2_666 2_666
C20 Pd2 C21 C26 80.8(5) no . . 2_666 2_666
C21 Pd2 C20 C19 171.2(3) no 2_666 . . .
C21 Pd2 C20 C21 45.8(6) no 2_666 . . .
C21 Pd2 C22 C21 0.0(3) no 2_666 . 2_666 2_666
C21 Pd2 C22 C23 119.1(5) no 2_666 . 2_666 2_666
C22 Pd2 C21 C20 116.5(5) no 2_666 . 2_666 2_666
C22 Pd2 C21 C22 0.0(3) no 2_666 . 2_666 2_666
C22 Pd2 C21 C26 -118.2(5) no 2_666 . 2_666 2_666
C2 C1 C6 C5 1.4(17) no . . . .
C6 C1 C2 C3 -1.4(17) no . . . .
C1 C2 C3 C4 -0.2(17) no . . . .
C2 C3 C4 C5 1.8(14) no . . . .
C2 C3 C4 C7 179.3(9) no . . . .
C3 C4 C5 C6 -1.8(14) no . . . .
C3 C4 C7 C8 20.8(13) no . . . .
C5 C4 C7 C8 -161.7(8) no . . . .
C7 C4 C5 C6 -179.3(7) no . . . .
C4 C5 C6 C1 0.2(15) no . . . .
C4 C7 C8 C9 -171.5(7) no . . . .
C7 C8 C9 Pd1 -105.1(8) no . . . .
C7 C8 C9 C10 175.0(7) no . . . .
Pd1 C9 C10 Pd1 0.000(13) no . . . .
Pd1 C9 C10 C11 98.8(5) no . . . .
C8 C9 C10 Pd1 105.0(7) no . . . .
C8 C9 C10 C11 -156.2(6) no . . . .
Pd1 C10 C11 C12 -159.3(5) no . . . .
Pd1 C10 C11 C16 26.8(7) no . . . .
C9 C10 C11 C12 118.2(7) no . . . .
C9 C10 C11 C16 -55.7(9) no . . . .
C10 C11 C12 C13 -170.0(6) no . . . .
C10 C11 C16 C15 167.2(6) no . . . .
C10 C11 C16 C17 -16.5(9) no . . . .
C12 C11 C16 C15 -6.8(10) no . . . .
C12 C11 C16 C17 169.5(6) no . . . .
C16 C11 C12 C13 4.0(10) no . . . .
C11 C12 C13 C14 1.2(11) no . . . .
C12 C13 C14 C15 -3.6(11) no . . . .
C13 C14 C15 C16 0.8(11) no . . . .
C14 C15 C16 C11 4.4(10) no . . . .
C14 C15 C16 C17 -171.9(6) no . . . .
C11 C16 C17 Pd1 -4.3(7) no . . . .
C11 C16 C17 C18 -89.1(6) no . . . .
C15 C16 C17 Pd1 172.0(5) no . . . .
C15 C16 C17 C18 87.2(8) no . . . .
Pd1 C17 C18 Pd1 -0.000(13) no . . . .
Pd1 C17 C18 C19 96.9(4) no . . . .
C16 C17 C18 Pd1 103.2(5) no . . . .
C16 C17 C18 C19 -159.8(5) no . . . .
Pd1 C18 C19 Pd2 -26.5(4) no . . . .
Pd1 C18 C19 C20 -101.9(4) no . . . .
C17 C18 C19 Pd2 -101.9(5) no . . . .
C17 C18 C19 C20 -177.3(4) no . . . .
Pd2 C19 C20 Pd2 0.000(11) no . . . .
Pd2 C19 C20 C21 93.6(4) no . . . .
C18 C19 C20 Pd2 88.9(4) no . . . .
C18 C19 C20 C21 -177.5(4) no . . . .
Pd2 C20 C21 Pd2 -25.7(4) no . . . 2_666
Pd2 C20 C21 C22 -105.7(4) no . . . .
Pd2 C20 C21 C26 72.3(5) no . . . .
C19 C20 C21 Pd2 -100.6(5) no . . . 2_666
C19 C20 C21 C22 179.5(4) no . . . .
C19 C20 C21 C26 -2.5(7) no . . . .
Pd2 C21 C22 Pd2 0.0 no 2_666 . . 2_666
Pd2 C21 C22 C23 89.7(4) no 2_666 . . .
Pd2 C21 C26 C25 -76.7(4) no 2_666 . . .
C20 C21 C22 Pd2 94.7(4) no . . . 2_666
C20 C21 C22 C23 -175.7(4) no . . . .
C20 C21 C26 C25 -179.8(4) no . . . .
C22 C21 C26 C25 -1.8(6) no . . . .
C26 C21 C22 Pd2 -83.5(4) no . . . 2_666
C26 C21 C22 C23 6.2(6) no . . . .
Pd2 C22 C23 Pd1 -13.1(5) no 2_666 . . 2_666
Pd2 C22 C23 C24 64.2(5) no 2_666 . . .
C21 C22 C23 Pd1 -82.8(5) no . . . 2_666
C21 C22 C23 C24 -5.6(7) no . . . .
Pd1 C23 C24 Pd1 0.000(12) no 2_666 . . 2_666
Pd1 C23 C24 C25 100.2(4) no 2_666 . . .
C22 C23 C24 Pd1 -99.7(4) no . . . 2_666
C22 C23 C24 C25 0.5(7) no . . . .
Pd1 C24 C25 C26 84.8(5) no 2_666 . . .
C23 C24 C25 C26 4.0(7) no . . . .
C24 C25 C26 C21 -3.3(7) no . . . .
C28 C27 C32 C31 -0.5(7) no . . . .
C32 C27 C28 C29 2.0(7) no . . . .
C28 C27 B1 C35 144.2(5) no . . . .
C28 C27 B1 C43 -94.7(6) no . . . .
C28 C27 B1 C51 26.5(6) no . . . .
B1 C27 C28 C29 174.7(4) no . . . .
C32 C27 B1 C35 -43.3(6) no . . . .
C32 C27 B1 C43 77.8(5) no . . . .
C32 C27 B1 C51 -161.0(4) no . . . .
B1 C27 C32 C31 -173.6(4) no . . . .
C27 C28 C29 C30 -1.6(7) no . . . .
C27 C28 C29 C33 -179.3(4) no . . . .
C28 C29 C30 C31 -0.4(8) no . . . .
C28 C29 C33 F1 74.2(7) no . . . .
C28 C29 C33 F2 -50.3(8) no . . . .
C28 C29 C33 F3 -166.4(5) no . . . .
C30 C29 C33 F1 -103.5(7) no . . . .
C30 C29 C33 F2 132.0(6) no . . . .
C30 C29 C33 F3 15.9(7) no . . . .
C33 C29 C30 C31 177.3(5) no . . . .
C29 C30 C31 C32 1.9(8) no . . . .
C29 C30 C31 C34 -179.3(5) no . . . .
C30 C31 C32 C27 -1.5(8) no . . . .
C30 C31 C34 F4 25.2(9) no . . . .
C30 C31 C34 F5 -107.9(7) no . . . .
C30 C31 C34 F6 137.6(5) no . . . .
C32 C31 C34 F4 -156.0(6) no . . . .
C32 C31 C34 F5 70.9(9) no . . . .
C32 C31 C34 F6 -43.6(7) no . . . .
C34 C31 C32 C27 179.7(5) no . . . .
C36 C35 C40 C39 1.2(8) no . . . .
C40 C35 C36 C37 -0.4(8) no . . . .
C36 C35 B1 C27 -36.2(7) no . . . .
C36 C35 B1 C43 -150.2(5) no . . . .
C36 C35 B1 C51 87.0(6) no . . . .
B1 C35 C36 C37 -178.1(5) no . . . .
C40 C35 B1 C27 146.4(5) no . . . .
C40 C35 B1 C43 32.4(8) no . . . .
C40 C35 B1 C51 -90.4(6) no . . . .
B1 C35 C40 C39 178.7(5) no . . . .
C35 C36 C37 C38 -0.9(9) no . . . .
C35 C36 C37 C41 -178.6(5) no . . . .
C36 C37 C38 C39 1.4(9) no . . . .
C36 C37 C41 F7 49.1(8) no . . . .
C36 C37 C41 F8 -69.5(6) no . . . .
C36 C37 C41 F9 170.8(5) no . . . .
C38 C37 C41 F7 -128.7(6) no . . . .
C38 C37 C41 F8 112.7(6) no . . . .
C38 C37 C41 F9 -7.0(8) no . . . .
C41 C37 C38 C39 179.1(5) no . . . .
C37 C38 C39 C40 -0.6(9) no . . . .
C37 C38 C39 C42 179.0(5) no . . . .
C38 C39 C40 C35 -0.7(9) no . . . .
C38 C39 C42 F10 130.0(6) no . . . .
C38 C39 C42 F11 -111.3(6) no . . . .
C38 C39 C42 F12 11.9(9) no . . . .
C40 C39 C42 F10 -50.4(8) no . . . .
C40 C39 C42 F11 68.4(7) no . . . .
C40 C39 C42 F12 -168.4(5) no . . . .
C42 C39 C40 C35 179.6(5) no . . . .
C44 C43 C48 C47 -0.9(8) no . . . .
C48 C43 C44 C45 0.9(8) no . . . .
C44 C43 B1 C27 -88.6(6) no . . . .
C44 C43 B1 C35 29.1(7) no . . . .
C44 C43 B1 C51 148.3(5) no . . . .
B1 C43 C44 C45 173.5(5) no . . . .
C48 C43 B1 C27 83.7(6) no . . . .
C48 C43 B1 C35 -158.7(5) no . . . .
C48 C43 B1 C51 -39.4(7) no . . . .
B1 C43 C48 C47 -173.5(5) no . . . .
C43 C44 C45 C46 -0.5(9) no . . . .
C43 C44 C45 C49 178.9(5) no . . . .
C44 C45 C46 C47 -0.1(9) no . . . .
C44 C45 C49 F13 22.3(9) no . . . .
C44 C45 C49 F14 155.9(7) no . . . .
C44 C45 C49 F15 -85.8(8) no . . . .
C46 C45 C49 F13 -158.3(6) no . . . .
C46 C45 C49 F14 -24.7(11) no . . . .
C46 C45 C49 F15 93.5(7) no . . . .
C49 C45 C46 C47 -179.4(6) no . . . .
C45 C46 C47 C48 0.1(9) no . . . .
C45 C46 C47 C50 -179.9(5) no . . . .
C46 C47 C48 C43 0.4(9) no . . . .
C46 C47 C50 F16 112.4(7) no . . . .
C46 C47 C50 F17 -6.7(9) no . . . .
C46 C47 C50 F18 -129.2(6) no . . . .
C48 C47 C50 F16 -67.6(8) no . . . .
C48 C47 C50 F17 173.3(5) no . . . .
C48 C47 C50 F18 50.8(8) no . . . .
C50 C47 C48 C43 -179.6(5) no . . . .
C52 C51 C56 C55 0.6(6) no . . . .
C56 C51 C52 C53 -1.1(6) no . . . .
C52 C51 B1 C27 39.2(5) no . . . .
C52 C51 B1 C35 -80.5(5) no . . . .
C52 C51 B1 C43 155.3(4) no . . . .
B1 C51 C52 C53 174.5(3) no . . . .
C56 C51 B1 C27 -145.5(4) no . . . .
C56 C51 B1 C35 94.8(5) no . . . .
C56 C51 B1 C43 -29.4(6) no . . . .
B1 C51 C56 C55 -174.9(3) no . . . .
C51 C52 C53 C54 0.9(6) no . . . .
C51 C52 C53 C57 177.4(4) no . . . .
C52 C53 C54 C55 -0.2(6) no . . . .
C52 C53 C57 F19 25.1(6) no . . . .
C52 C53 C57 F20 -95.6(6) no . . . .
C52 C53 C57 F21 144.0(5) no . . . .
C54 C53 C57 F19 -158.3(4) no . . . .
C54 C53 C57 F20 81.0(6) no . . . .
C54 C53 C57 F21 -39.4(6) no . . . .
C57 C53 C54 C55 -176.8(4) no . . . .
C53 C54 C55 C56 -0.3(6) no . . . .
C53 C54 C55 C58 177.0(4) no . . . .
C54 C55 C56 C51 0.1(7) no . . . .
C54 C55 C58 F22 -90.2(6) no . . . .
C54 C55 C58 F23 28.2(7) no . . . .
C54 C55 C58 F24 146.4(5) no . . . .
C56 C55 C58 F22 87.2(7) no . . . .
C56 C55 C58 F23 -154.4(5) no . . . .
C56 C55 C58 F24 -36.3(6) no . . . .
C58 C55 C56 C51 -177.2(4) no . . . .
C60 C59 C61 C60 -0.4(15) no . . 2_656 2_656
C61 C59 C60 C61 0.4(15) no 2_656 . . .
C59 C60 C61 C59 -0.4(15) no . . . 2_656

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pd2 C25 3.097(6) no . 2_666
Pd2 C26 3.534(6) no . .
F1 C28 3.047(7) no . .
F1 C30 3.258(9) no . .
F2 C28 2.885(9) no . .
F2 C30 3.454(10) no . .
F3 C30 2.704(10) no . .
F4 C30 2.793(10) no . .
F4 C32 3.586(9) no . .
F5 C30 3.303(11) no . .
F5 C32 3.022(10) no . .
F6 C30 3.562(12) no . .
F6 C32 2.846(12) no . .
F7 C36 2.856(6) no . .
F7 C38 3.489(8) no . .
F8 C36 3.006(6) no . .
F8 C38 3.386(8) no . .
F9 C38 2.741(7) no . .
F10 C38 3.477(8) no . .
F10 C40 2.871(8) no . .
F11 C38 3.358(9) no . .
F11 C40 3.010(8) no . .
F12 C38 2.723(9) no . .
F13 C44 2.753(10) no . .
F13 C46 3.574(9) no . .
F14 C44 3.565(8) no . .
F14 C46 2.771(10) no . .
F15 C44 3.156(10) no . .
F15 C46 3.214(9) no . .
F16 C46 3.370(8) no . .
F16 C48 2.991(5) no . .
F17 C46 2.725(7) no . .
F18 C46 3.479(9) no . .
F18 C48 2.868(7) no . .
F19 C52 2.788(7) no . .
F20 C52 3.254(9) no . .
F20 C54 3.094(8) no . .
F21 C52 3.577(8) no . .
F21 C54 2.793(8) no . .
F22 C54 3.172(7) no . .
F22 C56 3.166(8) no . .
F23 C54 2.749(8) no . .
F24 C54 3.548(8) no . .
F24 C56 2.811(8) no . .
C1 C4 2.795(10) no . .
C2 C5 2.811(16) no . .
C3 C6 2.767(13) no . .
C3 C8 3.048(9) no . .
C8 C23 3.359(10) no . 2_666
C8 C24 3.284(10) no . 2_666
C9 C12 3.583(9) no . .
C9 C16 3.138(7) no . .
C11 C14 2.786(9) no . .
C11 C18 3.341(9) no . .
C12 C15 2.780(11) no . .
C13 C16 2.771(11) no . .
C15 C18 3.325(10) no . .
C19 C26 3.129(8) no . .
C21 C24 2.850(9) no . .
C22 C25 2.784(9) no . .
C23 C26 2.802(9) no . .
C27 C30 2.852(9) no . .
C27 C36 3.022(6) no . .
C27 C44 3.374(9) no . .
C27 C48 3.311(8) no . .
C27 C52 3.213(8) no . .
C28 C31 2.765(10) no . .
C28 C43 3.476(9) no . .
C28 C51 3.201(8) no . .
C28 C52 3.264(8) no . .
C29 C32 2.747(8) no . .
C32 C35 3.041(8) no . .
C32 C36 3.127(6) no . .
C32 C43 3.225(9) no . .
C32 C44 3.496(9) no . .
C35 C38 2.854(6) no . .
C35 C44 3.138(7) no . .
C35 C52 3.360(9) no . .
C35 C56 3.492(8) no . .
C36 C39 2.756(8) no . .
C36 C51 3.399(7) no . .
C37 C40 2.768(8) no . .
C40 C43 3.197(6) no . .
C40 C44 3.171(6) no . .
C40 C51 3.477(8) no . .
C43 C46 2.843(8) no . .
C43 C56 3.100(9) no . .
C44 C47 2.755(7) no . .
C45 C48 2.742(9) no . .
C48 C51 3.129(7) no . .
C48 C56 3.143(8) no . .
C51 C54 2.848(9) no . .
C52 C55 2.758(8) no . .
C53 C56 2.753(9) no . .
C59 C59 2.754(14) no . 2_656
C60 C60 2.771(11) no . 2_656
C61 C61 2.728(16) no . 2_656
Pd1 F11 3.212(6) no . .
Pd2 F8 3.575(4) no . 2_666
F1 F7 3.459(9) no . 2_565
F2 F7 3.218(6) no . 2_565
F2 C31 3.581(9) no . 2_565
F3 F7 3.291(9) no . 2_565
F3 F8 3.115(7) no . 2_565
F3 F19 3.467(11) no . 2_565
F3 C36 3.528(10) no . 2_565
F4 F19 3.117(7) no . 2_565
F4 F20 3.109(8) no . 2_565
F4 C15 3.465(7) no . 1_454
F4 C15 3.520(10) no . 2_566
F5 F12 3.567(12) no . 2_566
F5 C1 3.526(13) no . 1_565
F5 C2 3.405(11) no . 1_565
F6 F12 3.293(8) no . 2_566
F6 C17 3.576(12) no . 2_566
F7 F1 3.459(9) no . 2_565
F7 F2 3.218(6) no . 2_565
F7 F3 3.291(9) no . 2_565
F7 F10 3.083(7) no . 2_566
F8 Pd2 3.575(4) no . 2_666
F8 F3 3.115(7) no . 2_565
F8 C18 3.497(8) no . 2_666
F8 C20 3.518(8) no . 2_666
F8 C25 3.387(5) no . .
F9 F10 3.075(6) no . 2_566
F9 F13 2.991(7) no . 2_566
F9 F15 2.884(7) no . 2_566
F9 C25 3.365(6) no . .
F9 C26 3.487(7) no . .
F10 F7 3.083(7) no . 2_566
F10 F9 3.075(6) no . 2_566
F10 C37 3.313(9) no . 2_566
F10 C38 3.334(9) no . 2_566
F10 C41 3.292(9) no . 2_566
F11 Pd1 3.212(6) no . .
F11 C9 3.373(10) no . .
F11 C17 3.360(7) no . .
F11 C23 3.522(9) no . 2_666
F12 F5 3.567(12) no . 2_566
F12 F6 3.293(8) no . 2_566
F13 F9 2.991(7) no . 2_566
F13 C25 3.524(10) no . 2_566
F13 C26 3.170(10) no . 2_566
F14 F16 2.839(6) no . 2_455
F14 F17 3.515(8) no . 2_455
F14 F23 3.191(7) no . 1_455
F15 F9 2.884(7) no . 2_566
F15 C59 3.441(14) no . 1_455
F15 C61 3.528(14) no . 2_556
F16 F14 2.839(6) no . 2_455
F16 F22 3.497(8) no . 2_555
F16 F23 3.020(7) no . 2_555
F17 F14 3.515(8) no . 2_455
F17 C13 3.222(11) no . 2_556
F17 C46 3.368(7) no . 2_455
F18 F20 3.316(7) no . 2_555
F18 F22 3.582(8) no . 2_555
F18 C54 3.172(8) no . 2_555
F19 F3 3.467(11) no . 2_565
F19 F4 3.117(7) no . 2_565
F19 C18 3.157(5) no . 2_666
F19 C19 3.165(5) no . 2_666
F19 C20 3.342(6) no . 2_666
F19 C30 3.431(8) no . 2_565
F20 F4 3.109(8) no . 2_565
F20 F18 3.316(7) no . 2_555
F21 C19 3.252(7) no . 2_666
F21 C20 3.506(8) no . 2_666
F22 F16 3.497(8) no . 2_555
F22 F18 3.582(8) no . 2_555
F23 F14 3.191(7) no . 1_655
F23 F16 3.020(7) no . 2_555
F23 C24 3.346(7) no . 2_666
F23 C25 3.589(5) no . 2_666
F23 C61 3.521(10) no . 2_656
F24 C3 3.126(12) no . .
F24 C4 3.155(10) no . .
F24 C7 3.554(10) no . .
F24 C8 3.591(8) no . .
F24 C23 3.390(6) no . 2_666
F24 C24 3.323(5) no . 2_666
C1 F5 3.526(13) no . 1_545
C2 F5 3.405(11) no . 1_545
C3 F24 3.126(12) no . .
C4 F24 3.155(10) no . .
C4 C7 3.400(12) no . 2_556
C6 C9 3.536(13) no . 2_556
C7 F24 3.554(10) no . .
C7 C4 3.400(12) no . 2_556
C7 C7 3.505(12) no . 2_556
C8 F24 3.591(8) no . .
C9 F11 3.373(10) no . .
C9 C6 3.536(13) no . 2_556
C13 F17 3.222(11) no . 2_556
C14 C30 3.508(9) no . 1_656
C15 F4 3.465(7) no . 1_656
C15 F4 3.520(10) no . 2_566
C17 F6 3.576(12) no . 2_566
C17 F11 3.360(7) no . .
C18 F8 3.497(8) no . 2_666
C18 F19 3.157(5) no . 2_666
C19 F19 3.165(5) no . 2_666
C19 F21 3.252(7) no . 2_666
C20 F8 3.518(8) no . 2_666
C20 F19 3.342(6) no . 2_666
C20 F21 3.506(8) no . 2_666
C20 C53 3.562(6) no . 2_666
C21 C53 3.526(6) no . 2_666
C22 C40 3.480(9) no . 2_666
C22 C51 3.589(6) no . 2_666
C22 C56 3.531(6) no . 2_666
C23 F11 3.522(9) no . 2_666
C23 F24 3.390(6) no . 2_666
C23 C55 3.417(7) no . 2_666
C23 C56 3.455(6) no . 2_666
C24 F23 3.346(7) no . 2_666
C24 F24 3.323(5) no . 2_666
C24 C61 3.533(12) no . 1_565
C25 F8 3.387(5) no . .
C25 F9 3.365(6) no . .
C25 F13 3.524(10) no . 2_566
C25 F23 3.589(5) no . 2_666
C25 C61 3.479(11) no . 1_565
C26 F9 3.487(7) no . .
C26 F13 3.170(10) no . 2_566
C30 F19 3.431(8) no . 2_565
C30 C14 3.508(9) no . 1_454
C31 F2 3.581(9) no . 2_565
C36 F3 3.528(10) no . 2_565
C37 F10 3.313(9) no . 2_566
C38 F10 3.334(9) no . 2_566
C40 C22 3.480(9) no . 2_666
C41 F10 3.292(9) no . 2_566
C46 F17 3.368(7) no . 2_455
C51 C22 3.589(6) no . 2_666
C53 C20 3.562(6) no . 2_666
C53 C21 3.526(6) no . 2_666
C54 F18 3.172(8) no . 2_555
C55 C23 3.417(7) no . 2_666
C56 C22 3.531(6) no . 2_666
C56 C23 3.455(6) no . 2_666
C59 F15 3.441(14) no . 1_655
C61 F15 3.528(14) no . 2_556
C61 F23 3.521(10) no . 2_656
C61 C24 3.533(12) no . 1_545
C61 C25 3.479(11) no . 1_545
Pd1 H8 3.5188 no . .
Pd1 H19 3.4350 no . .
Pd1 H22 3.5887 no . 2_666
Pd1 H25 3.5064 no . 2_666
Pd2 H18 2.9924 no . .
Pd2 H20 3.1379 no . 2_666
Pd2 H23 3.5829 no . 2_666
Pd2 H26 3.4514 no . .
Pd2 H26 3.1522 no . 2_666
F1 H28 3.0012 no . .
F1 H30 3.3927 no . .
F2 H28 2.7026 no . .
F3 H30 2.3945 no . .
F4 H30 2.5346 no . .
F5 H30 3.4419 no . .
F5 H32 2.9425 no . .
F6 H32 2.5982 no . .
F7 H36 2.6476 no . .
F8 H36 2.9006 no . .
F8 H38 3.5661 no . .
F9 H38 2.4328 no . .
F10 H40 2.6776 no . .
F11 H38 3.5258 no . .
F11 H40 2.9140 no . .
F12 H38 2.4171 no . .
F13 H44 2.4480 no . .
F14 H46 2.5142 no . .
F15 H44 3.1762 no . .
F15 H46 3.3016 no . .
F16 H46 3.5533 no . .
F16 H48 2.8867 no . .
F17 H46 2.4216 no . .
F18 H48 2.6720 no . .
F19 H52 2.4838 no . .
F20 H52 3.3426 no . .
F20 H54 3.1078 no . .
F21 H54 2.5399 no . .
F22 H54 3.2461 no . .
F22 H56 3.1976 no . .
F23 H54 2.4575 no . .
F24 H56 2.5374 no . .
C1 H3 3.2517 no . .
C1 H5 3.3124 no . .
C2 H6 3.2394 no . .
C3 H1 3.2542 no . .
C3 H5 3.2915 no . .
C3 H7 3.3536 no . .
C3 H8 2.7755 no . .
C4 H2 3.2791 no . .
C4 H6 3.2733 no . .
C4 H8 2.6750 no . .
C5 H1 3.3132 no . .
C5 H3 3.2801 no . .
C5 H7 2.6288 no . .
C6 H2 3.2420 no . .
C7 H3 2.7171 no . .
C7 H5 2.6247 no . .
C7 H9 2.6453 no . .
C7 H23 2.9591 no . 2_666
C8 H3 2.7895 no . .
C8 H10 2.7167 no . .
C8 H23 2.7860 no . 2_666
C8 H24 2.6490 no . 2_666
C9 H7 2.6044 no . .
C9 H17 3.0317 no . .
C9 H23 3.0819 no . 2_666
C9 H24 2.9006 no . 2_666
C10 H8 2.6895 no . .
C10 H12 2.6751 no . .
C10 H17 3.2003 no . .
C10 H18 3.5968 no . .
C10 H24 2.9233 no . 2_666
C11 H9 2.6975 no . .
C11 H13 3.2680 no . .
C11 H15 3.2761 no . .
C11 H17 3.0491 no . .
C11 H18 3.2288 no . .
C12 H10 2.8747 no . .
C12 H14 3.2514 no . .
C13 H15 3.2608 no . .
C14 H12 3.2504 no . .
C15 H13 3.2601 no . .
C15 H17 3.0580 no . .
C15 H18 3.4159 no . .
C16 H9 2.9037 no . .
C16 H10 3.2087 no . .
C16 H12 3.2652 no . .
C16 H14 3.2642 no . .
C16 H18 2.6254 no . .
C17 H9 2.7766 no . .
C17 H10 3.5404 no . .
C17 H15 2.6643 no . .
C17 H19 2.7483 no . .
C18 H15 3.3813 no . .
C18 H20 2.5660 no . .
C19 H17 2.7559 no . .
C19 H26 2.8643 no . .
C20 H18 2.5992 no . .
C20 H22 2.6199 no . .
C20 H26 2.7379 no . .
C21 H19 2.7881 no . .
C21 H23 3.3077 no . .
C21 H25 3.2782 no . .
C22 H20 2.5773 no . .
C22 H24 3.2941 no . .
C22 H26 3.2888 no . .
C23 H8 3.4795 no . 2_666
C23 H25 3.2850 no . .
C24 H8 3.0756 no . 2_666
C24 H10 3.0375 no . 2_666
C24 H22 3.2830 no . .
C24 H26 3.2971 no . .
C25 H23 3.2926 no . .
C26 H19 2.8873 no . .
C26 H20 3.3574 no . .
C26 H22 3.2866 no . .
C26 H24 3.2981 no . .
C27 H36 2.6657 no . .
C27 H44 3.4647 no . .
C27 H48 3.3541 no . .
C27 H52 2.8861 no . .
C28 H30 3.2832 no . .
C28 H32 3.2340 no . .
C28 H36 3.5908 no . .
C28 H48 3.4735 no . .
C28 H52 2.8442 no . .
C30 H28 3.2695 no . .
C30 H32 3.2578 no . .
C32 H28 3.2364 no . .
C32 H30 3.2715 no . .
C32 H36 2.8056 no . .
C32 H44 3.3251 no . .
C33 H28 2.6307 no . .
C33 H30 2.6471 no . .
C34 H30 2.6771 no . .
C34 H32 2.6195 no . .
C35 H32 2.6870 no . .
C35 H44 2.7656 no . .
C35 H52 3.3764 no . .
C35 H56 3.5968 no . .
C36 H32 2.8048 no . .
C36 H38 3.2714 no . .
C36 H40 3.2421 no . .
C36 H52 3.3125 no . .
C38 H36 3.2581 no . .
C38 H40 3.2670 no . .
C40 H36 3.2402 no . .
C40 H38 3.2785 no . .
C40 H44 2.6556 no . .
C41 H36 2.6059 no . .
C41 H38 2.6879 no . .
C42 H38 2.6730 no . .
C42 H40 2.6221 no . .
C43 H32 3.2081 no . .
C43 H40 2.8712 no . .
C43 H56 2.7234 no . .
C44 H32 3.1584 no . .
C44 H40 2.7470 no . .
C44 H46 3.2822 no . .
C44 H48 3.2244 no . .
C46 H44 3.2680 no . .
C46 H48 3.2628 no . .
C48 H44 3.2267 no . .
C48 H46 3.2774 no . .
C48 H56 2.6865 no . .
C49 H44 2.6315 no . .
C49 H46 2.6497 no . .
C50 H46 2.6793 no . .
C50 H48 2.6139 no . .
C51 H28 2.8545 no . .
C51 H36 3.4154 no . .
C51 H40 3.5454 no . .
C51 H48 2.7768 no . .
C52 H28 2.7896 no . .
C52 H36 3.3515 no . .
C52 H54 3.2782 no . .
C52 H56 3.2445 no . .
C54 H52 3.2682 no . .
C54 H56 3.2553 no . .
C56 H48 2.7352 no . .
C56 H52 3.2436 no . .
C56 H54 3.2710 no . .
C57 H52 2.6655 no . .
C57 H54 2.6317 no . .
C58 H54 2.6447 no . .
C58 H56 2.6393 no . .
C59 H60 3.2624 no . 2_656
C59 H61 3.2154 no . .
C60 H59 3.2580 no . 2_656
C60 H61 3.2373 no . 2_656
C61 H59 3.2200 no . .
C61 H60 3.2461 no . 2_656
B1 H28 2.8562 no . .
B1 H32 2.7115 no . .
B1 H36 2.7508 no . .
B1 H40 2.8295 no . .
B1 H44 2.7914 no . .
B1 H48 2.7609 no . .
B1 H52 2.8030 no . .
B1 H56 2.7974 no . .
H1 H2 2.3235 no . .
H1 H6 2.3225 no . .
H2 H3 2.3279 no . .
H3 H8 2.3059 no . .
H5 H6 2.3965 no . .
H5 H7 2.4429 no . .
H7 H8 2.7777 no . .
H7 H9 2.4453 no . .
H7 H23 3.0523 no . 2_666
H8 H9 2.8705 no . .
H8 H10 2.5718 no . .
H8 H23 3.0817 no . 2_666
H8 H24 2.2660 no . 2_666
H9 H10 2.8167 no . .
H9 H17 2.4148 no . .
H9 H23 3.2319 no . 2_666
H10 H12 2.8030 no . .
H10 H24 2.4139 no . 2_666
H12 H13 2.3285 no . .
H13 H14 2.3235 no . .
H14 H15 2.3491 no . .
H15 H17 3.1012 no . .
H17 H18 2.8175 no . .
H17 H19 2.6666 no . .
H18 H19 2.8771 no . .
H18 H20 2.3474 no . .
H19 H20 2.8292 no . .
H19 H26 2.3550 no . .
H20 H22 2.3653 no . .
H22 H23 2.3363 no . .
H23 H24 2.3623 no . .
H24 H25 2.3916 no . .
H25 H26 2.2997 no . .
H28 H48 3.1374 no . .
H28 H52 2.5276 no . .
H32 H36 2.7420 no . .
H32 H44 2.7523 no . .
H36 H52 2.8222 no . .
H40 H44 2.3942 no . .
H40 H56 3.2994 no . .
H48 H56 2.4796 no . .
H59 H60 2.3161 no . .
H59 H61 2.3418 no . 2_656
H60 H61 2.3180 no . .
F1 H60 3.5425 no . 1_454
F2 H2 3.4986 no . 2_555
F2 H36 3.3395 no . 2_565
F3 H18 3.0499 no . 1_454
F3 H36 2.6524 no . 2_565
F3 H52 3.0986 no . 2_565
F4 H14 3.3297 no . 1_454
F4 H15 2.8008 no . 1_454
F4 H15 2.7755 no . 2_566
F5 H1 3.0100 no . 1_565
F5 H2 2.7528 no . 1_565
F5 H17 3.5692 no . 2_566
F6 H14 3.2350 no . 1_454
F6 H15 3.2048 no . 2_566
F6 H17 3.1703 no . 2_566
F7 H2 3.2608 no . 1_565
F8 H18 2.7072 no . 2_666
F8 H20 2.6848 no . 2_666
F8 H25 3.0899 no . .
F8 H26 3.5212 no . .
F9 H25 2.7244 no . .
F9 H26 2.9924 no . .
F9 H59 2.9290 no . 2_666
F10 H38 3.2659 no . 2_566
F11 H7 3.0545 no . .
F11 H9 2.6672 no . .
F11 H17 2.4790 no . .
F11 H22 3.5365 no . 2_666
F11 H23 2.9524 no . 2_666
F12 H17 3.3512 no . .
F12 H32 3.0106 no . 2_566
F13 H25 3.1872 no . 2_566
F13 H26 2.4571 no . 2_566
F13 H38 3.0575 no . 2_566
F14 H12 3.4707 no . 2_556
F14 H25 3.3217 no . 2_566
F14 H26 3.5545 no . 2_566
F14 H54 2.9397 no . 1_455
F14 H61 3.0709 no . 2_556
F15 H5 3.4058 no . .
F15 H25 2.9806 no . 2_566
F15 H59 2.7623 no . 1_455
F15 H61 2.9333 no . 2_556
F16 H13 2.9248 no . 1_454
F16 H46 2.8532 no . 2_455
F16 H54 2.8932 no . 2_555
F17 H6 3.2058 no . .
F17 H13 2.8327 no . 2_556
F17 H14 3.4905 no . 2_556
F17 H46 3.0169 no . 2_455
F17 H54 3.5377 no . 2_555
F18 H1 3.5584 no . .
F18 H6 3.2641 no . .
F18 H54 2.7319 no . 2_555
F19 H15 3.5170 no . 2_666
F19 H18 3.1550 no . 2_666
F19 H19 3.5866 no . 2_666
F19 H20 3.3876 no . 2_666
F19 H30 2.4945 no . 2_565
F20 H1 2.8818 no . 2_555
F21 H19 3.1206 no . 2_666
F21 H26 3.5319 no . 2_666
F22 H48 3.4475 no . 2_555
F23 H24 3.2907 no . 2_666
F23 H60 3.2325 no . 2_656
F23 H61 2.8540 no . 2_656
F24 H3 3.2697 no . .
F24 H8 3.1386 no . .
F24 H23 3.1858 no . 2_666
F24 H24 3.0811 no . 2_666
F24 H60 3.4546 no . 2_656
C1 H9 3.2699 no . 2_556
C2 H9 3.5003 no . 2_556
C3 H7 3.1887 no . 2_556
C4 H7 3.1755 no . 2_556
C6 H9 3.3136 no . 2_556
C7 H7 3.4818 no . 2_556
C11 H6 3.4056 no . 2_556
C12 H6 3.1463 no . 2_556
C12 H46 3.4852 no . 2_556
C12 H61 3.5929 no . .
C13 H6 3.4647 no . 2_556
C13 H46 3.3990 no . 2_556
C14 H30 3.5820 no . 1_656
C15 H1 3.5803 no . 2_556
C15 H30 3.3786 no . 1_656
C23 H56 3.5910 no . 2_666
C24 H61 3.4573 no . 1_565
C25 H59 3.4931 no . 2_666
C25 H61 3.2183 no . 1_565
C30 H14 3.3998 no . 1_454
C31 H14 3.2075 no . 1_454
C34 H14 3.4607 no . 1_454
C34 H15 3.5194 no . 2_566
C35 H22 2.7842 no . 2_666
C36 H20 3.2734 no . 2_666
C36 H22 2.9667 no . 2_666
C37 H20 3.2939 no . 2_666
C37 H22 3.1164 no . 2_666
C38 H22 3.0823 no . 2_666
C39 H22 2.8526 no . 2_666
C40 H22 2.6819 no . 2_666
C40 H23 3.3094 no . 2_666
C41 H20 3.5176 no . 2_666
C41 H25 3.5004 no . .
C42 H17 3.4428 no . .
C45 H5 3.5923 no . .
C46 H6 3.0394 no . .
C47 H6 3.1467 no . .
C47 H13 3.4660 no . 1_454
C49 H25 3.4750 no . 2_566
C49 H26 3.4491 no . 2_566
C50 H6 3.3434 no . .
C50 H46 3.4446 no . 2_455
C50 H54 3.2843 no . 2_555
C51 H22 3.3074 no . 2_666
C52 H20 3.4964 no . 2_666
C52 H22 3.5208 no . 2_666
C55 H23 3.5787 no . 2_666
C56 H22 3.5405 no . 2_666
C56 H23 3.3375 no . 2_666
C59 H8 3.2133 no . 2_656
C59 H10 3.4031 no . .
C59 H10 3.1415 no . 2_656
C59 H24 3.4777 no . 2_666
C59 H25 2.8216 no . 2_666
C60 H8 3.1983 no . 2_656
C60 H10 3.0389 no . .
C60 H10 3.5017 no . 2_656
C60 H24 3.1089 no . 1_545
C61 H10 2.8870 no . .
C61 H12 3.2761 no . .
C61 H24 2.9675 no . 1_545
C61 H25 2.8548 no . 1_545
H1 F5 3.0100 no . 1_545
H1 F18 3.5584 no . .
H1 F20 2.8818 no . 2_555
H1 C15 3.5803 no . 2_556
H1 H9 3.5965 no . 2_556
H2 F2 3.4986 no . 2_555
H2 F5 2.7528 no . 1_545
H2 F7 3.2608 no . 1_545
H3 F24 3.2697 no . .
H3 H7 3.3149 no . 2_556
H3 H59 3.3362 no . 2_656
H3 H60 3.2721 no . 2_656
H5 F15 3.4058 no . .
H5 C45 3.5923 no . .
H5 H40 3.4296 no . .
H6 F17 3.2058 no . .
H6 F18 3.2641 no . .
H6 C11 3.4056 no . 2_556
H6 C12 3.1463 no . 2_556
H6 C13 3.4647 no . 2_556
H6 C46 3.0394 no . .
H6 C47 3.1467 no . .
H6 C50 3.3434 no . .
H6 H12 3.2928 no . 2_556
H6 H46 3.0128 no . .
H7 F11 3.0545 no . .
H7 C3 3.1887 no . 2_556
H7 C4 3.1755 no . 2_556
H7 C7 3.4818 no . 2_556
H7 H3 3.3149 no . 2_556
H7 H40 3.5953 no . .
H8 F24 3.1386 no . .
H8 C59 3.2133 no . 2_656
H8 C60 3.1983 no . 2_656
H8 H59 3.1837 no . 2_656
H8 H60 3.1641 no . 2_656
H9 F11 2.6672 no . .
H9 C1 3.2699 no . 2_556
H9 C2 3.5003 no . 2_556
H9 C6 3.3136 no . 2_556
H9 H1 3.5965 no . 2_556
H10 C59 3.4031 no . .
H10 C59 3.1415 no . 2_656
H10 C60 3.0389 no . .
H10 C60 3.5017 no . 2_656
H10 C61 2.8870 no . .
H10 H59 3.5713 no . 2_656
H10 H60 3.4213 no . .
H10 H61 3.1950 no . .
H12 F14 3.4707 no . 2_556
H12 C61 3.2761 no . .
H12 H6 3.2928 no . 2_556
H12 H46 3.1012 no . 2_556
H12 H61 2.7265 no . .
H13 F16 2.9248 no . 1_656
H13 F17 2.8327 no . 2_556
H13 C47 3.4660 no . 1_656
H13 H46 2.9482 no . 2_556
H14 F4 3.3297 no . 1_656
H14 F6 3.2350 no . 1_656
H14 F17 3.4905 no . 2_556
H14 C30 3.3998 no . 1_656
H14 C31 3.2075 no . 1_656
H14 C34 3.4607 no . 1_656
H15 F4 2.8008 no . 1_656
H15 F4 2.7755 no . 2_566
H15 F6 3.2048 no . 2_566
H15 F19 3.5170 no . 2_666
H15 C34 3.5194 no . 2_566
H15 H30 3.2592 no . 1_656
H17 F5 3.5692 no . 2_566
H17 F6 3.1703 no . 2_566
H17 F11 2.4790 no . .
H17 F12 3.3512 no . .
H17 C42 3.4428 no . .
H18 F3 3.0499 no . 1_656
H18 F8 2.7072 no . 2_666
H18 F19 3.1550 no . 2_666
H19 F19 3.5866 no . 2_666
H19 F21 3.1206 no . 2_666
H19 H38 3.3906 no . .
H20 F8 2.6848 no . 2_666
H20 F19 3.3876 no . 2_666
H20 C36 3.2734 no . 2_666
H20 C37 3.2939 no . 2_666
H20 C41 3.5176 no . 2_666
H20 C52 3.4964 no . 2_666
H20 H36 3.3099 no . 2_666
H20 H52 3.3950 no . 2_666
H22 F11 3.5365 no . 2_666
H22 C35 2.7842 no . 2_666
H22 C36 2.9667 no . 2_666
H22 C37 3.1164 no . 2_666
H22 C38 3.0823 no . 2_666
H22 C39 2.8526 no . 2_666
H22 C40 2.6819 no . 2_666
H22 C51 3.3074 no . 2_666
H22 C52 3.5208 no . 2_666
H22 C56 3.5405 no . 2_666
H22 H36 3.5466 no . 2_666
H22 H40 3.1293 no . 2_666
H23 F11 2.9524 no . 2_666
H23 F24 3.1858 no . 2_666
H23 C40 3.3094 no . 2_666
H23 C55 3.5787 no . 2_666
H23 C56 3.3375 no . 2_666
H23 H40 3.0563 no . 2_666
H23 H56 3.2272 no . 2_666
H24 F23 3.2907 no . 2_666
H24 F24 3.0811 no . 2_666
H24 C59 3.4777 no . 2_666
H24 C60 3.1089 no . 1_565
H24 C61 2.9675 no . 1_565
H24 H60 3.3170 no . 1_565
H24 H61 3.0819 no . 1_565
H25 F8 3.0899 no . .
H25 F9 2.7244 no . .
H25 F13 3.1872 no . 2_566
H25 F14 3.3217 no . 2_566
H25 F15 2.9806 no . 2_566
H25 C41 3.5004 no . .
H25 C49 3.4750 no . 2_566
H25 C59 2.8216 no . 2_666
H25 C61 2.8548 no . 1_565
H25 H59 2.5764 no . 2_666
H25 H61 2.6275 no . 1_565
H26 F8 3.5212 no . .
H26 F9 2.9924 no . .
H26 F13 2.4571 no . 2_566
H26 F14 3.5545 no . 2_566
H26 F21 3.5319 no . 2_666
H26 C49 3.4491 no . 2_566
H26 H38 3.0638 no . .
H30 F19 2.4945 no . 2_565
H30 C14 3.5820 no . 1_454
H30 C15 3.3786 no . 1_454
H30 H15 3.2592 no . 1_454
H30 H52 3.3603 no . 2_565
H32 F12 3.0106 no . 2_566
H36 F2 3.3395 no . 2_565
H36 F3 2.6524 no . 2_565
H36 H20 3.3099 no . 2_666
H36 H22 3.5466 no . 2_666
H38 F10 3.2659 no . 2_566
H38 F13 3.0575 no . 2_566
H38 H19 3.3906 no . .
H38 H26 3.0638 no . .
H38 H44 3.5756 no . 2_566
H40 H5 3.4296 no . .
H40 H7 3.5953 no . .
H40 H22 3.1293 no . 2_666
H40 H23 3.0563 no . 2_666
H44 H38 3.5756 no . 2_566
H46 F16 2.8532 no . 2_455
H46 F17 3.0169 no . 2_455
H46 C12 3.4852 no . 2_556
H46 C13 3.3990 no . 2_556
H46 C50 3.4446 no . 2_455
H46 H6 3.0128 no . .
H46 H12 3.1012 no . 2_556
H46 H13 2.9482 no . 2_556
H48 F22 3.4475 no . 2_555
H52 F3 3.0986 no . 2_565
H52 H20 3.3950 no . 2_666
H52 H30 3.3603 no . 2_565
H54 F14 2.9397 no . 1_655
H54 F16 2.8932 no . 2_555
H54 F17 3.5377 no . 2_555
H54 F18 2.7319 no . 2_555
H54 C50 3.2843 no . 2_555
H56 C23 3.5910 no . 2_666
H56 H23 3.2272 no . 2_666
H59 F9 2.9290 no . 2_666
H59 F15 2.7623 no . 1_655
H59 C25 3.4931 no . 2_666
H59 H3 3.3362 no . 2_656
H59 H8 3.1837 no . 2_656
H59 H10 3.5713 no . 2_656
H59 H25 2.5764 no . 2_666
H60 F1 3.5425 no . 1_656
H60 F23 3.2325 no . 2_656
H60 F24 3.4546 no . 2_656
H60 H3 3.2721 no . 2_656
H60 H8 3.1641 no . 2_656
H60 H10 3.4213 no . .
H60 H24 3.3170 no . 1_545
H61 F14 3.0709 no . 2_556
H61 F15 2.9333 no . 2_556
H61 F23 2.8540 no . 2_656
H61 C12 3.5929 no . .
H61 C24 3.4573 no . 1_545
H61 C25 3.2183 no . 1_545
H61 H10 3.1950 no . .
H61 H12 2.7265 no . .
H61 H24 3.0819 no . 1_545
H61 H25 2.6275 no . 1_545

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_masai
_database_code_depnum_ccdc_archive 'CCDC 1451730'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-04-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C128 H78 B2 Cl2 F48 Pd4'
_chemical_formula_moiety         'C128 H78 B2 Cl2 F48 Pd4'
_chemical_formula_weight         3046.07
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.2381(6)
_cell_length_b                   15.6226(7)
_cell_length_c                   28.2509(12)
_cell_angle_alpha                81.3277(9)
_cell_angle_beta                 79.8346(9)
_cell_angle_gamma                77.6849(10)
_cell_volume                     6001.1(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40675
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.45
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3012.00
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_type   none

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            102135
_diffrn_reflns_av_R_equivalents  0.1431
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             27404
_reflns_number_gt                9958
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0818
_refine_ls_wR_factor_ref         0.2773
_refine_ls_number_restraints     76
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         27404
_refine_ls_number_parameters     1655
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1307P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         2.180
_refine_diff_density_min         -1.210
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Pd1 Pd 0.77611(6) 0.53065(5) 0.89353(3) 0.0752(3) Uani 1.0 2 d . . .
Pd2 Pd 0.79245(6) 0.54935(5) 0.79792(3) 0.0708(3) Uani 1.0 2 d . . .
Pd3 Pd 0.74776(5) 0.58293(4) 0.71079(3) 0.0630(2) Uani 1.0 2 d . . .
Pd4 Pd 0.68582(5) 0.60983(4) 0.62562(3) 0.0632(3) Uani 1.0 2 d . . .
Cl1 Cl 0.1541(4) -0.0481(3) 0.48229(14) 0.1404(14) Uani 1.0 2 d . . .
Cl2 Cl 0.0488(3) 0.1903(4) 0.39423(17) 0.1546(17) Uani 1.0 2 d . . .
F1 F 0.4149(6) 0.5094(5) 0.9053(3) 0.114(3) Uani 1.0 2 d . . .
F2 F 0.5615(6) 0.4646(6) 0.8874(3) 0.145(4) Uani 1.0 2 d . . .
F3 F 0.4972(8) 0.5939(5) 0.8629(3) 0.156(4) Uani 1.0 2 d . . .
F4 F 0.3295(4) 0.6492(4) 0.72027(19) 0.0777(15) Uani 1.0 2 d . . .
F5 F 0.3326(4) 0.5440(4) 0.6792(2) 0.0778(15) Uani 1.0 2 d . . .
F6 F 0.4619(4) 0.5971(4) 0.6755(2) 0.0828(16) Uani 1.0 2 d . . .
F7 F 0.2552(8) 0.3077(15) 0.9618(8) 0.434(18) Uani 1.0 2 d . . .
F8 F 0.2000(8) 0.1963(10) 0.9790(4) 0.245(8) Uani 1.0 2 d . . .
F9 F 0.1628(7) 0.2799(6) 0.9204(3) 0.144(3) Uani 1.0 2 d . . .
F10 F 0.5487(6) -0.0228(7) 0.9507(3) 0.152(4) Uani 1.0 2 d . . .
F11 F 0.4293(6) -0.0719(7) 0.9351(4) 0.188(5) Uani 1.0 2 d . . .
F12 F 0.5498(6) -0.0635(5) 0.8826(3) 0.109(3) Uani 1.0 2 d . . .
F13 F 0.4025(6) 0.0386(4) 0.6376(3) 0.113(3) Uani 1.0 2 d . . .
F14 F 0.3550(7) -0.0393(5) 0.6994(3) 0.135(3) Uani 1.0 2 d . . .
F15 F 0.4975(6) -0.0150(5) 0.6886(4) 0.146(4) Uani 1.0 2 d . . .
F16 F 0.0795(4) 0.2051(5) 0.7432(3) 0.113(3) Uani 1.0 2 d . . .
F17 F 0.1196(5) 0.3077(5) 0.6905(3) 0.110(3) Uani 1.0 2 d . . .
F18 F 0.1070(4) 0.3216(5) 0.7652(3) 0.112(3) Uani 1.0 2 d . . .
F19 F 0.7973(6) 0.1625(9) 0.8543(3) 0.196(6) Uani 1.0 2 d . . .
F20 F 0.8920(6) 0.0926(4) 0.8027(4) 0.134(4) Uani 1.0 2 d . . .
F21 F 0.8924(5) 0.2246(4) 0.8033(3) 0.101(2) Uani 1.0 2 d . . .
F22 F 0.8333(5) 0.2584(5) 0.6291(2) 0.0972(19) Uani 1.0 2 d . . .
F23 F 0.6889(5) 0.2742(5) 0.6167(3) 0.0995(19) Uani 1.0 2 d . . .
F24 F 0.7765(8) 0.1453(5) 0.6284(3) 0.153(4) Uani 1.0 2 d . . .
F25 F -0.2409(5) -0.0802(6) 0.6890(3) 0.117(3) Uani 1.0 2 d . . .
F26 F -0.3451(5) -0.0994(5) 0.7468(3) 0.111(3) Uani 1.0 2 d . . .
F27 F -0.3129(7) 0.0254(4) 0.7280(4) 0.171(5) Uani 1.0 2 d . . .
F28 F -0.1313(8) -0.1627(7) 0.9246(4) 0.188(4) Uiso 1.0 2 d . . .
F29 F -0.2677(6) -0.1375(6) 0.9168(3) 0.141(3) Uiso 1.0 2 d . . .
F30 F -0.2151(9) -0.0264(8) 0.9114(5) 0.207(5) Uiso 1.0 2 d . . .
F31 F 0.3567(5) -0.1206(4) 0.5580(3) 0.105(2) Uani 1.0 2 d . . .
F32 F 0.2837(6) -0.2266(6) 0.5753(4) 0.160(4) Uani 1.0 2 d . . .
F33 F 0.3825(6) -0.2123(6) 0.6192(3) 0.141(4) Uani 1.0 2 d . . .
F34 F 0.1467(5) 0.1588(4) 0.6038(4) 0.137(3) Uani 1.0 2 d . . .
F35 F 0.0297(7) 0.1186(5) 0.5834(3) 0.139(3) Uani 1.0 2 d . . .
F36 F 0.0200(5) 0.1586(4) 0.6525(3) 0.0988(19) Uani 1.0 2 d . . .
F37 F 0.4793(5) -0.1147(5) 0.8032(3) 0.123(3) Uani 1.0 2 d . . .
F38 F 0.4488(4) -0.2262(5) 0.7792(3) 0.109(3) Uani 1.0 2 d . . .
F39 F 0.4338(5) -0.2190(6) 0.8546(3) 0.128(3) Uani 1.0 2 d . . .
F40 F 0.2031(7) 0.1364(5) 0.8436(3) 0.143(3) Uani 1.0 2 d . . .
F41 F 0.0606(6) 0.1081(6) 0.8606(4) 0.163(4) Uani 1.0 2 d . . .
F42 F 0.1625(7) 0.0573(5) 0.9073(3) 0.132(3) Uani 1.0 2 d . . .
F43 F 0.1380(5) -0.3875(5) 0.6393(3) 0.1003(19) Uani 1.0 2 d . . .
F44 F 0.1033(6) -0.5056(4) 0.6808(3) 0.108(2) Uani 1.0 2 d . . .
F45 F -0.0092(5) -0.3936(5) 0.6692(3) 0.105(2) Uani 1.0 2 d . . .
F46 F 0.2126(6) -0.4350(6) 0.8729(3) 0.129(3) Uani 1.0 2 d . . .
F47 F 0.2015(7) -0.5426(5) 0.8400(3) 0.144(4) Uani 1.0 2 d . . .
F48 F 0.0774(6) -0.4718(6) 0.8795(3) 0.137(3) Uani 1.0 2 d . . .
C1 C 0.3133(10) 0.8251(9) 1.0265(5) 0.100(4) Uani 1.0 2 d . . .
C2 C 0.3988(10) 0.8001(9) 1.0458(5) 0.104(4) Uani 1.0 2 d . . .
C3 C 0.4705(9) 0.7312(8) 1.0314(4) 0.084(3) Uani 1.0 2 d . . .
C4 C 0.4569(7) 0.6819(7) 0.9965(4) 0.068(3) Uani 1.0 2 d . . .
C5 C 0.3694(9) 0.7066(8) 0.9778(4) 0.085(3) Uani 1.0 2 d . . .
C6 C 0.2997(9) 0.7777(8) 0.9911(5) 0.092(4) Uani 1.0 2 d . . .
C7 C 0.5280(8) 0.6067(7) 0.9808(4) 0.071(3) Uani 1.0 2 d . . .
C8 C 0.6254(8) 0.5900(7) 0.9835(4) 0.072(3) Uani 1.0 2 d . . .
C9 C 0.6897(8) 0.5104(7) 0.9710(4) 0.071(3) Uani 1.0 2 d . . .
C10 C 0.7880(9) 0.4944(8) 0.9735(4) 0.087(3) Uani 1.0 2 d . . .
C11 C 0.8498(8) 0.4078(9) 0.9728(4) 0.086(4) Uani 1.0 2 d . . .
C12 C 0.9098(9) 0.3721(11) 1.0092(5) 0.116(5) Uani 1.0 2 d . . .
C13 C 0.9646(10) 0.2886(12) 1.0104(6) 0.126(5) Uani 1.0 2 d . . .
C14 C 0.9651(9) 0.2368(10) 0.9752(6) 0.115(5) Uani 1.0 2 d . . .
C15 C 0.9086(9) 0.2681(9) 0.9379(5) 0.103(4) Uani 1.0 2 d . . .
C16 C 0.8515(8) 0.3535(8) 0.9371(5) 0.086(3) Uani 1.0 2 d . . .
C17 C 0.7939(8) 0.3895(7) 0.8968(4) 0.077(3) Uani 1.0 2 d . . .
C18 C 0.8379(8) 0.4018(6) 0.8494(4) 0.071(3) Uani 1.0 2 d . . .
C19 C 0.7944(8) 0.4111(6) 0.8069(4) 0.067(3) Uani 1.0 2 d . . .
C20 C 0.8439(8) 0.4269(6) 0.7603(4) 0.068(3) Uani 1.0 2 d . . .
C21 C 0.8091(7) 0.4399(6) 0.7142(4) 0.064(3) Uani 1.0 2 d . . .
C22 C 0.7085(7) 0.4475(5) 0.7086(4) 0.059(3) Uani 1.0 2 d . . .
C23 C 0.6836(7) 0.4586(6) 0.6618(4) 0.065(3) Uani 1.0 2 d . . .
C24 C 0.7530(7) 0.4644(6) 0.6205(4) 0.068(3) Uani 1.0 2 d . . .
C25 C 0.8489(8) 0.4619(7) 0.6268(5) 0.081(3) Uani 1.0 2 d . . .
C26 C 0.8763(8) 0.4501(7) 0.6720(5) 0.078(3) Uani 1.0 2 d . . .
C27 C 0.4883(10) 0.2233(8) 0.5735(5) 0.095(4) Uani 1.0 2 d . . .
C28 C 0.5496(9) 0.2640(8) 0.5376(5) 0.092(4) Uani 1.0 2 d . . .
C29 C 0.5535(8) 0.3517(7) 0.5369(4) 0.075(3) Uani 1.0 2 d . . .
C30 C 0.4986(7) 0.4011(7) 0.5730(4) 0.066(3) Uani 1.0 2 d . . .
C31 C 0.4376(8) 0.3592(7) 0.6084(4) 0.074(3) Uani 1.0 2 d . . .
C32 C 0.4318(9) 0.2706(7) 0.6084(5) 0.087(4) Uani 1.0 2 d . . .
C33 C 0.5070(7) 0.4913(7) 0.5759(4) 0.069(3) Uani 1.0 2 d . . .
C34 C 0.5809(7) 0.5291(6) 0.5573(4) 0.066(3) Uani 1.0 2 d . . .
C35 C 0.5887(7) 0.6173(6) 0.5647(4) 0.067(3) Uani 1.0 2 d . . .
C36 C 0.6685(8) 0.6573(6) 0.5455(4) 0.073(3) Uani 1.0 2 d . . .
C37 C 0.6608(7) 0.7544(7) 0.5416(4) 0.070(3) Uani 1.0 2 d . . .
C38 C 0.6745(7) 0.8027(7) 0.4952(4) 0.073(3) Uani 1.0 2 d . . .
C39 C 0.6537(8) 0.8914(7) 0.4901(5) 0.079(3) Uani 1.0 2 d . . .
C40 C 0.6202(8) 0.9353(8) 0.5302(5) 0.087(4) Uani 1.0 2 d . . .
C41 C 0.6087(8) 0.8902(7) 0.5767(4) 0.084(3) Uani 1.0 2 d . . .
C42 C 0.6308(7) 0.7995(6) 0.5817(4) 0.068(3) Uani 1.0 2 d . . .
C43 C 0.6253(7) 0.7503(6) 0.6322(4) 0.066(3) Uani 1.0 2 d . . .
C44 C 0.7026(7) 0.7365(6) 0.6584(4) 0.064(3) Uani 1.0 2 d . . .
C45 C 0.6948(7) 0.7193(6) 0.7105(4) 0.061(3) Uani 1.0 2 d . . .
C46 C 0.7727(7) 0.7044(5) 0.7350(4) 0.058(3) Uani 1.0 2 d . . .
C47 C 0.7701(7) 0.6932(6) 0.7870(4) 0.062(3) Uani 1.0 2 d . . .
C48 C 0.6800(7) 0.6949(7) 0.8197(4) 0.074(3) Uani 1.0 2 d . . .
C49 C 0.6790(7) 0.6897(7) 0.8688(4) 0.076(3) Uani 1.0 2 d . . .
C50 C 0.7642(7) 0.6769(6) 0.8898(4) 0.076(3) Uani 1.0 2 d . . .
C51 C 0.8548(7) 0.6691(7) 0.8576(4) 0.076(3) Uani 1.0 2 d . . .
C52 C 0.8552(7) 0.6771(6) 0.8076(4) 0.069(3) Uani 1.0 2 d . . .
C53 C 0.4535(6) 0.3559(6) 0.7857(4) 0.058(2) Uani 1.0 2 d . . .
C54 C 0.4763(6) 0.3911(6) 0.8236(4) 0.059(3) Uani 1.0 2 d . . .
C55 C 0.4666(7) 0.4809(7) 0.8252(4) 0.064(3) Uani 1.0 2 d . . .
C56 C 0.4357(6) 0.5426(6) 0.7874(4) 0.059(3) Uani 1.0 2 d . . .
C57 C 0.4141(6) 0.5104(6) 0.7481(4) 0.061(3) Uani 1.0 2 d . . .
C58 C 0.4239(6) 0.4186(6) 0.7475(4) 0.060(3) Uani 1.0 2 d . . .
C59 C 0.4845(7) 0.5116(8) 0.8692(4) 0.071(3) Uani 1.0 2 d . . .
C60 C 0.3844(7) 0.5742(7) 0.7063(4) 0.069(3) Uani 1.0 2 d . . .
C61 C 0.4414(6) 0.2006(7) 0.8391(4) 0.063(2) Uani 1.0 2 d . . .
C62 C 0.3610(7) 0.2433(8) 0.8711(4) 0.075(3) Uani 1.0 2 d . . .
C63 C 0.3267(8) 0.2007(10) 0.9149(4) 0.088(3) Uani 1.0 2 d . . .
C64 C 0.3711(9) 0.1177(10) 0.9297(4) 0.095(3) Uani 1.0 2 d . . .
C65 C 0.4492(8) 0.0724(8) 0.9008(4) 0.080(3) Uani 1.0 2 d . . .
C66 C 0.4823(7) 0.1155(7) 0.8553(4) 0.069(3) Uani 1.0 2 d . . .
C67 C 0.2417(9) 0.2561(14) 0.9434(5) 0.128(5) Uani 1.0 2 d . . .
C68 C 0.4920(10) -0.0178(11) 0.9174(5) 0.105(4) Uani 1.0 2 d . . .
C69 C 0.4029(6) 0.2168(6) 0.7529(3) 0.060(3) Uani 1.0 2 d . . .
C70 C 0.4352(7) 0.1402(6) 0.7305(3) 0.059(3) Uani 1.0 2 d . . .
C71 C 0.3718(7) 0.1027(6) 0.7099(4) 0.063(3) Uani 1.0 2 d . . .
C72 C 0.2751(7) 0.1445(6) 0.7110(4) 0.070(3) Uani 1.0 2 d . . .
C73 C 0.2423(6) 0.2199(7) 0.7326(4) 0.067(3) Uani 1.0 2 d . . .
C74 C 0.3043(7) 0.2565(6) 0.7526(4) 0.065(3) Uani 1.0 2 d . . .
C75 C 0.4099(8) 0.0227(7) 0.6842(4) 0.076(3) Uani 1.0 2 d . . .
C76 C 0.1384(7) 0.2647(8) 0.7334(5) 0.077(3) Uani 1.0 2 d . . .
C77 C 0.5878(6) 0.2259(5) 0.7645(3) 0.054(2) Uani 1.0 2 d . . .
C78 C 0.6605(6) 0.2039(5) 0.7943(4) 0.055(2) Uani 1.0 2 d . . .
C79 C 0.7591(7) 0.1903(6) 0.7760(4) 0.061(3) Uani 1.0 2 d . . .
C80 C 0.7896(7) 0.1980(6) 0.7266(4) 0.058(3) Uani 1.0 2 d . . .
C81 C 0.7207(7) 0.2182(6) 0.6963(4) 0.060(3) Uani 1.0 2 d . . .
C82 C 0.6223(6) 0.2328(5) 0.7142(3) 0.053(2) Uani 1.0 2 d . . .
C83 C 0.8323(7) 0.1669(7) 0.8089(4) 0.071(3) Uani 1.0 2 d . . .
C84 C 0.7535(8) 0.2204(8) 0.6429(4) 0.077(3) Uani 1.0 2 d . . .
C85 C -0.0280(6) -0.1184(5) 0.7778(3) 0.054(2) Uani 1.0 2 d . . .
C86 C -0.1015(7) -0.0974(5) 0.7467(4) 0.057(2) Uani 1.0 2 d . . .
C87 C -0.2004(7) -0.0788(6) 0.7665(4) 0.061(3) Uani 1.0 2 d . . .
C88 C -0.2292(7) -0.0772(6) 0.8142(4) 0.068(3) Uani 1.0 2 d . . .
C89 C -0.1593(7) -0.0993(6) 0.8459(4) 0.066(3) Uani 1.0 2 d . . .
C90 C -0.0619(7) -0.1190(6) 0.8270(3) 0.059(2) Uani 1.0 2 d . . .
C91 C -0.2751(7) -0.0554(7) 0.7330(4) 0.071(3) Uani 1.0 2 d . . .
C92 C -0.1863(11) -0.0969(11) 0.8992(6) 0.114(5) Uiso 1.0 2 d . . .
C93 C 0.1218(6) -0.1049(6) 0.7013(4) 0.057(2) Uani 1.0 2 d . . .
C94 C 0.1978(6) -0.1514(6) 0.6711(3) 0.057(2) Uani 1.0 2 d . . .
C95 C 0.2323(7) -0.1142(6) 0.6257(4) 0.061(3) Uani 1.0 2 d . . .
C96 C 0.1925(6) -0.0285(6) 0.6071(4) 0.058(3) Uani 1.0 2 d . . .
C97 C 0.1188(6) 0.0186(6) 0.6379(3) 0.056(2) Uani 1.0 2 d . . .
C98 C 0.0843(6) -0.0182(5) 0.6836(3) 0.053(2) Uani 1.0 2 d . . .
C99 C 0.3117(8) -0.1659(7) 0.5951(4) 0.079(3) Uani 1.0 2 d . . .
C100 C 0.0774(7) 0.1106(7) 0.6200(4) 0.071(3) Uani 1.0 2 d . . .
C101 C 0.1568(6) -0.1158(6) 0.7896(4) 0.060(3) Uani 1.0 2 d . . .
C102 C 0.2524(7) -0.1586(6) 0.7912(4) 0.064(3) Uani 1.0 2 d . . .
C103 C 0.3144(7) -0.1247(7) 0.8138(4) 0.073(3) Uani 1.0 2 d . . .
C104 C 0.2827(7) -0.0501(7) 0.8366(4) 0.071(3) Uani 1.0 2 d . . .
C105 C 0.1865(7) -0.0068(7) 0.8361(4) 0.073(3) Uani 1.0 2 d . . .
C106 C 0.1262(7) -0.0388(6) 0.8124(4) 0.068(3) Uani 1.0 2 d . . .
C107 C 0.4176(8) -0.1738(9) 0.8135(5) 0.090(4) Uani 1.0 2 d . . .
C108 C 0.1503(9) 0.0731(8) 0.8614(5) 0.085(3) Uani 1.0 2 d . . .
C109 C 0.1021(6) -0.2549(6) 0.7607(3) 0.055(2) Uani 1.0 2 d . . .
C110 C 0.0863(6) -0.2939(6) 0.7224(3) 0.057(2) Uani 1.0 2 d . . .
C111 C 0.0951(6) -0.3858(6) 0.7238(4) 0.061(3) Uani 1.0 2 d . . .
C112 C 0.1190(7) -0.4401(7) 0.7638(4) 0.069(3) Uani 1.0 2 d . . .
C113 C 0.1337(7) -0.4049(6) 0.8036(4) 0.066(3) Uani 1.0 2 d . . .
C114 C 0.1254(6) -0.3129(6) 0.8017(3) 0.059(2) Uani 1.0 2 d . . .
C115 C 0.0836(8) -0.4175(7) 0.6787(5) 0.075(3) Uani 1.0 2 d . . .
C116 C 0.1546(10) -0.4617(8) 0.8480(5) 0.089(4) Uani 1.0 2 d . . .
C117 C 1.1928(11) 0.3967(11) 0.5764(5) 0.116(5) Uani 1.0 2 d . . .
C118 C 1.1141(9) 0.3745(8) 0.5599(4) 0.090(4) Uani 1.0 2 d . . .
C119 C 1.0588(8) 0.4324(7) 0.5298(4) 0.077(3) Uani 1.0 2 d . . .
C120 C 1.0814(7) 0.5198(7) 0.5170(4) 0.071(3) Uani 1.0 2 d . . .
C121 C 1.0251(8) 0.5863(7) 0.4874(4) 0.080(3) Uani 1.0 2 d . . .
C122 C 1.0468(10) 0.6692(8) 0.4774(5) 0.102(4) Uani 1.0 2 d . . .
C123 C 1.1275(12) 0.6879(9) 0.4937(5) 0.114(5) Uani 1.0 2 d . . .
C124 C 1.1820(10) 0.6246(10) 0.5199(5) 0.100(4) Uani 1.0 2 d . . .
C125 C 1.1610(8) 0.5448(9) 0.5318(5) 0.091(4) Uani 1.0 2 d . . .
C126 C 1.2172(12) 0.4774(11) 0.5630(6) 0.119(5) Uani 1.0 2 d . . .
C127 C 0.118(4) 0.068(3) 0.4598(16) 0.135(15) Uani 0.5000 2 d . . .
C128 C 0.113(4) 0.0308(17) 0.4340(12) 0.130(15) Uani 0.5000 2 d . . .
C129 C 0.097(3) 0.121(3) 0.4437(14) 0.125(13) Uani 0.5000 2 d . . .
C130 C 0.089(5) 0.075(2) 0.4124(14) 0.20(3) Uani 0.5000 2 d . . .
B1 B 0.4717(7) 0.2501(7) 0.7848(4) 0.056(3) Uani 1.0 2 d . . .
B2 B 0.0862(7) -0.1477(7) 0.7578(4) 0.056(3) Uani 1.0 2 d . . .
H1 H 0.2650 0.8733 1.0370 0.1203 Uiso 1.0 2 calc R . .
H2 H 0.4085 0.8318 1.0701 0.1251 Uiso 1.0 2 calc R . .
H3 H 0.5291 0.7170 1.0450 0.1012 Uiso 1.0 2 calc R . .
H5 H 0.3576 0.6729 0.9550 0.1018 Uiso 1.0 2 calc R . .
H6 H 0.2425 0.7944 0.9762 0.1109 Uiso 1.0 2 calc R . .
H7 H 0.5048 0.5646 0.9671 0.0856 Uiso 1.0 2 calc R . .
H8 H 0.6515 0.6335 0.9943 0.0870 Uiso 1.0 2 calc R . .
H9 H 0.6637 0.4665 0.9606 0.0846 Uiso 1.0 2 calc R . .
H10 H 0.8168 0.5429 0.9757 0.1043 Uiso 1.0 2 calc R . .
H12 H 0.9118 0.4075 1.0335 0.1388 Uiso 1.0 2 calc R . .
H12A H 0.0630 0.0963 0.4825 0.1619 Uiso 0.5000 2 calc R . .
H12B H 0.1730 0.0985 0.4577 0.1619 Uiso 0.5000 2 calc R . .
H12C H 0.1610 0.0227 0.4044 0.1565 Uiso 0.5000 2 calc R . .
H12D H 0.0508 0.0189 0.4275 0.1565 Uiso 0.5000 2 calc R . .
H12E H 0.1599 0.1358 0.4474 0.1494 Uiso 0.5000 2 calc R . .
H12F H 0.0517 0.1297 0.4741 0.1494 Uiso 0.5000 2 calc R . .
H13 H 1.0025 0.2665 1.0357 0.1507 Uiso 1.0 2 calc R . .
H13A H 0.0365 0.0419 0.4139 0.2455 Uiso 0.5000 2 calc R . .
H13B H 0.1453 0.0498 0.3890 0.2455 Uiso 0.5000 2 calc R . .
H14 H 1.0039 0.1791 0.9761 0.1382 Uiso 1.0 2 calc R . .
H15 H 0.9091 0.2321 0.9136 0.1240 Uiso 1.0 2 calc R . .
H17 H 0.7251 0.4043 0.9040 0.0925 Uiso 1.0 2 calc R . .
H18 H 0.9051 0.4045 0.8447 0.0854 Uiso 1.0 2 calc R . .
H19 H 0.7281 0.4062 0.8104 0.0808 Uiso 1.0 2 calc R . .
H20 H 0.9105 0.4297 0.7586 0.0821 Uiso 1.0 2 calc R . .
H22 H 0.6598 0.4450 0.7362 0.0707 Uiso 1.0 2 calc R . .
H23 H 0.6177 0.4623 0.6582 0.0780 Uiso 1.0 2 calc R . .
H24 H 0.7358 0.4698 0.5890 0.0820 Uiso 1.0 2 calc R . .
H25 H 0.8965 0.4686 0.5991 0.0973 Uiso 1.0 2 calc R . .
H26 H 0.9422 0.4487 0.6746 0.0936 Uiso 1.0 2 calc R . .
H27 H 0.4857 0.1630 0.5737 0.1144 Uiso 1.0 2 calc R . .
H28 H 0.5892 0.2312 0.5132 0.1106 Uiso 1.0 2 calc R . .
H29 H 0.5945 0.3788 0.5114 0.0901 Uiso 1.0 2 calc R . .
H31 H 0.3986 0.3913 0.6332 0.0889 Uiso 1.0 2 calc R . .
H32 H 0.3886 0.2437 0.6328 0.1047 Uiso 1.0 2 calc R . .
H33 H 0.4529 0.5265 0.5932 0.0825 Uiso 1.0 2 calc R . .
H34 H 0.6333 0.4967 0.5375 0.0789 Uiso 1.0 2 calc R . .
H35 H 0.5357 0.6501 0.5840 0.0804 Uiso 1.0 2 calc R . .
H36 H 0.7291 0.6215 0.5347 0.0872 Uiso 1.0 2 calc R . .
H38 H 0.6985 0.7723 0.4675 0.0880 Uiso 1.0 2 calc R . .
H39 H 0.6622 0.9236 0.4588 0.0953 Uiso 1.0 2 calc R . .
H40 H 0.6045 0.9979 0.5262 0.1045 Uiso 1.0 2 calc R . .
H41 H 0.5863 0.9213 0.6042 0.1003 Uiso 1.0 2 calc R . .
H43 H 0.5681 0.7285 0.6464 0.0797 Uiso 1.0 2 calc R . .
H44 H 0.7654 0.7384 0.6406 0.0773 Uiso 1.0 2 calc R . .
H45 H 0.6322 0.7184 0.7288 0.0737 Uiso 1.0 2 calc R . .
H46 H 0.8351 0.7009 0.7158 0.0699 Uiso 1.0 2 calc R . .
H48 H 0.6210 0.6997 0.8073 0.0891 Uiso 1.0 2 calc R . .
H49 H 0.6182 0.6949 0.8895 0.0909 Uiso 1.0 2 calc R . .
H50 H 0.7620 0.6736 0.9238 0.0907 Uiso 1.0 2 calc R . .
H51 H 0.9144 0.6585 0.8702 0.0915 Uiso 1.0 2 calc R . .
H52 H 0.9159 0.6713 0.7868 0.0822 Uiso 1.0 2 calc R . .
H54 H 0.4998 0.3516 0.8498 0.0707 Uiso 1.0 2 calc R . .
H56 H 0.4296 0.6041 0.7884 0.0705 Uiso 1.0 2 calc R . .
H58 H 0.4098 0.3984 0.7199 0.0715 Uiso 1.0 2 calc R . .
H62 H 0.3309 0.3024 0.8618 0.0894 Uiso 1.0 2 calc R . .
H64 H 0.3482 0.0900 0.9606 0.1136 Uiso 1.0 2 calc R . .
H66 H 0.5350 0.0845 0.8350 0.0828 Uiso 1.0 2 calc R . .
H70 H 0.5016 0.1122 0.7290 0.0713 Uiso 1.0 2 calc R . .
H72 H 0.2321 0.1207 0.6969 0.0836 Uiso 1.0 2 calc R . .
H74 H 0.2796 0.3100 0.7665 0.0784 Uiso 1.0 2 calc R . .
H78 H 0.6415 0.1981 0.8284 0.0654 Uiso 1.0 2 calc R . .
H80 H 0.8569 0.1894 0.7139 0.0698 Uiso 1.0 2 calc R . .
H82 H 0.5767 0.2479 0.6921 0.0636 Uiso 1.0 2 calc R . .
H86 H -0.0831 -0.0959 0.7127 0.0690 Uiso 1.0 2 calc R . .
H88 H -0.2963 -0.0613 0.8266 0.0810 Uiso 1.0 2 calc R . .
H90 H -0.0157 -0.1338 0.8488 0.0707 Uiso 1.0 2 calc R . .
H94 H 0.2264 -0.2101 0.6821 0.0682 Uiso 1.0 2 calc R . .
H96 H 0.2145 -0.0038 0.5753 0.0696 Uiso 1.0 2 calc R . .
H98 H 0.0339 0.0163 0.7035 0.0632 Uiso 1.0 2 calc R . .
H102 H 0.2762 -0.2116 0.7766 0.0770 Uiso 1.0 2 calc R . .
H104 H 0.3251 -0.0284 0.8523 0.0853 Uiso 1.0 2 calc R . .
H106 H 0.0615 -0.0072 0.8117 0.0815 Uiso 1.0 2 calc R . .
H110 H 0.0688 -0.2571 0.6941 0.0690 Uiso 1.0 2 calc R . .
H112 H 0.1257 -0.5021 0.7646 0.0831 Uiso 1.0 2 calc R . .
H114 H 0.1360 -0.2895 0.8290 0.0702 Uiso 1.0 2 calc R . .
H117 H 1.2294 0.3545 0.5974 0.1387 Uiso 1.0 2 calc R . .
H118 H 1.0993 0.3175 0.5701 0.1081 Uiso 1.0 2 calc R . .
H122 H 1.0070 0.7144 0.4594 0.1222 Uiso 1.0 2 calc R . .
H123 H 1.1430 0.7451 0.4860 0.1366 Uiso 1.0 2 calc R . .
H124 H 1.2370 0.6371 0.5303 0.1198 Uiso 1.0 2 calc R . .
H126 H 1.2715 0.4902 0.5740 0.1429 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pd1 Pd2 2.6466(12) yes . .
Pd1 C9 2.326(9) yes . .
Pd1 C10 2.271(11) yes . .
Pd1 C17 2.155(10) yes . .
Pd1 C18 2.447(10) yes . .
Pd1 C50 2.243(10) yes . .
Pd2 Pd3 2.6000(13) yes . .
Pd2 C19 2.132(9) yes . .
Pd2 C20 2.250(9) yes . .
Pd2 C47 2.184(9) yes . .
Pd2 C52 2.422(11) yes . .
Pd3 Pd4 2.6514(13) yes . .
Pd3 C21 2.213(9) yes . .
Pd3 C22 2.313(9) yes . .
Pd3 C45 2.103(8) yes . .
Pd3 C46 2.227(9) yes . .
Pd4 C23 2.432(9) yes . .
Pd4 C24 2.285(9) yes . .
Pd4 C35 2.366(11) yes . .
Pd4 C36 2.311(10) yes . .
Pd4 C43 2.204(9) yes . .
Pd4 C44 2.380(10) yes . .
Cl1 C127 1.82(4) yes . .
Cl1 C128 1.79(3) yes . .
Cl2 C129 1.78(4) yes . .
Cl2 C130 1.80(3) yes . .
F1 C59 1.291(12) yes . .
F2 C59 1.321(13) yes . .
F3 C59 1.318(15) yes . .
F4 C60 1.335(11) yes . .
F5 C60 1.344(13) yes . .
F6 C60 1.356(11) yes . .
F7 C67 1.09(4) yes . .
F8 C67 1.41(2) yes . .
F9 C67 1.352(17) yes . .
F10 C68 1.327(18) yes . .
F11 C68 1.341(18) yes . .
F12 C68 1.353(15) yes . .
F13 C75 1.321(14) yes . .
F14 C75 1.346(15) yes . .
F15 C75 1.280(13) yes . .
F16 C76 1.348(14) yes . .
F17 C76 1.336(14) yes . .
F18 C76 1.314(15) yes . .
F19 C83 1.290(13) yes . .
F20 C83 1.299(11) yes . .
F21 C83 1.344(13) yes . .
F22 C84 1.363(13) yes . .
F23 C84 1.351(12) yes . .
F24 C84 1.259(14) yes . .
F25 C91 1.335(13) yes . .
F26 C91 1.301(13) yes . .
F27 C91 1.259(11) yes . .
F28 C92 1.349(18) yes . .
F29 C92 1.416(18) yes . .
F30 C92 1.17(2) yes . .
F31 C99 1.320(12) yes . .
F32 C99 1.331(17) yes . .
F33 C99 1.336(14) yes . .
F34 C100 1.343(13) yes . .
F35 C100 1.313(15) yes . .
F36 C100 1.323(12) yes . .
F37 C107 1.372(16) yes . .
F38 C107 1.319(16) yes . .
F39 C107 1.296(15) yes . .
F40 C108 1.353(16) yes . .
F41 C108 1.280(14) yes . .
F42 C108 1.320(16) yes . .
F43 C115 1.323(13) yes . .
F44 C115 1.339(12) yes . .
F45 C115 1.357(13) yes . .
F46 C116 1.339(18) yes . .
F47 C116 1.329(13) yes . .
F48 C116 1.308(14) yes . .
C1 C2 1.38(2) yes . .
C1 C6 1.39(2) yes . .
C2 C3 1.372(17) yes . .
C3 C4 1.400(17) yes . .
C4 C5 1.395(16) yes . .
C4 C7 1.448(13) yes . .
C5 C6 1.372(16) yes . .
C7 C8 1.368(16) yes . .
C8 C9 1.429(14) yes . .
C9 C10 1.381(16) yes . .
C10 C11 1.449(16) yes . .
C11 C12 1.425(18) yes . .
C11 C16 1.408(19) yes . .
C12 C13 1.37(3) yes . .
C13 C14 1.37(3) yes . .
C14 C15 1.40(2) yes . .
C15 C16 1.405(17) yes . .
C16 C17 1.490(17) yes . .
C17 C18 1.378(14) yes . .
C18 C19 1.423(16) yes . .
C19 C20 1.392(14) yes . .
C20 C21 1.444(15) yes . .
C21 C22 1.448(14) yes . .
C21 C26 1.404(14) yes . .
C22 C23 1.405(15) yes . .
C23 C24 1.395(13) yes . .
C24 C25 1.400(16) yes . .
C25 C26 1.373(18) yes . .
C27 C28 1.388(17) yes . .
C27 C32 1.360(17) yes . .
C28 C29 1.379(16) yes . .
C29 C30 1.394(14) yes . .
C30 C31 1.386(14) yes . .
C30 C33 1.455(15) yes . .
C31 C32 1.405(16) yes . .
C33 C34 1.307(14) yes . .
C34 C35 1.454(14) yes . .
C35 C36 1.400(15) yes . .
C36 C37 1.486(14) yes . .
C37 C38 1.415(14) yes . .
C37 C42 1.378(15) yes . .
C38 C39 1.345(14) yes . .
C39 C40 1.375(17) yes . .
C40 C41 1.393(16) yes . .
C41 C42 1.377(13) yes . .
C42 C43 1.513(13) yes . .
C43 C44 1.393(15) yes . .
C44 C45 1.445(14) yes . .
C45 C46 1.369(14) yes . .
C46 C47 1.446(14) yes . .
C47 C48 1.440(13) yes . .
C47 C52 1.396(15) yes . .
C48 C49 1.377(16) yes . .
C49 C50 1.406(16) yes . .
C50 C51 1.435(14) yes . .
C51 C52 1.397(16) yes . .
C53 C54 1.390(15) yes . .
C53 C58 1.402(12) yes . .
C53 B1 1.621(14) yes . .
C54 C55 1.387(14) yes . .
C55 C56 1.392(13) yes . .
C55 C59 1.477(16) yes . .
C56 C57 1.390(15) yes . .
C57 C58 1.414(14) yes . .
C57 C60 1.486(13) yes . .
C61 C62 1.436(12) yes . .
C61 C66 1.378(13) yes . .
C61 B1 1.640(13) yes . .
C62 C63 1.375(15) yes . .
C63 C64 1.354(18) yes . .
C63 C67 1.511(18) yes . .
C64 C65 1.386(15) yes . .
C65 C66 1.411(14) yes . .
C65 C68 1.454(18) yes . .
C69 C70 1.392(13) yes . .
C69 C74 1.410(12) yes . .
C69 B1 1.645(16) yes . .
C70 C71 1.418(15) yes . .
C71 C72 1.389(13) yes . .
C71 C75 1.493(15) yes . .
C72 C73 1.363(14) yes . .
C73 C74 1.383(16) yes . .
C73 C76 1.494(13) yes . .
C77 C78 1.403(13) yes . .
C77 C82 1.414(12) yes . .
C77 B1 1.634(12) yes . .
C78 C79 1.391(12) yes . .
C79 C80 1.381(13) yes . .
C79 C83 1.469(15) yes . .
C80 C81 1.372(14) yes . .
C81 C82 1.385(12) yes . .
C81 C84 1.495(14) yes . .
C85 C86 1.436(13) yes . .
C85 C90 1.387(12) yes . .
C85 B2 1.616(12) yes . .
C86 C87 1.407(12) yes . .
C87 C88 1.341(14) yes . .
C87 C91 1.498(15) yes . .
C88 C89 1.410(15) yes . .
C89 C90 1.382(13) yes . .
C89 C92 1.489(18) yes . .
C93 C94 1.397(11) yes . .
C93 C98 1.397(11) yes . .
C93 B2 1.671(13) yes . .
C94 C95 1.378(12) yes . .
C95 C96 1.400(12) yes . .
C95 C99 1.467(13) yes . .
C96 C97 1.392(11) yes . .
C97 C98 1.383(11) yes . .
C97 C100 1.482(12) yes . .
C101 C102 1.387(12) yes . .
C101 C106 1.402(14) yes . .
C101 B2 1.653(16) yes . .
C102 C103 1.404(16) yes . .
C103 C104 1.370(15) yes . .
C103 C107 1.504(13) yes . .
C104 C105 1.394(13) yes . .
C105 C106 1.386(16) yes . .
C105 C108 1.481(17) yes . .
C109 C110 1.392(14) yes . .
C109 C114 1.402(12) yes . .
C109 B2 1.631(14) yes . .
C110 C111 1.409(13) yes . .
C111 C112 1.354(13) yes . .
C111 C115 1.482(17) yes . .
C112 C113 1.389(16) yes . .
C113 C114 1.411(13) yes . .
C113 C116 1.459(15) yes . .
C117 C118 1.41(3) yes . .
C117 C126 1.36(3) yes . .
C118 C119 1.365(15) yes . .
C119 C120 1.449(15) yes . .
C119 C121 1.464(18) yes . 2_766
C120 C121 1.427(14) yes . .
C120 C125 1.420(18) yes . .
C121 C122 1.372(17) yes . .
C122 C123 1.41(3) yes . .
C123 C124 1.336(19) yes . .
C124 C125 1.33(2) yes . .
C125 C126 1.460(19) yes . .
C127 C130 1.45(7) yes . .
C128 C129 1.44(5) yes . .
C1 H1 0.950 no . .
C2 H2 0.950 no . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C17 H17 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C22 H22 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C25 H25 0.950 no . .
C26 H26 0.950 no . .
C27 H27 0.950 no . .
C28 H28 0.950 no . .
C29 H29 0.950 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C33 H33 0.950 no . .
C34 H34 0.950 no . .
C35 H35 0.950 no . .
C36 H36 0.950 no . .
C38 H38 0.950 no . .
C39 H39 0.950 no . .
C40 H40 0.950 no . .
C41 H41 0.950 no . .
C43 H43 0.950 no . .
C44 H44 0.950 no . .
C45 H45 0.950 no . .
C46 H46 0.950 no . .
C48 H48 0.950 no . .
C49 H49 0.950 no . .
C50 H50 0.950 no . .
C51 H51 0.950 no . .
C52 H52 0.950 no . .
C54 H54 0.950 no . .
C56 H56 0.950 no . .
C58 H58 0.950 no . .
C62 H62 0.950 no . .
C64 H64 0.950 no . .
C66 H66 0.950 no . .
C70 H70 0.950 no . .
C72 H72 0.950 no . .
C74 H74 0.950 no . .
C78 H78 0.950 no . .
C80 H80 0.950 no . .
C82 H82 0.950 no . .
C86 H86 0.950 no . .
C88 H88 0.950 no . .
C90 H90 0.950 no . .
C94 H94 0.950 no . .
C96 H96 0.950 no . .
C98 H98 0.950 no . .
C102 H102 0.950 no . .
C104 H104 0.950 no . .
C106 H106 0.950 no . .
C110 H110 0.950 no . .
C112 H112 0.950 no . .
C114 H114 0.950 no . .
C117 H117 0.950 no . .
C118 H118 0.950 no . .
C122 H122 0.950 no . .
C123 H123 0.950 no . .
C124 H124 0.950 no . .
C126 H126 0.950 no . .
C127 H12A 0.990 no . .
C127 H12B 0.990 no . .
C128 H12C 0.990 no . .
C128 H12D 0.990 no . .
C129 H12E 0.990 no . .
C129 H12F 0.990 no . .
C130 H13A 0.990 no . .
C130 H13B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Pd2 Pd1 C9 152.9(3) yes . . .
Pd2 Pd1 C10 169.1(3) yes . . .
Pd2 Pd1 C17 91.4(3) yes . . .
Pd2 Pd1 C18 60.1(3) yes . . .
Pd2 Pd1 C50 88.5(3) yes . . .
C9 Pd1 C10 34.9(4) yes . . .
C9 Pd1 C17 84.3(4) yes . . .
C9 Pd1 C18 118.3(4) yes . . .
C9 Pd1 C50 96.8(4) yes . . .
C10 Pd1 C17 81.4(5) yes . . .
C10 Pd1 C18 110.7(4) yes . . .
C10 Pd1 C50 98.4(5) yes . . .
C17 Pd1 C18 34.1(4) yes . . .
C17 Pd1 C50 177.6(4) yes . . .
C18 Pd1 C50 144.9(4) yes . . .
Pd1 Pd2 Pd3 161.37(5) yes . . .
Pd1 Pd2 C19 84.6(3) yes . . .
Pd1 Pd2 C20 117.7(3) yes . . .
Pd1 Pd2 C47 97.2(3) yes . . .
Pd1 Pd2 C52 81.0(3) yes . . .
Pd3 Pd2 C19 97.2(3) yes . . .
Pd3 Pd2 C20 70.9(3) yes . . .
Pd3 Pd2 C47 78.6(3) yes . . .
Pd3 Pd2 C52 103.8(3) yes . . .
C19 Pd2 C20 36.9(4) yes . . .
C19 Pd2 C47 172.2(4) yes . . .
C19 Pd2 C52 152.7(4) yes . . .
C20 Pd2 C47 143.9(4) yes . . .
C20 Pd2 C52 137.8(4) yes . . .
C47 Pd2 C52 34.8(4) yes . . .
Pd2 Pd3 Pd4 173.98(4) yes . . .
Pd2 Pd3 C21 78.8(3) yes . . .
Pd2 Pd3 C22 96.3(3) yes . . .
Pd2 Pd3 C45 98.2(3) yes . . .
Pd2 Pd3 C46 69.6(3) yes . . .
Pd4 Pd3 C21 100.0(3) yes . . .
Pd4 Pd3 C22 79.5(3) yes . . .
Pd4 Pd3 C45 83.2(3) yes . . .
Pd4 Pd3 C46 113.9(3) yes . . .
C21 Pd3 C22 37.2(4) yes . . .
C21 Pd3 C45 176.6(4) yes . . .
C21 Pd3 C46 139.9(4) yes . . .
C22 Pd3 C45 145.5(4) yes . . .
C22 Pd3 C46 164.0(4) yes . . .
C45 Pd3 C46 36.7(4) yes . . .
Pd3 Pd4 C23 70.0(3) yes . . .
Pd3 Pd4 C24 85.2(3) yes . . .
Pd3 Pd4 C35 162.0(3) yes . . .
Pd3 Pd4 C36 162.8(3) yes . . .
Pd3 Pd4 C43 92.9(3) yes . . .
Pd3 Pd4 C44 63.0(3) yes . . .
C23 Pd4 C24 34.2(4) yes . . .
C23 Pd4 C35 99.0(4) yes . . .
C23 Pd4 C36 122.8(4) yes . . .
C23 Pd4 C43 145.8(4) yes . . .
C23 Pd4 C44 131.8(4) yes . . .
C24 Pd4 C35 93.3(4) yes . . .
C24 Pd4 C36 100.2(4) yes . . .
C24 Pd4 C43 177.8(4) yes . . .
C24 Pd4 C44 142.7(4) yes . . .
C35 Pd4 C36 34.8(4) yes . . .
C35 Pd4 C43 88.8(4) yes . . .
C35 Pd4 C44 123.0(4) yes . . .
C36 Pd4 C43 81.3(4) yes . . .
C36 Pd4 C44 105.4(4) yes . . .
C43 Pd4 C44 35.1(4) yes . . .
C2 C1 C6 118.1(12) yes . . .
C1 C2 C3 122.7(14) yes . . .
C2 C3 C4 119.7(12) yes . . .
C3 C4 C5 117.1(9) yes . . .
C3 C4 C7 122.7(10) yes . . .
C5 C4 C7 120.1(11) yes . . .
C4 C5 C6 122.8(12) yes . . .
C1 C6 C5 119.5(12) yes . . .
C4 C7 C8 126.5(11) yes . . .
C7 C8 C9 123.3(11) yes . . .
Pd1 C9 C8 111.2(7) yes . . .
Pd1 C9 C10 70.3(6) yes . . .
C8 C9 C10 122.9(11) yes . . .
Pd1 C10 C9 74.7(7) yes . . .
Pd1 C10 C11 100.7(7) yes . . .
C9 C10 C11 123.7(12) yes . . .
C10 C11 C12 121.6(13) yes . . .
C10 C11 C16 121.7(11) yes . . .
C12 C11 C16 116.6(12) yes . . .
C11 C12 C13 122.2(15) yes . . .
C12 C13 C14 120.3(14) yes . . .
C13 C14 C15 120.6(13) yes . . .
C14 C15 C16 119.1(14) yes . . .
C11 C16 C15 121.2(12) yes . . .
C11 C16 C17 118.6(10) yes . . .
C15 C16 C17 120.1(12) yes . . .
Pd1 C17 C16 104.7(8) yes . . .
Pd1 C17 C18 84.6(6) yes . . .
C16 C17 C18 121.7(10) yes . . .
Pd1 C18 C17 61.3(6) yes . . .
Pd1 C18 C19 110.9(6) yes . . .
C17 C18 C19 127.4(10) yes . . .
Pd2 C19 C18 89.7(7) yes . . .
Pd2 C19 C20 76.2(5) yes . . .
C18 C19 C20 123.4(10) yes . . .
Pd2 C20 C19 66.9(5) yes . . .
Pd2 C20 C21 110.4(6) yes . . .
C19 C20 C21 129.6(10) yes . . .
Pd3 C21 C20 99.1(6) yes . . .
Pd3 C21 C22 75.1(5) yes . . .
Pd3 C21 C26 93.2(6) yes . . .
C20 C21 C22 124.5(9) yes . . .
C20 C21 C26 118.0(10) yes . . .
C22 C21 C26 117.4(10) yes . . .
Pd3 C22 C21 67.6(5) yes . . .
Pd3 C22 C23 100.8(6) yes . . .
C21 C22 C23 119.3(8) yes . . .
Pd4 C23 C22 109.3(7) yes . . .
Pd4 C23 C24 67.1(5) yes . . .
C22 C23 C24 121.8(10) yes . . .
Pd4 C24 C23 78.7(5) yes . . .
Pd4 C24 C25 101.4(7) yes . . .
C23 C24 C25 117.9(11) yes . . .
C24 C25 C26 122.0(10) yes . . .
C21 C26 C25 121.5(10) yes . . .
C28 C27 C32 119.4(12) yes . . .
C27 C28 C29 120.7(11) yes . . .
C28 C29 C30 121.2(10) yes . . .
C29 C30 C31 117.1(10) yes . . .
C29 C30 C33 122.8(9) yes . . .
C31 C30 C33 120.0(9) yes . . .
C30 C31 C32 121.7(10) yes . . .
C27 C32 C31 119.9(11) yes . . .
C30 C33 C34 127.1(9) yes . . .
C33 C34 C35 124.7(9) yes . . .
Pd4 C35 C34 110.3(6) yes . . .
Pd4 C35 C36 70.5(6) yes . . .
C34 C35 C36 124.7(8) yes . . .
Pd4 C36 C35 74.7(6) yes . . .
Pd4 C36 C37 103.9(7) yes . . .
C35 C36 C37 121.6(8) yes . . .
C36 C37 C38 119.1(10) yes . . .
C36 C37 C42 121.5(9) yes . . .
C38 C37 C42 119.1(9) yes . . .
C37 C38 C39 120.4(10) yes . . .
C38 C39 C40 119.8(11) yes . . .
C39 C40 C41 121.6(10) yes . . .
C40 C41 C42 118.2(11) yes . . .
C37 C42 C41 120.9(9) yes . . .
C37 C42 C43 120.7(8) yes . . .
C41 C42 C43 118.4(10) yes . . .
Pd4 C43 C42 107.7(6) yes . . .
Pd4 C43 C44 79.4(5) yes . . .
C42 C43 C44 121.4(9) yes . . .
Pd4 C44 C43 65.5(6) yes . . .
Pd4 C44 C45 110.3(6) yes . . .
C43 C44 C45 125.3(9) yes . . .
Pd3 C45 C44 94.3(6) yes . . .
Pd3 C45 C46 76.6(5) yes . . .
C44 C45 C46 123.6(9) yes . . .
Pd3 C46 C45 66.7(6) yes . . .
Pd3 C46 C47 110.4(6) yes . . .
C45 C46 C47 126.8(8) yes . . .
Pd2 C47 C46 97.6(6) yes . . .
Pd2 C47 C48 88.1(6) yes . . .
Pd2 C47 C52 82.0(6) yes . . .
C46 C47 C48 121.6(9) yes . . .
C46 C47 C52 121.3(8) yes . . .
C48 C47 C52 117.1(9) yes . . .
C47 C48 C49 120.3(10) yes . . .
C48 C49 C50 122.7(9) yes . . .
Pd1 C50 C49 89.3(7) yes . . .
Pd1 C50 C51 88.6(6) yes . . .
C49 C50 C51 117.2(10) yes . . .
C50 C51 C52 119.8(10) yes . . .
Pd2 C52 C47 63.2(6) yes . . .
Pd2 C52 C51 102.7(7) yes . . .
C47 C52 C51 122.6(9) yes . . .
C54 C53 C58 114.5(9) yes . . .
C54 C53 B1 120.9(8) yes . . .
C58 C53 B1 124.3(9) yes . . .
C53 C54 C55 123.5(9) yes . . .
C54 C55 C56 121.4(10) yes . . .
C54 C55 C59 119.1(9) yes . . .
C56 C55 C59 119.5(9) yes . . .
C55 C56 C57 117.2(9) yes . . .
C56 C57 C58 120.3(8) yes . . .
C56 C57 C60 118.7(9) yes . . .
C58 C57 C60 121.0(9) yes . . .
C53 C58 C57 123.1(9) yes . . .
F1 C59 F2 103.5(9) yes . . .
F1 C59 F3 104.1(9) yes . . .
F1 C59 C55 114.5(10) yes . . .
F2 C59 F3 105.4(11) yes . . .
F2 C59 C55 114.3(9) yes . . .
F3 C59 C55 113.8(9) yes . . .
F4 C60 F5 105.9(7) yes . . .
F4 C60 F6 106.2(8) yes . . .
F4 C60 C57 112.0(9) yes . . .
F5 C60 F6 106.0(8) yes . . .
F5 C60 C57 114.0(9) yes . . .
F6 C60 C57 112.2(7) yes . . .
C62 C61 C66 116.0(8) yes . . .
C62 C61 B1 119.6(8) yes . . .
C66 C61 B1 124.1(8) yes . . .
C61 C62 C63 121.5(10) yes . . .
C62 C63 C64 120.2(10) yes . . .
C62 C63 C67 113.8(12) yes . . .
C64 C63 C67 125.9(11) yes . . .
C63 C64 C65 121.5(10) yes . . .
C64 C65 C66 118.1(10) yes . . .
C64 C65 C68 119.6(10) yes . . .
C66 C65 C68 122.3(10) yes . . .
C61 C66 C65 122.6(9) yes . . .
F7 C67 F8 107.3(16) yes . . .
F7 C67 F9 114.4(17) yes . . .
F7 C67 C63 118.9(14) yes . . .
F8 C67 F9 94.2(11) yes . . .
F8 C67 C63 105.5(15) yes . . .
F9 C67 C63 112.9(13) yes . . .
F10 C68 F11 106.9(11) yes . . .
F10 C68 F12 104.0(11) yes . . .
F10 C68 C65 113.0(14) yes . . .
F11 C68 F12 100.7(13) yes . . .
F11 C68 C65 116.0(11) yes . . .
F12 C68 C65 114.9(10) yes . . .
C70 C69 C74 116.1(10) yes . . .
C70 C69 B1 121.3(8) yes . . .
C74 C69 B1 122.0(8) yes . . .
C69 C70 C71 121.9(8) yes . . .
C70 C71 C72 119.3(9) yes . . .
C70 C71 C75 120.4(8) yes . . .
C72 C71 C75 120.2(10) yes . . .
C71 C72 C73 119.6(10) yes . . .
C72 C73 C74 121.0(9) yes . . .
C72 C73 C76 119.2(10) yes . . .
C74 C73 C76 119.8(10) yes . . .
C69 C74 C73 122.0(9) yes . . .
F13 C75 F14 101.8(10) yes . . .
F13 C75 F15 108.5(9) yes . . .
F13 C75 C71 112.5(8) yes . . .
F14 C75 F15 106.5(9) yes . . .
F14 C75 C71 111.5(9) yes . . .
F15 C75 C71 115.2(11) yes . . .
F16 C76 F17 104.2(10) yes . . .
F16 C76 F18 107.1(8) yes . . .
F16 C76 C73 110.8(9) yes . . .
F17 C76 F18 106.7(9) yes . . .
F17 C76 C73 112.9(9) yes . . .
F18 C76 C73 114.6(10) yes . . .
C78 C77 C82 114.9(8) yes . . .
C78 C77 B1 123.8(8) yes . . .
C82 C77 B1 121.1(8) yes . . .
C77 C78 C79 122.7(9) yes . . .
C78 C79 C80 120.4(9) yes . . .
C78 C79 C83 120.6(9) yes . . .
C80 C79 C83 119.0(8) yes . . .
C79 C80 C81 118.6(8) yes . . .
C80 C81 C82 121.3(9) yes . . .
C80 C81 C84 118.6(8) yes . . .
C82 C81 C84 120.0(9) yes . . .
C77 C82 C81 122.0(9) yes . . .
F19 C83 F20 106.4(10) yes . . .
F19 C83 F21 103.8(11) yes . . .
F19 C83 C79 114.8(8) yes . . .
F20 C83 F21 102.8(8) yes . . .
F20 C83 C79 114.1(10) yes . . .
F21 C83 C79 113.7(8) yes . . .
F22 C84 F23 101.6(8) yes . . .
F22 C84 F24 106.2(9) yes . . .
F22 C84 C81 111.2(10) yes . . .
F23 C84 F24 110.4(11) yes . . .
F23 C84 C81 112.8(8) yes . . .
F24 C84 C81 113.8(9) yes . . .
C86 C85 C90 115.6(8) yes . . .
C86 C85 B2 122.7(8) yes . . .
C90 C85 B2 121.5(8) yes . . .
C85 C86 C87 120.3(8) yes . . .
C86 C87 C88 121.7(10) yes . . .
C86 C87 C91 118.9(9) yes . . .
C88 C87 C91 119.3(8) yes . . .
C87 C88 C89 119.6(9) yes . . .
C88 C89 C90 119.2(9) yes . . .
C88 C89 C92 122.1(9) yes . . .
C90 C89 C92 118.5(10) yes . . .
C85 C90 C89 123.5(9) yes . . .
F25 C91 F26 101.0(10) yes . . .
F25 C91 F27 108.2(10) yes . . .
F25 C91 C87 113.0(8) yes . . .
F26 C91 F27 107.7(9) yes . . .
F26 C91 C87 112.0(9) yes . . .
F27 C91 C87 114.0(11) yes . . .
F28 C92 F29 89.2(11) yes . . .
F28 C92 F30 123.3(16) yes . . .
F28 C92 C89 112.3(11) yes . . .
F29 C92 F30 101.3(12) yes . . .
F29 C92 C89 110.3(13) yes . . .
F30 C92 C89 115.3(13) yes . . .
C94 C93 C98 116.7(8) yes . . .
C94 C93 B2 121.1(7) yes . . .
C98 C93 B2 121.8(7) yes . . .
C93 C94 C95 121.6(8) yes . . .
C94 C95 C96 121.9(8) yes . . .
C94 C95 C99 119.6(8) yes . . .
C96 C95 C99 118.5(8) yes . . .
C95 C96 C97 116.3(8) yes . . .
C96 C97 C98 122.1(7) yes . . .
C96 C97 C100 117.7(8) yes . . .
C98 C97 C100 120.3(8) yes . . .
C93 C98 C97 121.4(7) yes . . .
F31 C99 F32 104.2(9) yes . . .
F31 C99 F33 104.8(9) yes . . .
F31 C99 C95 115.9(9) yes . . .
F32 C99 F33 103.7(9) yes . . .
F32 C99 C95 113.5(10) yes . . .
F33 C99 C95 113.5(9) yes . . .
F34 C100 F35 104.3(9) yes . . .
F34 C100 F36 101.7(9) yes . . .
F34 C100 C97 112.0(8) yes . . .
F35 C100 F36 106.4(8) yes . . .
F35 C100 C97 114.7(10) yes . . .
F36 C100 C97 116.4(9) yes . . .
C102 C101 C106 116.3(10) yes . . .
C102 C101 B2 121.9(8) yes . . .
C106 C101 B2 121.5(8) yes . . .
C101 C102 C103 121.1(9) yes . . .
C102 C103 C104 121.7(8) yes . . .
C102 C103 C107 118.2(10) yes . . .
C104 C103 C107 120.1(11) yes . . .
C103 C104 C105 118.2(10) yes . . .
C104 C105 C106 120.0(10) yes . . .
C104 C105 C108 119.0(11) yes . . .
C106 C105 C108 121.0(9) yes . . .
C101 C106 C105 122.7(8) yes . . .
F37 C107 F38 103.5(9) yes . . .
F37 C107 F39 106.8(11) yes . . .
F37 C107 C103 109.4(10) yes . . .
F38 C107 F39 108.5(11) yes . . .
F38 C107 C103 114.4(11) yes . . .
F39 C107 C103 113.5(9) yes . . .
F40 C108 F41 107.6(10) yes . . .
F40 C108 F42 102.8(12) yes . . .
F40 C108 C105 111.4(9) yes . . .
F41 C108 F42 106.7(10) yes . . .
F41 C108 C105 115.7(12) yes . . .
F42 C108 C105 111.7(10) yes . . .
C110 C109 C114 115.6(8) yes . . .
C110 C109 B2 120.5(8) yes . . .
C114 C109 B2 123.8(9) yes . . .
C109 C110 C111 122.7(8) yes . . .
C110 C111 C112 120.1(10) yes . . .
C110 C111 C115 116.1(8) yes . . .
C112 C111 C115 123.7(9) yes . . .
C111 C112 C113 119.8(10) yes . . .
C112 C113 C114 119.7(9) yes . . .
C112 C113 C116 120.8(10) yes . . .
C114 C113 C116 119.5(10) yes . . .
C109 C114 C113 122.0(9) yes . . .
F43 C115 F44 106.6(9) yes . . .
F43 C115 F45 105.4(9) yes . . .
F43 C115 C111 114.6(10) yes . . .
F44 C115 F45 104.6(10) yes . . .
F44 C115 C111 112.9(9) yes . . .
F45 C115 C111 112.0(8) yes . . .
F46 C116 F47 102.8(10) yes . . .
F46 C116 F48 104.5(11) yes . . .
F46 C116 C113 115.3(11) yes . . .
F47 C116 F48 105.9(10) yes . . .
F47 C116 C113 113.0(11) yes . . .
F48 C116 C113 114.2(10) yes . . .
C118 C117 C126 121.4(14) yes . . .
C117 C118 C119 122.0(12) yes . . .
C118 C119 C120 117.1(11) yes . . .
C118 C119 C121 124.4(11) yes . . 2_766
C120 C119 C121 118.4(9) yes . . 2_766
C119 C120 C121 121.4(11) yes . . .
C119 C120 C125 122.9(10) yes . . .
C121 C120 C125 115.7(10) yes . . .
C119 C121 C120 120.2(10) yes 2_766 . .
C119 C121 C122 120.1(10) yes 2_766 . .
C120 C121 C122 119.6(12) yes . . .
C121 C122 C123 120.7(11) yes . . .
C122 C123 C124 119.5(14) yes . . .
C123 C124 C125 121.4(15) yes . . .
C120 C125 C124 123.0(12) yes . . .
C120 C125 C126 115.7(13) yes . . .
C124 C125 C126 121.2(14) yes . . .
C117 C126 C125 120.8(16) yes . . .
Cl1 C127 C130 109(3) yes . . .
Cl1 C128 C129 114(3) yes . . .
Cl2 C129 C128 108(3) yes . . .
Cl2 C130 C127 107(3) yes . . .
C53 B1 C61 110.5(8) yes . . .
C53 B1 C69 115.1(7) yes . . .
C53 B1 C77 102.5(7) yes . . .
C61 B1 C69 102.0(8) yes . . .
C61 B1 C77 113.5(7) yes . . .
C69 B1 C77 113.7(8) yes . . .
C85 B2 C93 115.2(7) yes . . .
C85 B2 C101 112.6(8) yes . . .
C85 B2 C109 103.7(7) yes . . .
C93 B2 C101 103.1(7) yes . . .
C93 B2 C109 109.9(8) yes . . .
C101 B2 C109 112.7(7) yes . . .
C2 C1 H1 120.943 no . . .
C6 C1 H1 120.921 no . . .
C1 C2 H2 118.663 no . . .
C3 C2 H2 118.664 no . . .
C2 C3 H3 120.129 no . . .
C4 C3 H3 120.127 no . . .
C4 C5 H5 118.619 no . . .
C6 C5 H5 118.624 no . . .
C1 C6 H6 120.270 no . . .
C5 C6 H6 120.259 no . . .
C4 C7 H7 116.729 no . . .
C8 C7 H7 116.740 no . . .
C7 C8 H8 118.375 no . . .
C9 C8 H8 118.371 no . . .
Pd1 C9 H9 88.441 no . . .
C8 C9 H9 118.539 no . . .
C10 C9 H9 118.541 no . . .
Pd1 C10 H10 94.769 no . . .
C9 C10 H10 118.152 no . . .
C11 C10 H10 118.138 no . . .
C11 C12 H12 118.918 no . . .
C13 C12 H12 118.914 no . . .
C12 C13 H13 119.878 no . . .
C14 C13 H13 119.864 no . . .
C13 C14 H14 119.717 no . . .
C15 C14 H14 119.710 no . . .
C14 C15 H15 120.433 no . . .
C16 C15 H15 120.443 no . . .
Pd1 C17 H17 80.537 no . . .
C16 C17 H17 119.153 no . . .
C18 C17 H17 119.149 no . . .
Pd1 C18 H18 98.045 no . . .
C17 C18 H18 116.292 no . . .
C19 C18 H18 116.310 no . . .
Pd2 C19 H19 104.954 no . . .
C18 C19 H19 118.301 no . . .
C20 C19 H19 118.318 no . . .
Pd2 C20 H20 92.912 no . . .
C19 C20 H20 115.214 no . . .
C21 C20 H20 115.192 no . . .
Pd3 C22 H22 101.067 no . . .
C21 C22 H22 120.367 no . . .
C23 C22 H22 120.356 no . . .
Pd4 C23 H23 93.420 no . . .
C22 C23 H23 119.122 no . . .
C24 C23 H23 119.115 no . . .
Pd4 C24 H24 89.904 no . . .
C23 C24 H24 121.049 no . . .
C25 C24 H24 121.060 no . . .
C24 C25 H25 118.985 no . . .
C26 C25 H25 118.988 no . . .
C21 C26 H26 119.260 no . . .
C25 C26 H26 119.283 no . . .
C28 C27 H27 120.299 no . . .
C32 C27 H27 120.293 no . . .
C27 C28 H28 119.650 no . . .
C29 C28 H28 119.651 no . . .
C28 C29 H29 119.410 no . . .
C30 C29 H29 119.420 no . . .
C30 C31 H31 119.150 no . . .
C32 C31 H31 119.153 no . . .
C27 C32 H32 120.077 no . . .
C31 C32 H32 120.073 no . . .
C30 C33 H33 116.437 no . . .
C34 C33 H33 116.448 no . . .
C33 C34 H34 117.650 no . . .
C35 C34 H34 117.663 no . . .
Pd4 C35 H35 89.167 no . . .
C34 C35 H35 117.633 no . . .
C36 C35 H35 117.641 no . . .
Pd4 C36 H36 91.418 no . . .
C35 C36 H36 119.205 no . . .
C37 C36 H36 119.214 no . . .
C37 C38 H38 119.815 no . . .
C39 C38 H38 119.832 no . . .
C38 C39 H39 120.105 no . . .
C40 C39 H39 120.124 no . . .
C39 C40 H40 119.181 no . . .
C41 C40 H40 119.175 no . . .
C40 C41 H41 120.907 no . . .
C42 C41 H41 120.909 no . . .
Pd4 C43 H43 82.981 no . . .
C42 C43 H43 119.317 no . . .
C44 C43 H43 119.306 no . . .
Pd4 C44 H44 94.153 no . . .
C43 C44 H44 117.348 no . . .
C45 C44 H44 117.370 no . . .
Pd3 C45 H45 99.589 no . . .
C44 C45 H45 118.178 no . . .
C46 C45 H45 118.204 no . . .
Pd3 C46 H46 93.036 no . . .
C45 C46 H46 116.584 no . . .
C47 C46 H46 116.605 no . . .
C47 C48 H48 119.862 no . . .
C49 C48 H48 119.854 no . . .
C48 C49 H49 118.642 no . . .
C50 C49 H49 118.631 no . . .
Pd1 C50 H50 92.023 no . . .
C49 C50 H50 121.424 no . . .
C51 C50 H50 121.407 no . . .
C50 C51 H51 120.083 no . . .
C52 C51 H51 120.079 no . . .
Pd2 C52 H52 103.871 no . . .
C47 C52 H52 118.676 no . . .
C51 C52 H52 118.682 no . . .
C53 C54 H54 118.226 no . . .
C55 C54 H54 118.231 no . . .
C55 C56 H56 121.388 no . . .
C57 C56 H56 121.397 no . . .
C53 C58 H58 118.453 no . . .
C57 C58 H58 118.479 no . . .
C61 C62 H62 119.254 no . . .
C63 C62 H62 119.245 no . . .
C63 C64 H64 119.233 no . . .
C65 C64 H64 119.241 no . . .
C61 C66 H66 118.697 no . . .
C65 C66 H66 118.697 no . . .
C69 C70 H70 119.051 no . . .
C71 C70 H70 119.049 no . . .
C71 C72 H72 120.189 no . . .
C73 C72 H72 120.193 no . . .
C69 C74 H74 118.998 no . . .
C73 C74 H74 118.983 no . . .
C77 C78 H78 118.627 no . . .
C79 C78 H78 118.628 no . . .
C79 C80 H80 120.717 no . . .
C81 C80 H80 120.725 no . . .
C77 C82 H82 118.983 no . . .
C81 C82 H82 118.998 no . . .
C85 C86 H86 119.856 no . . .
C87 C86 H86 119.856 no . . .
C87 C88 H88 120.210 no . . .
C89 C88 H88 120.234 no . . .
C85 C90 H90 118.227 no . . .
C89 C90 H90 118.228 no . . .
C93 C94 H94 119.214 no . . .
C95 C94 H94 119.230 no . . .
C95 C96 H96 121.850 no . . .
C97 C96 H96 121.866 no . . .
C93 C98 H98 119.308 no . . .
C97 C98 H98 119.308 no . . .
C101 C102 H102 119.468 no . . .
C103 C102 H102 119.463 no . . .
C103 C104 H104 120.915 no . . .
C105 C104 H104 120.913 no . . .
C101 C106 H106 118.634 no . . .
C105 C106 H106 118.628 no . . .
C109 C110 H110 118.625 no . . .
C111 C110 H110 118.631 no . . .
C111 C112 H112 120.089 no . . .
C113 C112 H112 120.102 no . . .
C109 C114 H114 118.976 no . . .
C113 C114 H114 118.979 no . . .
C118 C117 H117 119.290 no . . .
C126 C117 H117 119.300 no . . .
C117 C118 H118 119.003 no . . .
C119 C118 H118 119.007 no . . .
C121 C122 H122 119.653 no . . .
C123 C122 H122 119.654 no . . .
C122 C123 H123 120.276 no . . .
C124 C123 H123 120.265 no . . .
C123 C124 H124 119.283 no . . .
C125 C124 H124 119.276 no . . .
C117 C126 H126 119.618 no . . .
C125 C126 H126 119.597 no . . .
Cl1 C127 H12A 109.815 no . . .
Cl1 C127 H12B 109.824 no . . .
C130 C127 H12A 109.816 no . . .
C130 C127 H12B 109.825 no . . .
H12A C127 H12B 108.257 no . . .
Cl1 C128 H12C 108.775 no . . .
Cl1 C128 H12D 108.776 no . . .
C129 C128 H12C 108.772 no . . .
C129 C128 H12D 108.776 no . . .
H12C C128 H12D 107.650 no . . .
Cl2 C129 H12E 110.038 no . . .
Cl2 C129 H12F 110.032 no . . .
C128 C129 H12E 110.045 no . . .
C128 C129 H12F 110.044 no . . .
H12E C129 H12F 108.396 no . . .
Cl2 C130 H13A 110.413 no . . .
Cl2 C130 H13B 110.409 no . . .
C127 C130 H13A 110.424 no . . .
C127 C130 H13B 110.414 no . . .
H13A C130 H13B 108.612 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Pd2 Pd1 C9 C8 -76.2(10) no . . . .
Pd2 Pd1 C9 C10 165.05(18) no . . . .
C9 Pd1 Pd2 C19 -74.8(6) no . . . .
C9 Pd1 Pd2 C20 -91.8(6) no . . . .
C9 Pd1 Pd2 C47 97.5(6) no . . . .
C9 Pd1 Pd2 C52 128.4(6) no . . . .
Pd2 Pd1 C17 C16 143.4(5) no . . . .
Pd2 Pd1 C17 C18 22.0(5) no . . . .
C17 Pd1 Pd2 C19 5.5(3) no . . . .
C17 Pd1 Pd2 C20 -11.5(3) no . . . .
C17 Pd1 Pd2 C47 177.9(3) no . . . .
C17 Pd1 Pd2 C52 -151.2(3) no . . . .
Pd2 Pd1 C18 C17 -154.4(6) no . . . .
Pd2 Pd1 C18 C19 -32.2(4) no . . . .
C18 Pd1 Pd2 C19 19.5(3) no . . . .
C18 Pd1 Pd2 C20 2.5(3) no . . . .
C18 Pd1 Pd2 C47 -168.1(3) no . . . .
C18 Pd1 Pd2 C52 -137.2(3) no . . . .
Pd2 Pd1 C50 C49 61.8(5) no . . . .
Pd2 Pd1 C50 C51 -55.4(5) no . . . .
C50 Pd1 Pd2 C19 -176.8(3) no . . . .
C50 Pd1 Pd2 C20 166.2(3) no . . . .
C50 Pd1 Pd2 C47 -4.5(3) no . . . .
C50 Pd1 Pd2 C52 26.4(3) no . . . .
C9 Pd1 C10 C9 0.0(5) no . . . .
C9 Pd1 C10 C11 122.3(11) no . . . .
C10 Pd1 C9 C8 118.7(11) no . . . .
C10 Pd1 C9 C10 0.0(6) no . . . .
C9 Pd1 C17 C16 -63.4(6) no . . . .
C9 Pd1 C17 C18 175.2(6) no . . . .
C17 Pd1 C9 C8 -158.3(7) no . . . .
C17 Pd1 C9 C10 83.0(5) no . . . .
C9 Pd1 C18 C17 -5.4(6) no . . . .
C9 Pd1 C18 C19 116.7(6) no . . . .
C18 Pd1 C9 C8 -155.2(6) no . . . .
C18 Pd1 C9 C10 86.1(6) no . . . .
C9 Pd1 C50 C49 -91.5(5) no . . . .
C9 Pd1 C50 C51 151.3(5) no . . . .
C50 Pd1 C9 C8 23.8(7) no . . . .
C50 Pd1 C9 C10 -94.9(5) no . . . .
C10 Pd1 C17 C16 -28.3(6) no . . . .
C10 Pd1 C17 C18 -149.7(6) no . . . .
C17 Pd1 C10 C9 -92.5(6) no . . . .
C17 Pd1 C10 C11 29.8(7) no . . . .
C10 Pd1 C18 C17 32.2(6) no . . . .
C10 Pd1 C18 C19 154.4(6) no . . . .
C18 Pd1 C10 C9 -110.1(5) no . . . .
C18 Pd1 C10 C11 12.2(8) no . . . .
C10 Pd1 C50 C49 -126.7(5) no . . . .
C10 Pd1 C50 C51 116.1(6) no . . . .
C50 Pd1 C10 C9 89.9(6) no . . . .
C50 Pd1 C10 C11 -147.8(7) no . . . .
C17 Pd1 C18 C17 0.0(6) no . . . .
C17 Pd1 C18 C19 122.2(10) no . . . .
C18 Pd1 C17 C16 121.4(10) no . . . .
C18 Pd1 C17 C18 0.0(5) no . . . .
C18 Pd1 C50 C49 87.0(7) no . . . .
C18 Pd1 C50 C51 -30.2(10) no . . . .
C50 Pd1 C18 C17 176.3(5) no . . . .
C50 Pd1 C18 C19 -61.6(10) no . . . .
Pd1 Pd2 C19 C18 -29.9(4) no . . . .
Pd1 Pd2 C19 C20 -154.5(5) no . . . .
Pd1 Pd2 C20 C19 29.0(5) no . . . .
Pd1 Pd2 C20 C21 154.5(4) no . . . .
Pd1 Pd2 C47 C46 -176.6(4) no . . . .
Pd1 Pd2 C47 C48 -55.0(5) no . . . .
Pd1 Pd2 C47 C52 62.7(4) no . . . .
Pd1 Pd2 C52 C47 -116.8(4) no . . . .
Pd1 Pd2 C52 C51 3.6(4) no . . . .
Pd3 Pd2 C19 C18 168.8(4) no . . . .
Pd3 Pd2 C19 C20 44.2(5) no . . . .
C19 Pd2 Pd3 C21 -21.6(3) no . . . .
C19 Pd2 Pd3 C22 11.4(3) no . . . .
C19 Pd2 Pd3 C45 160.0(3) no . . . .
C19 Pd2 Pd3 C46 -176.5(3) no . . . .
Pd3 Pd2 C20 C19 -133.0(5) no . . . .
Pd3 Pd2 C20 C21 -7.5(5) no . . . .
C20 Pd2 Pd3 C21 4.7(3) no . . . .
C20 Pd2 Pd3 C22 37.7(3) no . . . .
C20 Pd2 Pd3 C45 -173.7(3) no . . . .
C20 Pd2 Pd3 C46 -150.2(3) no . . . .
Pd3 Pd2 C47 C46 -15.0(4) no . . . .
Pd3 Pd2 C47 C48 106.6(5) no . . . .
Pd3 Pd2 C47 C52 -135.7(4) no . . . .
C47 Pd2 Pd3 C21 165.1(3) no . . . .
C47 Pd2 Pd3 C22 -161.9(3) no . . . .
C47 Pd2 Pd3 C45 -13.3(3) no . . . .
C47 Pd2 Pd3 C46 10.2(3) no . . . .
Pd3 Pd2 C52 C47 44.8(4) no . . . .
Pd3 Pd2 C52 C51 165.2(4) no . . . .
C52 Pd2 Pd3 C21 140.9(2) no . . . .
C52 Pd2 Pd3 C22 173.9(2) no . . . .
C52 Pd2 Pd3 C45 -37.5(3) no . . . .
C52 Pd2 Pd3 C46 -14.0(2) no . . . .
C19 Pd2 C20 C19 0.0(5) no . . . .
C19 Pd2 C20 C21 125.5(10) no . . . .
C20 Pd2 C19 C18 124.6(9) no . . . .
C20 Pd2 C19 C20 0.0(5) no . . . .
C19 Pd2 C52 C47 -175.8(6) no . . . .
C19 Pd2 C52 C51 -55.4(9) no . . . .
C52 Pd2 C19 C18 28.4(10) no . . . .
C52 Pd2 C19 C20 -96.2(8) no . . . .
C20 Pd2 C47 C46 17.6(9) no . . . .
C20 Pd2 C47 C48 139.2(6) no . . . .
C20 Pd2 C47 C52 -103.2(7) no . . . .
C47 Pd2 C20 C19 -166.9(5) no . . . .
C47 Pd2 C20 C21 -41.4(10) no . . . .
C20 Pd2 C52 C47 121.5(5) no . . . .
C20 Pd2 C52 C51 -118.1(6) no . . . .
C52 Pd2 C20 C19 137.3(5) no . . . .
C52 Pd2 C20 C21 -97.2(7) no . . . .
C47 Pd2 C52 C47 0.0(4) no . . . .
C47 Pd2 C52 C51 120.4(8) no . . . .
C52 Pd2 C47 C46 120.7(8) no . . . .
C52 Pd2 C47 C48 -117.7(8) no . . . .
C52 Pd2 C47 C52 0.0(4) no . . . .
Pd2 Pd3 C21 C20 -7.0(4) no . . . .
Pd2 Pd3 C21 C22 116.4(4) no . . . .
Pd2 Pd3 C21 C26 -126.1(5) no . . . .
Pd2 Pd3 C22 C21 -62.1(4) no . . . .
Pd2 Pd3 C22 C23 -179.5(4) no . . . .
Pd2 Pd3 C45 C44 162.3(4) no . . . .
Pd2 Pd3 C45 C46 38.7(4) no . . . .
Pd2 Pd3 C46 C45 -138.7(4) no . . . .
Pd2 Pd3 C46 C47 -16.3(4) no . . . .
Pd4 Pd3 C21 C20 179.0(4) no . . . .
Pd4 Pd3 C21 C22 -57.6(4) no . . . .
Pd4 Pd3 C21 C26 59.9(5) no . . . .
C21 Pd3 Pd4 C23 28.3(3) no . . . .
C21 Pd3 Pd4 C24 -3.2(3) no . . . .
C21 Pd3 Pd4 C43 178.0(3) no . . . .
C21 Pd3 Pd4 C44 -162.9(3) no . . . .
Pd4 Pd3 C22 C21 122.3(4) no . . . .
Pd4 Pd3 C22 C23 4.9(4) no . . . .
C22 Pd3 Pd4 C23 -2.9(2) no . . . .
C22 Pd3 Pd4 C24 -34.4(2) no . . . .
C22 Pd3 Pd4 C43 146.7(2) no . . . .
C22 Pd3 Pd4 C44 165.8(2) no . . . .
Pd4 Pd3 C45 C44 -23.6(4) no . . . .
Pd4 Pd3 C45 C46 -147.2(4) no . . . .
C45 Pd3 Pd4 C23 -152.9(3) no . . . .
C45 Pd3 Pd4 C24 175.5(3) no . . . .
C45 Pd3 Pd4 C43 -3.3(3) no . . . .
C45 Pd3 Pd4 C44 15.8(3) no . . . .
Pd4 Pd3 C46 C45 36.0(4) no . . . .
Pd4 Pd3 C46 C47 158.5(4) no . . . .
C46 Pd3 Pd4 C23 -173.7(3) no . . . .
C46 Pd3 Pd4 C24 154.8(3) no . . . .
C46 Pd3 Pd4 C43 -24.1(3) no . . . .
C46 Pd3 Pd4 C44 -4.9(3) no . . . .
C21 Pd3 C22 C21 0.0(4) no . . . .
C21 Pd3 C22 C23 -117.4(7) no . . . .
C22 Pd3 C21 C20 -123.4(8) no . . . .
C22 Pd3 C21 C22 0.0(4) no . . . .
C22 Pd3 C21 C26 117.5(8) no . . . .
C21 Pd3 C46 C45 -179.0(4) no . . . .
C21 Pd3 C46 C47 -56.6(7) no . . . .
C46 Pd3 C21 C20 31.2(8) no . . . .
C46 Pd3 C21 C22 154.6(4) no . . . .
C46 Pd3 C21 C26 -87.9(7) no . . . .
C22 Pd3 C45 C44 -83.9(7) no . . . .
C22 Pd3 C45 C46 152.5(5) no . . . .
C45 Pd3 C22 C21 -176.5(5) no . . . .
C45 Pd3 C22 C23 66.2(8) no . . . .
C45 Pd3 C46 C45 0.0(4) no . . . .
C45 Pd3 C46 C47 122.4(8) no . . . .
C46 Pd3 C45 C44 123.6(8) no . . . .
C46 Pd3 C45 C46 0.0(4) no . . . .
Pd3 Pd4 C23 C22 5.0(4) no . . . .
Pd3 Pd4 C23 C24 -112.2(5) no . . . .
Pd3 Pd4 C24 C23 60.8(4) no . . . .
Pd3 Pd4 C24 C25 -55.7(5) no . . . .
Pd3 Pd4 C43 C42 150.2(5) no . . . .
Pd3 Pd4 C43 C44 30.5(4) no . . . .
Pd3 Pd4 C44 C43 -145.4(4) no . . . .
Pd3 Pd4 C44 C45 -24.8(4) no . . . .
C23 Pd4 C24 C23 0.0(5) no . . . .
C23 Pd4 C24 C25 -116.5(10) no . . . .
C24 Pd4 C23 C22 117.2(9) no . . . .
C24 Pd4 C23 C24 0.0(5) no . . . .
C23 Pd4 C35 C34 -16.3(6) no . . . .
C23 Pd4 C35 C36 -137.2(4) no . . . .
C35 Pd4 C23 C22 -160.2(5) no . . . .
C35 Pd4 C23 C24 82.6(5) no . . . .
C23 Pd4 C36 C35 53.1(5) no . . . .
C23 Pd4 C36 C37 172.5(4) no . . . .
C36 Pd4 C23 C22 172.3(5) no . . . .
C36 Pd4 C23 C24 55.1(6) no . . . .
C23 Pd4 C43 C42 -152.1(5) no . . . .
C23 Pd4 C43 C44 88.2(8) no . . . .
C43 Pd4 C23 C22 -58.9(9) no . . . .
C43 Pd4 C23 C24 -176.1(5) no . . . .
C23 Pd4 C44 C43 -131.1(4) no . . . .
C23 Pd4 C44 C45 -10.6(8) no . . . .
C44 Pd4 C23 C22 -8.4(7) no . . . .
C44 Pd4 C23 C24 -125.7(5) no . . . .
C24 Pd4 C35 C34 17.7(5) no . . . .
C24 Pd4 C35 C36 -103.2(4) no . . . .
C35 Pd4 C24 C23 -101.2(5) no . . . .
C35 Pd4 C24 C25 142.3(6) no . . . .
C24 Pd4 C36 C35 81.0(5) no . . . .
C24 Pd4 C36 C37 -159.6(5) no . . . .
C36 Pd4 C24 C23 -135.6(5) no . . . .
C36 Pd4 C24 C25 107.9(6) no . . . .
C24 Pd4 C44 C43 180.0(4) no . . . .
C24 Pd4 C44 C45 -59.5(8) no . . . .
C44 Pd4 C24 C23 91.4(6) no . . . .
C44 Pd4 C24 C25 -25.1(9) no . . . .
C35 Pd4 C36 C35 0.0(4) no . . . .
C35 Pd4 C36 C37 119.5(8) no . . . .
C36 Pd4 C35 C34 120.9(8) no . . . .
C36 Pd4 C35 C36 0.0(4) no . . . .
C35 Pd4 C43 C42 -47.7(6) no . . . .
C35 Pd4 C43 C44 -167.5(4) no . . . .
C43 Pd4 C35 C34 -162.8(5) no . . . .
C43 Pd4 C35 C36 76.3(4) no . . . .
C35 Pd4 C44 C43 15.0(5) no . . . .
C35 Pd4 C44 C45 135.5(5) no . . . .
C44 Pd4 C35 C34 -171.4(4) no . . . .
C44 Pd4 C35 C36 67.7(5) no . . . .
C36 Pd4 C43 C42 -13.6(6) no . . . .
C36 Pd4 C43 C44 -133.3(5) no . . . .
C43 Pd4 C36 C35 -100.6(5) no . . . .
C43 Pd4 C36 C37 18.8(5) no . . . .
C36 Pd4 C44 C43 48.2(5) no . . . .
C36 Pd4 C44 C45 168.8(5) no . . . .
C44 Pd4 C36 C35 -126.4(4) no . . . .
C44 Pd4 C36 C37 -6.9(6) no . . . .
C43 Pd4 C44 C43 0.0(4) no . . . .
C43 Pd4 C44 C45 120.5(8) no . . . .
C44 Pd4 C43 C42 119.7(8) no . . . .
C44 Pd4 C43 C44 0.0(4) no . . . .
C127 Cl1 C128 C129 -1(3) no . . . .
C128 Cl1 C127 C130 2(3) no . . . .
C129 Cl2 C130 C127 2(2) no . . . .
C130 Cl2 C129 C128 -1(3) no . . . .
C2 C1 C6 C5 2.1(17) no . . . .
C6 C1 C2 C3 0.4(19) no . . . .
C1 C2 C3 C4 -1.6(18) no . . . .
C2 C3 C4 C5 0.3(15) no . . . .
C2 C3 C4 C7 -177.9(9) no . . . .
C3 C4 C5 C6 2.2(15) no . . . .
C3 C4 C7 C8 -23.1(14) no . . . .
C5 C4 C7 C8 158.7(9) no . . . .
C7 C4 C5 C6 -179.5(9) no . . . .
C4 C5 C6 C1 -3.5(17) no . . . .
C4 C7 C8 C9 174.4(8) no . . . .
C7 C8 C9 Pd1 99.6(10) no . . . .
C7 C8 C9 C10 179.4(8) no . . . .
Pd1 C9 C10 Pd1 0.00(3) no . . . .
Pd1 C9 C10 C11 -92.8(9) no . . . .
C8 C9 C10 Pd1 -103.1(9) no . . . .
C8 C9 C10 C11 164.1(8) no . . . .
Pd1 C10 C11 C12 154.2(8) no . . . .
Pd1 C10 C11 C16 -27.7(12) no . . . .
C9 C10 C11 C12 -127.1(12) no . . . .
C9 C10 C11 C16 50.9(15) no . . . .
C10 C11 C12 C13 176.5(11) no . . . .
C10 C11 C16 C15 -177.3(10) no . . . .
C10 C11 C16 C17 4.9(16) no . . . .
C12 C11 C16 C15 0.8(16) no . . . .
C12 C11 C16 C17 -176.9(10) no . . . .
C16 C11 C12 C13 -1.6(18) no . . . .
C11 C12 C13 C14 2(2) no . . . .
C12 C13 C14 C15 -1(2) no . . . .
C13 C14 C15 C16 -0.1(19) no . . . .
C14 C15 C16 C11 -0.0(17) no . . . .
C14 C15 C16 C17 177.7(10) no . . . .
C11 C16 C17 Pd1 22.8(12) no . . . .
C11 C16 C17 C18 115.6(11) no . . . .
C15 C16 C17 Pd1 -155.0(10) no . . . .
C15 C16 C17 C18 -62.2(15) no . . . .
Pd1 C17 C18 Pd1 0.00(3) no . . . .
Pd1 C17 C18 C19 -95.3(9) no . . . .
C16 C17 C18 Pd1 -104.0(12) no . . . .
C16 C17 C18 C19 160.7(10) no . . . .
Pd1 C18 C19 Pd2 35.0(6) no . . . .
Pd1 C18 C19 C20 108.2(7) no . . . .
C17 C18 C19 Pd2 104.2(10) no . . . .
C17 C18 C19 C20 177.3(9) no . . . .
Pd2 C19 C20 Pd2 0.00(3) no . . . .
Pd2 C19 C20 C21 -98.0(8) no . . . .
C18 C19 C20 Pd2 -80.3(9) no . . . .
C18 C19 C20 C21 -178.3(8) no . . . .
Pd2 C20 C21 Pd3 8.5(7) no . . . .
Pd2 C20 C21 C22 -69.7(10) no . . . .
Pd2 C20 C21 C26 107.1(7) no . . . .
C19 C20 C21 Pd3 84.9(10) no . . . .
C19 C20 C21 C22 6.7(14) no . . . .
C19 C20 C21 C26 -176.5(8) no . . . .
Pd3 C21 C22 Pd3 0.00(3) no . . . .
Pd3 C21 C22 C23 90.0(6) no . . . .
Pd3 C21 C26 C25 -78.5(9) no . . . .
C20 C21 C22 Pd3 90.9(9) no . . . .
C20 C21 C22 C23 -179.0(7) no . . . .
C20 C21 C26 C25 179.5(8) no . . . .
C22 C21 C26 C25 -3.5(13) no . . . .
C26 C21 C22 Pd3 -85.9(8) no . . . .
C26 C21 C22 C23 4.2(12) no . . . .
Pd3 C22 C23 Pd4 -5.5(6) no . . . .
Pd3 C22 C23 C24 68.9(8) no . . . .
C21 C22 C23 Pd4 -75.8(8) no . . . .
C21 C22 C23 C24 -1.3(12) no . . . .
Pd4 C23 C24 Pd4 0.00(3) no . . . .
Pd4 C23 C24 C25 97.0(7) no . . . .
C22 C23 C24 Pd4 -99.3(8) no . . . .
C22 C23 C24 C25 -2.2(12) no . . . .
Pd4 C24 C25 C26 86.1(9) no . . . .
C23 C24 C25 C26 3.0(13) no . . . .
C24 C25 C26 C21 -0.1(15) no . . . .
C28 C27 C32 C31 -1(2) no . . . .
C32 C27 C28 C29 -0(2) no . . . .
C27 C28 C29 C30 2.0(18) no . . . .
C28 C29 C30 C31 -2.2(15) no . . . .
C28 C29 C30 C33 174.5(10) no . . . .
C29 C30 C31 C32 0.7(15) no . . . .
C29 C30 C33 C34 -22.2(16) no . . . .
C31 C30 C33 C34 154.4(10) no . . . .
C33 C30 C31 C32 -176.1(9) no . . . .
C30 C31 C32 C27 1.0(17) no . . . .
C30 C33 C34 C35 -174.7(9) no . . . .
C33 C34 C35 Pd4 99.0(10) no . . . .
C33 C34 C35 C36 178.8(9) no . . . .
Pd4 C35 C36 Pd4 0.000(16) no . . . .
Pd4 C35 C36 C37 -97.1(9) no . . . .
C34 C35 C36 Pd4 -101.7(9) no . . . .
C34 C35 C36 C37 161.2(9) no . . . .
Pd4 C36 C37 C38 163.8(6) no . . . .
Pd4 C36 C37 C42 -23.1(10) no . . . .
C35 C36 C37 C38 -115.8(10) no . . . .
C35 C36 C37 C42 57.3(14) no . . . .
C36 C37 C38 C39 170.0(9) no . . . .
C36 C37 C42 C41 -169.4(9) no . . . .
C36 C37 C42 C43 13.3(15) no . . . .
C38 C37 C42 C41 3.8(15) no . . . .
C38 C37 C42 C43 -173.6(8) no . . . .
C42 C37 C38 C39 -3.3(15) no . . . .
C37 C38 C39 C40 0.8(16) no . . . .
C38 C39 C40 C41 1.3(17) no . . . .
C39 C40 C41 C42 -0.8(17) no . . . .
C40 C41 C42 C37 -1.8(16) no . . . .
C40 C41 C42 C43 175.7(9) no . . . .
C37 C42 C43 Pd4 5.7(12) no . . . .
C37 C42 C43 C44 93.9(12) no . . . .
C41 C42 C43 Pd4 -171.7(9) no . . . .
C41 C42 C43 C44 -83.6(11) no . . . .
Pd4 C43 C44 Pd4 0.00(2) no . . . .
Pd4 C43 C44 C45 -98.4(8) no . . . .
C42 C43 C44 Pd4 -104.4(9) no . . . .
C42 C43 C44 C45 157.3(8) no . . . .
Pd4 C44 C45 Pd3 28.2(6) no . . . .
Pd4 C44 C45 C46 104.9(8) no . . . .
C43 C44 C45 Pd3 102.0(9) no . . . .
C43 C44 C45 C46 178.7(8) no . . . .
Pd3 C45 C46 Pd3 0.00(2) no . . . .
Pd3 C45 C46 C47 -98.7(7) no . . . .
C44 C45 C46 Pd3 -86.2(8) no . . . .
C44 C45 C46 C47 175.1(7) no . . . .
Pd3 C46 C47 Pd2 18.4(6) no . . . .
Pd3 C46 C47 C48 -74.0(8) no . . . .
Pd3 C46 C47 C52 103.6(8) no . . . .
C45 C46 C47 Pd2 94.0(9) no . . . .
C45 C46 C47 C48 1.5(13) no . . . .
C45 C46 C47 C52 179.2(8) no . . . .
Pd2 C47 C48 C49 86.4(8) no . . . .
Pd2 C47 C52 Pd2 0.00(2) no . . . .
Pd2 C47 C52 C51 -88.3(8) no . . . .
C46 C47 C48 C49 -175.9(8) no . . . .
C46 C47 C52 Pd2 -94.0(8) no . . . .
C46 C47 C52 C51 177.7(8) no . . . .
C48 C47 C52 Pd2 83.7(8) no . . . .
C48 C47 C52 C51 -4.6(13) no . . . .
C52 C47 C48 C49 6.4(13) no . . . .
C47 C48 C49 C50 -4.1(15) no . . . .
C48 C49 C50 Pd1 -88.2(10) no . . . .
C48 C49 C50 C51 -0.1(14) no . . . .
Pd1 C50 C51 C52 90.5(8) no . . . .
C49 C50 C51 C52 2.0(14) no . . . .
C50 C51 C52 Pd2 -65.8(10) no . . . .
C50 C51 C52 C47 0.4(15) no . . . .
C54 C53 C58 C57 -2.4(11) no . . . .
C58 C53 C54 C55 2.9(11) no . . . .
C54 C53 B1 C61 40.5(10) no . . . .
C54 C53 B1 C69 155.3(7) no . . . .
C54 C53 B1 C77 -80.7(9) no . . . .
B1 C53 C54 C55 176.9(7) no . . . .
C58 C53 B1 C61 -146.1(8) no . . . .
C58 C53 B1 C69 -31.3(11) no . . . .
C58 C53 B1 C77 92.6(9) no . . . .
B1 C53 C58 C57 -176.2(7) no . . . .
C53 C54 C55 C56 -2.1(13) no . . . .
C53 C54 C55 C59 174.6(7) no . . . .
C54 C55 C56 C57 0.6(12) no . . . .
C54 C55 C59 F1 -76.4(11) no . . . .
C54 C55 C59 F2 42.8(12) no . . . .
C54 C55 C59 F3 164.0(8) no . . . .
C56 C55 C59 F1 100.4(10) no . . . .
C56 C55 C59 F2 -140.5(8) no . . . .
C56 C55 C59 F3 -19.2(12) no . . . .
C59 C55 C56 C57 -176.1(7) no . . . .
C55 C56 C57 C58 -0.1(11) no . . . .
C55 C56 C57 C60 -177.7(7) no . . . .
C56 C57 C58 C53 1.1(12) no . . . .
C56 C57 C60 F4 -36.8(11) no . . . .
C56 C57 C60 F5 -157.1(7) no . . . .
C56 C57 C60 F6 82.4(10) no . . . .
C58 C57 C60 F4 145.5(8) no . . . .
C58 C57 C60 F5 25.3(11) no . . . .
C58 C57 C60 F6 -95.2(10) no . . . .
C60 C57 C58 C53 178.7(7) no . . . .
C62 C61 C66 C65 -1.1(16) no . . . .
C66 C61 C62 C63 -0.9(16) no . . . .
C62 C61 B1 C53 34.4(12) no . . . .
C62 C61 B1 C69 -88.4(11) no . . . .
C62 C61 B1 C77 148.9(9) no . . . .
B1 C61 C62 C63 173.1(9) no . . . .
C66 C61 B1 C53 -152.1(10) no . . . .
C66 C61 B1 C69 85.1(11) no . . . .
C66 C61 B1 C77 -37.6(14) no . . . .
B1 C61 C66 C65 -174.8(9) no . . . .
C61 C62 C63 C64 2.7(19) no . . . .
C61 C62 C63 C67 -179.8(10) no . . . .
C62 C63 C64 C65 -3(2) no . . . .
C62 C63 C67 F7 -75.7(17) no . . . .
C62 C63 C67 F8 163.9(11) no . . . .
C62 C63 C67 F9 62.4(19) no . . . .
C64 C63 C67 F7 102(2) no . . . .
C64 C63 C67 F8 -19(2) no . . . .
C64 C63 C67 F9 -120.4(16) no . . . .
C67 C63 C64 C65 -179.6(13) no . . . .
C63 C64 C65 C66 1(2) no . . . .
C63 C64 C65 C68 -177.4(12) no . . . .
C64 C65 C66 C61 1.3(18) no . . . .
C64 C65 C68 F10 -77.0(16) no . . . .
C64 C65 C68 F11 46.9(18) no . . . .
C64 C65 C68 F12 163.9(12) no . . . .
C66 C65 C68 F10 105.1(13) no . . . .
C66 C65 C68 F11 -131.0(12) no . . . .
C66 C65 C68 F12 -14(2) no . . . .
C68 C65 C66 C61 179.2(12) no . . . .
C70 C69 C74 C73 2.1(12) no . . . .
C74 C69 C70 C71 -1.9(12) no . . . .
C70 C69 B1 C53 150.5(7) no . . . .
C70 C69 B1 C61 -89.9(9) no . . . .
C70 C69 B1 C77 32.7(11) no . . . .
B1 C69 C70 C71 169.3(7) no . . . .
C74 C69 B1 C53 -38.8(11) no . . . .
C74 C69 B1 C61 80.8(9) no . . . .
C74 C69 B1 C77 -156.6(7) no . . . .
B1 C69 C74 C73 -169.0(7) no . . . .
C69 C70 C71 C72 1.5(12) no . . . .
C69 C70 C71 C75 177.3(7) no . . . .
C70 C71 C72 C73 -1.1(13) no . . . .
C70 C71 C75 F13 -115.1(10) no . . . .
C70 C71 C75 F14 131.3(9) no . . . .
C70 C71 C75 F15 9.8(13) no . . . .
C72 C71 C75 F13 60.6(12) no . . . .
C72 C71 C75 F14 -53.0(12) no . . . .
C72 C71 C75 F15 -174.4(8) no . . . .
C75 C71 C72 C73 -176.9(8) no . . . .
C71 C72 C73 C74 1.2(14) no . . . .
C71 C72 C73 C76 179.6(8) no . . . .
C72 C73 C74 C69 -1.8(14) no . . . .
C72 C73 C76 F16 41.6(13) no . . . .
C72 C73 C76 F17 -74.8(12) no . . . .
C72 C73 C76 F18 162.8(9) no . . . .
C74 C73 C76 F16 -140.0(9) no . . . .
C74 C73 C76 F17 103.6(11) no . . . .
C74 C73 C76 F18 -18.8(13) no . . . .
C76 C73 C74 C69 179.8(8) no . . . .
C78 C77 C82 C81 0.4(11) no . . . .
C82 C77 C78 C79 0.3(11) no . . . .
C78 C77 B1 C53 89.4(9) no . . . .
C78 C77 B1 C61 -29.7(12) no . . . .
C78 C77 B1 C69 -145.7(8) no . . . .
B1 C77 C78 C79 -174.8(7) no . . . .
C82 C77 B1 C53 -85.4(9) no . . . .
C82 C77 B1 C61 155.4(8) no . . . .
C82 C77 B1 C69 39.5(11) no . . . .
B1 C77 C82 C81 175.7(7) no . . . .
C77 C78 C79 C80 -0.2(13) no . . . .
C77 C78 C79 C83 -179.6(7) no . . . .
C78 C79 C80 C81 -0.7(13) no . . . .
C78 C79 C83 F19 -1.6(14) no . . . .
C78 C79 C83 F20 121.6(9) no . . . .
C78 C79 C83 F21 -120.9(9) no . . . .
C80 C79 C83 F19 179.0(8) no . . . .
C80 C79 C83 F20 -57.8(12) no . . . .
C80 C79 C83 F21 59.7(12) no . . . .
C83 C79 C80 C81 178.7(8) no . . . .
C79 C80 C81 C82 1.4(13) no . . . .
C79 C80 C81 C84 -175.8(7) no . . . .
C80 C81 C82 C77 -1.3(13) no . . . .
C80 C81 C84 F22 -40.5(12) no . . . .
C80 C81 C84 F23 -153.8(9) no . . . .
C80 C81 C84 F24 79.4(12) no . . . .
C82 C81 C84 F22 142.2(8) no . . . .
C82 C81 C84 F23 28.9(14) no . . . .
C82 C81 C84 F24 -97.9(10) no . . . .
C84 C81 C82 C77 175.9(8) no . . . .
C86 C85 C90 C89 -1.3(12) no . . . .
C90 C85 C86 C87 0.2(11) no . . . .
C86 C85 B2 C93 30.4(12) no . . . .
C86 C85 B2 C101 148.1(7) no . . . .
C86 C85 B2 C109 -89.8(9) no . . . .
B2 C85 C86 C87 175.0(7) no . . . .
C90 C85 B2 C93 -155.1(8) no . . . .
C90 C85 B2 C101 -37.3(11) no . . . .
C90 C85 B2 C109 84.8(10) no . . . .
B2 C85 C90 C89 -176.2(7) no . . . .
C85 C86 C87 C88 2.3(13) no . . . .
C85 C86 C87 C91 178.8(7) no . . . .
C86 C87 C88 C89 -3.5(14) no . . . .
C86 C87 C91 F25 19.1(12) no . . . .
C86 C87 C91 F26 132.4(8) no . . . .
C86 C87 C91 F27 -105.0(10) no . . . .
C88 C87 C91 F25 -164.3(8) no . . . .
C88 C87 C91 F26 -51.1(12) no . . . .
C88 C87 C91 F27 71.5(12) no . . . .
C91 C87 C88 C89 180.0(8) no . . . .
C87 C88 C89 C90 2.4(14) no . . . .
C87 C88 C89 C92 178.7(8) no . . . .
C88 C89 C90 C85 0.1(14) no . . . .
C88 C89 C92 F28 143.2(11) no . . . .
C88 C89 C92 F29 45.4(15) no . . . .
C88 C89 C92 F30 -68.6(17) no . . . .
C90 C89 C92 F28 -40.5(17) no . . . .
C90 C89 C92 F29 -138.3(10) no . . . .
C90 C89 C92 F30 107.7(13) no . . . .
C92 C89 C90 C85 -176.4(10) no . . . .
C94 C93 C98 C97 1.9(14) no . . . .
C98 C93 C94 C95 -1.6(14) no . . . .
C94 C93 B2 C85 -148.4(9) no . . . .
C94 C93 B2 C101 88.6(10) no . . . .
C94 C93 B2 C109 -31.7(12) no . . . .
B2 C93 C94 C95 -175.3(8) no . . . .
C98 C93 B2 C85 38.2(13) no . . . .
C98 C93 B2 C101 -84.8(10) no . . . .
C98 C93 B2 C109 154.9(8) no . . . .
B2 C93 C98 C97 175.6(8) no . . . .
C93 C94 C95 C96 -0.8(15) no . . . .
C93 C94 C95 C99 -179.4(9) no . . . .
C94 C95 C96 C97 2.6(15) no . . . .
C94 C95 C99 F31 -163.9(10) no . . . .
C94 C95 C99 F32 75.6(12) no . . . .
C94 C95 C99 F33 -42.5(15) no . . . .
C96 C95 C99 F31 17.4(15) no . . . .
C96 C95 C99 F32 -103.1(11) no . . . .
C96 C95 C99 F33 138.8(10) no . . . .
C99 C95 C96 C97 -178.7(9) no . . . .
C95 C96 C97 C98 -2.3(14) no . . . .
C95 C96 C97 C100 177.9(8) no . . . .
C96 C97 C98 C93 -0.0(14) no . . . .
C96 C97 C100 F34 -52.5(13) no . . . .
C96 C97 C100 F35 66.1(12) no . . . .
C96 C97 C100 F36 -168.8(9) no . . . .
C98 C97 C100 F34 127.7(9) no . . . .
C98 C97 C100 F35 -113.7(10) no . . . .
C98 C97 C100 F36 11.3(15) no . . . .
C100 C97 C98 C93 179.8(9) no . . . .
C102 C101 C106 C105 -1.0(12) no . . . .
C106 C101 C102 C103 -1.0(12) no . . . .
C102 C101 B2 C85 156.1(8) no . . . .
C102 C101 B2 C93 -79.3(9) no . . . .
C102 C101 B2 C109 39.2(11) no . . . .
B2 C101 C102 C103 172.8(7) no . . . .
C106 C101 B2 C85 -30.4(11) no . . . .
C106 C101 B2 C93 94.3(9) no . . . .
C106 C101 B2 C109 -147.2(8) no . . . .
B2 C101 C106 C105 -174.9(7) no . . . .
C101 C102 C103 C104 2.1(14) no . . . .
C101 C102 C103 C107 -179.1(8) no . . . .
C102 C103 C104 C105 -1.1(14) no . . . .
C102 C103 C107 F37 136.8(10) no . . . .
C102 C103 C107 F38 21.3(14) no . . . .
C102 C103 C107 F39 -104.0(13) no . . . .
C104 C103 C107 F37 -44.4(14) no . . . .
C104 C103 C107 F38 -159.9(10) no . . . .
C104 C103 C107 F39 74.8(14) no . . . .
C107 C103 C104 C105 -179.9(9) no . . . .
C103 C104 C105 C106 -0.9(14) no . . . .
C103 C104 C105 C108 178.8(8) no . . . .
C104 C105 C106 C101 2.0(14) no . . . .
C104 C105 C108 F40 58.5(13) no . . . .
C104 C105 C108 F41 -178.2(9) no . . . .
C104 C105 C108 F42 -55.9(13) no . . . .
C106 C105 C108 F40 -121.8(10) no . . . .
C106 C105 C108 F41 1.5(15) no . . . .
C106 C105 C108 F42 123.8(10) no . . . .
C108 C105 C106 C101 -177.7(8) no . . . .
C110 C109 C114 C113 0.9(11) no . . . .
C114 C109 C110 C111 -1.4(11) no . . . .
C110 C109 B2 C85 87.1(9) no . . . .
C110 C109 B2 C93 -36.6(10) no . . . .
C110 C109 B2 C101 -150.9(7) no . . . .
B2 C109 C110 C111 -177.4(7) no . . . .
C114 C109 B2 C85 -88.5(9) no . . . .
C114 C109 B2 C93 147.9(7) no . . . .
C114 C109 B2 C101 33.5(10) no . . . .
B2 C109 C114 C113 176.7(7) no . . . .
C109 C110 C111 C112 0.6(12) no . . . .
C109 C110 C111 C115 -175.3(7) no . . . .
C110 C111 C112 C113 0.7(12) no . . . .
C110 C111 C115 F43 50.9(11) no . . . .
C110 C111 C115 F44 173.2(7) no . . . .
C110 C111 C115 F45 -69.1(10) no . . . .
C112 C111 C115 F43 -124.8(9) no . . . .
C112 C111 C115 F44 -2.6(13) no . . . .
C112 C111 C115 F45 115.2(9) no . . . .
C115 C111 C112 C113 176.3(8) no . . . .
C111 C112 C113 C114 -1.2(13) no . . . .
C111 C112 C113 C116 176.9(7) no . . . .
C112 C113 C114 C109 0.4(13) no . . . .
C112 C113 C116 F46 147.8(9) no . . . .
C112 C113 C116 F47 30.0(15) no . . . .
C112 C113 C116 F48 -91.2(12) no . . . .
C114 C113 C116 F46 -34.2(13) no . . . .
C114 C113 C116 F47 -152.0(9) no . . . .
C114 C113 C116 F48 86.9(13) no . . . .
C116 C113 C114 C109 -177.7(8) no . . . .
C118 C117 C126 C125 2(2) no . . . .
C126 C117 C118 C119 0.0(19) no . . . .
C117 C118 C119 C120 -2.7(16) no . . . .
C117 C118 C119 C121 -178.3(10) no . . . 2_766
C118 C119 C120 C121 -177.2(8) no . . . .
C118 C119 C120 C125 4.1(14) no . . . .
C118 C119 C121 C120 176.9(9) no . . 2_766 2_766
C118 C119 C121 C122 -6.7(15) no . . 2_766 2_766
C120 C119 C121 C120 1.3(13) no . . 2_766 2_766
C120 C119 C121 C122 177.7(8) no . . 2_766 2_766
C121 C119 C120 C121 -1.3(13) no 2_766 . . .
C121 C119 C120 C125 179.9(8) no 2_766 . . .
C119 C120 C121 C119 1.4(14) no . . . 2_766
C119 C120 C121 C122 177.8(8) no . . . .
C119 C120 C125 C124 179.7(9) no . . . .
C119 C120 C125 C126 -2.6(15) no . . . .
C121 C120 C125 C124 0.9(15) no . . . .
C121 C120 C125 C126 178.6(8) no . . . .
C125 C120 C121 C119 -179.8(8) no . . . 2_766
C125 C120 C121 C122 -3.4(13) no . . . .
C119 C121 C122 C123 -179.8(9) no 2_766 . . .
C120 C121 C122 C123 3.7(16) no . . . .
C121 C122 C123 C124 -1.4(18) no . . . .
C122 C123 C124 C125 -1(2) no . . . .
C123 C124 C125 C120 1.3(19) no . . . .
C123 C124 C125 C126 -176.2(11) no . . . .
C120 C125 C126 C117 -0.2(17) no . . . .
C124 C125 C126 C117 177.5(11) no . . . .
Cl1 C127 C130 Cl2 177(3) no . . . .
Cl1 C128 C129 Cl2 -176(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pd1 C48 3.273(10) no . .
Pd2 C49 3.178(11) no . .
Pd3 C25 3.203(11) no . .
Pd4 C26 3.561(10) no . .
F1 C54 3.064(12) no . .
F1 C56 3.262(11) no . .
F2 C54 2.834(14) no . .
F2 C56 3.534(13) no . .
F3 C54 3.596(13) no . .
F3 C56 2.725(14) no . .
F4 C56 2.765(10) no . .
F4 C58 3.584(10) no . .
F5 C58 2.813(10) no . .
F6 C56 3.125(11) no . .
F6 C58 3.279(10) no . .
F7 C62 2.94(3) no . .
F7 C64 3.25(3) no . .
F8 C62 3.559(13) no . .
F8 C64 2.724(15) no . .
F9 C62 2.899(12) no . .
F9 C64 3.486(15) no . .
F10 C64 3.055(15) no . .
F10 C66 3.332(13) no . .
F11 C64 2.890(18) no . .
F11 C66 3.546(14) no . .
F12 C66 2.793(12) no . .
F13 C70 3.411(13) no . .
F13 C72 2.960(12) no . .
F14 C70 3.521(14) no . .
F14 C72 2.900(12) no . .
F15 C70 2.764(13) no . .
F16 C72 2.778(11) no . .
F16 C74 3.524(12) no . .
F17 C72 3.056(11) no . .
F17 C74 3.308(13) no . .
F18 C72 3.589(11) no . .
F18 C74 2.755(11) no . .
F19 C78 2.718(13) no . .
F19 C80 3.584(13) no . .
F20 C78 3.414(11) no . .
F20 C80 2.910(12) no . .
F21 C78 3.441(11) no . .
F21 C80 2.942(13) no . .
F22 C80 2.781(11) no . .
F22 C82 3.555(10) no . .
F23 C80 3.585(12) no . .
F23 C82 2.777(10) no . .
F24 C80 3.057(13) no . .
F24 C82 3.226(11) no . .
F25 C86 2.730(13) no . .
F25 C88 3.578(14) no . .
F26 C86 3.476(12) no . .
F26 C88 2.834(14) no . .
F27 C86 3.289(12) no . .
F27 C88 2.992(14) no . .
F28 C88 3.597(16) no . .
F28 C90 2.795(14) no . .
F29 C88 2.902(13) no . .
F29 C90 3.553(12) no . .
F30 C88 3.021(18) no . .
F30 C90 3.225(15) no . .
F31 C96 2.735(10) no . .
F32 C94 3.062(13) no . .
F32 C96 3.285(12) no . .
F33 C94 2.821(11) no . .
F33 C96 3.520(11) no . .
F34 C96 2.850(11) no . .
F34 C98 3.462(11) no . .
F35 C96 2.986(11) no . .
F35 C98 3.381(11) no . .
F36 C98 2.777(9) no . .
F37 C102 3.525(13) no . .
F37 C104 2.809(11) no . .
F38 C102 2.750(10) no . .
F39 C102 3.296(13) no . .
F39 C104 3.067(12) no . .
F40 C104 2.915(12) no . .
F40 C106 3.436(15) no . .
F41 C106 2.751(14) no . .
F42 C104 2.883(12) no . .
F42 C106 3.426(14) no . .
F43 C110 2.857(12) no . .
F43 C112 3.466(12) no . .
F44 C112 2.756(14) no . .
F45 C110 2.977(13) no . .
F45 C112 3.402(13) no . .
F46 C112 3.585(14) no . .
F46 C114 2.818(11) no . .
F47 C112 2.762(13) no . .
F47 C114 3.578(11) no . .
F48 C112 3.198(13) no . .
F48 C114 3.164(12) no . .
C1 C4 2.813(15) no . .
C2 C5 2.72(2) no . .
C3 C6 2.778(17) no . .
C3 C8 3.054(14) no . .
C8 C49 3.408(14) no . .
C8 C50 3.313(14) no . .
C9 C16 3.123(14) no . .
C11 C14 2.819(18) no . .
C11 C18 3.535(16) no . .
C12 C15 2.78(3) no . .
C13 C16 2.79(2) no . .
C15 C18 3.169(16) no . .
C19 C22 3.156(15) no . .
C21 C24 2.848(16) no . .
C22 C25 2.791(14) no . .
C23 C26 2.783(15) no . .
C23 C34 3.452(14) no . .
C24 C34 3.186(15) no . .
C27 C30 2.810(17) no . .
C28 C31 2.741(15) no . .
C29 C32 2.760(15) no . .
C29 C34 3.032(15) no . .
C35 C38 3.562(14) no . .
C35 C42 3.151(15) no . .
C37 C40 2.743(15) no . .
C37 C44 3.415(15) no . .
C38 C41 2.774(16) no . .
C39 C42 2.765(15) no . .
C41 C44 3.307(14) no . .
C45 C48 3.024(15) no . .
C47 C50 2.865(15) no . .
C48 C51 2.809(15) no . .
C49 C52 2.773(13) no . .
C53 C56 2.880(13) no . .
C53 C62 3.039(13) no . .
C53 C74 3.216(15) no . .
C53 C78 3.388(11) no . .
C53 C82 3.322(11) no . .
C54 C57 2.751(12) no . .
C54 C61 3.076(14) no . .
C54 C62 3.120(14) no . .
C54 C77 3.254(12) no . .
C54 C78 3.579(11) no . .
C55 C58 2.740(15) no . .
C58 C69 3.207(14) no . .
C58 C74 3.313(14) no . .
C58 C77 3.421(11) no . .
C61 C64 2.807(14) no . .
C61 C70 3.363(14) no . .
C61 C74 3.295(14) no . .
C61 C78 3.161(12) no . .
C62 C65 2.770(15) no . .
C62 C69 3.358(14) no . .
C62 C74 3.546(14) no . .
C63 C66 2.760(14) no . .
C66 C69 3.340(13) no . .
C66 C77 3.197(12) no . .
C66 C78 3.247(13) no . .
C69 C72 2.833(16) no . .
C69 C82 3.172(12) no . .
C70 C73 2.757(12) no . .
C70 C77 3.130(14) no . .
C70 C82 3.227(13) no . .
C71 C74 2.763(13) no . .
C77 C80 2.848(12) no . .
C78 C81 2.741(13) no . .
C79 C82 2.753(14) no . .
C85 C88 2.837(12) no . .
C85 C98 3.224(11) no . .
C85 C106 3.101(15) no . .
C85 C110 3.334(12) no . .
C85 C114 3.396(11) no . .
C86 C89 2.776(13) no . .
C86 C93 3.196(12) no . .
C86 C98 3.281(12) no . .
C86 C109 3.417(11) no . .
C87 C90 2.746(14) no . .
C90 C101 3.115(13) no . .
C90 C106 3.131(14) no . .
C90 C109 3.317(11) no . .
C93 C96 2.849(12) no . .
C93 C102 3.311(14) no . .
C93 C106 3.466(14) no . .
C93 C110 3.055(13) no . .
C94 C97 2.746(11) no . .
C94 C101 3.404(13) no . .
C94 C102 3.591(14) no . .
C94 C109 3.061(11) no . .
C94 C110 3.050(13) no . .
C95 C98 2.747(11) no . .
C98 C101 3.376(12) no . .
C101 C104 2.841(16) no . .
C101 C114 3.164(14) no . .
C102 C105 2.767(14) no . .
C102 C109 3.162(14) no . .
C102 C114 3.259(14) no . .
C103 C106 2.734(12) no . .
C109 C112 2.842(13) no . .
C110 C113 2.752(13) no . .
C111 C114 2.761(15) no . .
C117 C120 2.775(17) no . .
C118 C122 2.93(2) no . 2_766
C118 C125 2.844(19) no . .
C119 C119 2.918(14) no . 2_766
C119 C126 2.84(3) no . .
C120 C120 2.872(16) no . 2_766
C120 C123 2.797(19) no . .
C121 C121 2.889(17) no . 2_766
C121 C124 2.77(2) no . .
C122 C125 2.722(17) no . .
Pd1 F2 3.467(9) no . .
Pd3 F45 3.531(7) no . 1_665
Pd4 F6 3.285(6) no . .
Cl1 F24 3.573(9) no . 2_656
Cl2 F25 3.593(8) no . 2_556
Cl2 F45 3.390(8) no . 2_556
F1 F46 3.084(11) no . 1_565
F1 C7 3.561(15) no . .
F1 C7 3.585(12) no . 2_667
F1 C8 3.299(11) no . 2_667
F1 C9 3.545(11) no . 2_667
F2 Pd1 3.467(9) no . .
F2 C3 3.597(14) no . 2_667
F2 C9 3.466(15) no . .
F2 C17 3.310(14) no . .
F3 F38 3.422(10) no . 1_565
F3 F39 2.856(11) no . 1_565
F3 C7 3.476(13) no . .
F3 C48 3.287(15) no . .
F3 C49 3.294(16) no . .
F4 F33 3.388(9) no . 1_565
F4 F38 3.581(11) no . 1_565
F4 C94 3.503(9) no . 1_565
F4 C109 3.343(9) no . 1_565
F4 C110 3.379(10) no . 1_565
F4 C111 3.477(11) no . 1_565
F4 C112 3.523(12) no . 1_565
F4 C113 3.481(11) no . 1_565
F4 C114 3.377(9) no . 1_565
F5 F43 3.093(9) no . 1_565
F5 F44 3.504(10) no . 1_565
F5 C33 3.559(11) no . .
F5 C111 3.399(10) no . 1_565
F5 C112 3.509(10) no . 1_565
F5 C115 3.469(12) no . 1_565
F6 Pd4 3.285(6) no . .
F6 F33 3.232(10) no . 1_565
F6 C23 3.420(10) no . .
F6 C33 3.374(12) no . .
F6 C35 3.332(10) no . .
F7 C8 3.27(3) no . 2_667
F8 F28 2.738(14) no . 2_557
F8 F29 3.201(13) no . 2_557
F8 F42 3.361(17) no . .
F8 C13 3.373(17) no . 1_455
F8 C14 3.287(16) no . 1_455
F8 C92 3.546(18) no . 2_557
F9 F40 3.247(13) no . .
F9 F42 3.553(13) no . .
F9 F47 3.386(11) no . 1_565
F9 C13 3.442(16) no . 1_455
F9 C14 3.119(16) no . 1_455
F10 F10 2.999(12) no . 2_657
F10 F29 2.933(11) no . 1_655
F10 F30 3.342(15) no . 1_655
F11 F39 3.451(15) no . .
F11 C1 3.219(16) no . 1_545
F11 C2 3.461(16) no . 1_545
F11 C6 3.336(16) no . 1_545
F12 F29 2.879(12) no . 1_655
F12 F37 2.892(12) no . .
F12 F39 3.466(13) no . .
F12 C88 3.372(12) no . 1_655
F13 C27 3.499(14) no . .
F14 F38 3.577(10) no . .
F14 C94 3.383(14) no . .
F14 C95 3.414(14) no . .
F14 C102 3.270(12) no . .
F14 C103 3.307(13) no . .
F15 F26 2.974(11) no . 1_655
F15 F27 3.305(14) no . 1_655
F15 F37 3.365(12) no . .
F15 C91 3.574(14) no . 1_655
F16 F20 3.545(10) no . 1_455
F16 F21 2.879(9) no . 1_455
F16 F36 3.068(11) no . .
F16 F40 3.512(12) no . .
F16 F41 3.421(13) no . .
F17 F34 3.544(12) no . .
F17 F36 3.361(11) no . .
F17 F44 2.852(10) no . 1_565
F17 C117 3.389(16) no . 1_455
F18 F40 3.550(11) no . .
F18 F44 3.319(10) no . 1_565
F19 F30 3.167(17) no . 1_655
F19 C1 3.472(15) no . 2_667
F20 F16 3.545(10) no . 1_655
F20 F41 3.201(14) no . 1_655
F20 C85 3.386(10) no . 1_655
F20 C86 3.544(12) no . 1_655
F20 C87 3.571(13) no . 1_655
F20 C88 3.408(13) no . 1_655
F20 C89 3.244(12) no . 1_655
F20 C90 3.221(10) no . 1_655
F20 C106 3.555(11) no . 1_655
F21 F16 2.879(9) no . 1_655
F21 F41 3.207(11) no . 1_655
F21 C18 3.128(12) no . .
F21 C19 2.958(10) no . .
F21 C20 3.187(10) no . .
F22 F35 3.350(10) no . 1_655
F22 F36 2.911(9) no . 1_655
F22 C23 3.538(10) no . .
F22 C24 3.165(10) no . .
F22 C25 3.225(13) no . .
F22 C26 3.599(14) no . .
F22 C122 3.352(14) no . 2_766
F22 C123 3.417(15) no . 2_766
F23 C23 3.303(13) no . .
F23 C24 3.311(13) no . .
F23 C27 3.574(17) no . .
F23 C28 3.281(16) no . .
F23 C29 3.158(13) no . .
F23 C30 3.309(11) no . .
F23 C31 3.578(12) no . .
F24 Cl1 3.573(9) no . 2_656
F24 F27 3.348(12) no . 1_655
F24 F35 3.562(14) no . 1_655
F24 C128 3.43(3) no . 2_656
F25 Cl2 3.593(8) no . 2_556
F25 C44 3.402(14) no . 1_445
F25 C45 3.386(13) no . 1_445
F25 C46 3.397(11) no . 1_445
F25 C130 3.27(5) no . 2_556
F26 F15 2.974(11) no . 1_455
F26 F37 2.755(9) no . 1_455
F26 C45 3.062(12) no . 1_445
F26 C46 3.200(10) no . 1_445
F26 C47 3.429(10) no . 1_445
F26 C48 3.531(12) no . 1_445
F27 F15 3.305(14) no . 1_455
F27 F24 3.348(12) no . 1_455
F27 C77 3.382(11) no . 1_455
F27 C78 3.507(13) no . 1_455
F27 C79 3.493(14) no . 1_455
F27 C80 3.321(13) no . 1_455
F27 C81 3.123(11) no . 1_455
F27 C82 3.158(10) no . 1_455
F28 F8 2.738(14) no . 2_557
F28 C13 3.365(18) no . 2_657
F28 C50 3.509(17) no . 1_445
F28 C51 3.520(17) no . 1_445
F29 F8 3.201(13) no . 2_557
F29 F10 2.933(11) no . 1_455
F29 F12 2.879(12) no . 1_455
F29 C49 3.470(15) no . 1_445
F29 C50 3.029(14) no . 1_445
F29 C68 3.531(16) no . 1_455
F30 F10 3.342(15) no . 1_455
F30 F19 3.167(17) no . 1_455
F31 C40 3.556(13) no . 2_666
F33 F4 3.388(9) no . 1_545
F33 F6 3.232(10) no . 1_545
F33 C42 3.543(13) no . 1_545
F33 C43 3.458(13) no . 1_545
F34 F17 3.544(12) no . .
F34 C38 3.507(12) no . 2_666
F34 C39 3.569(13) no . 2_666
F34 C118 3.373(14) no . 1_455
F35 F22 3.350(10) no . 1_455
F35 F24 3.562(14) no . 1_455
F35 C122 3.541(13) no . 2_666
F35 C128 3.54(5) no . 2_556
F36 F16 3.068(11) no . .
F36 F17 3.361(11) no . .
F36 F22 2.911(9) no . 1_455
F36 C80 3.553(11) no . 1_455
F37 F12 2.892(12) no . .
F37 F15 3.365(12) no . .
F37 F26 2.755(9) no . 1_655
F38 F3 3.422(10) no . 1_545
F38 F4 3.581(11) no . 1_545
F38 F14 3.577(10) no . .
F38 C48 3.584(12) no . 1_545
F39 F3 2.856(11) no . 1_545
F39 F11 3.451(15) no . .
F39 F12 3.466(13) no . .
F39 C5 3.523(13) no . 1_545
F39 C48 3.499(11) no . 1_545
F39 C49 3.547(12) no . 1_545
F40 F9 3.247(13) no . .
F40 F16 3.512(12) no . .
F40 F18 3.550(11) no . .
F40 C62 3.325(16) no . .
F40 C63 3.281(17) no . .
F40 C73 3.211(13) no . .
F40 C74 3.256(12) no . .
F40 C76 3.592(14) no . .
F41 F16 3.421(13) no . .
F41 F20 3.201(14) no . 1_455
F41 F21 3.207(11) no . 1_455
F42 F8 3.361(17) no . .
F42 F9 3.553(13) no . .
F42 C64 3.485(17) no . .
F43 F5 3.093(9) no . 1_545
F43 C124 3.302(15) no . 1_445
F43 C125 3.304(16) no . 1_445
F43 C126 3.141(18) no . 1_445
F44 F5 3.504(10) no . 1_545
F44 F17 2.852(10) no . 1_545
F44 F18 3.319(10) no . 1_545
F44 C26 3.504(14) no . 1_445
F44 C117 3.443(17) no . 1_445
F44 C126 3.459(16) no . 1_445
F45 Pd3 3.531(7) no . 1_445
F45 Cl2 3.390(8) no . 2_556
F45 C26 3.198(14) no . 1_445
F45 C46 3.498(10) no . 1_445
F46 F1 3.084(11) no . 1_545
F47 F9 3.386(11) no . 1_545
F48 C51 3.546(12) no . 1_445
C1 F11 3.219(16) no . 1_565
C1 F19 3.472(15) no . 2_667
C2 F11 3.461(16) no . 1_565
C3 F2 3.597(14) no . 2_667
C5 F39 3.523(13) no . 1_565
C6 F11 3.336(16) no . 1_565
C6 C15 3.421(17) no . 2_667
C6 C16 3.470(17) no . 2_667
C7 F1 3.561(15) no . .
C7 F1 3.585(12) no . 2_667
C7 F3 3.476(13) no . .
C7 C7 3.558(15) no . 2_667
C8 F1 3.299(11) no . 2_667
C8 F7 3.27(3) no . 2_667
C9 F1 3.545(11) no . 2_667
C9 F2 3.466(15) no . .
C13 F8 3.373(17) no . 1_655
C13 F9 3.442(16) no . 1_655
C13 F28 3.365(18) no . 2_657
C14 F8 3.287(16) no . 1_655
C14 F9 3.119(16) no . 1_655
C15 C6 3.421(17) no . 2_667
C16 C6 3.470(17) no . 2_667
C17 F2 3.310(14) no . .
C18 F21 3.128(12) no . .
C19 F21 2.958(10) no . .
C20 F21 3.187(10) no . .
C23 F6 3.420(10) no . .
C23 F22 3.538(10) no . .
C23 F23 3.303(13) no . .
C24 F22 3.165(10) no . .
C24 F23 3.311(13) no . .
C25 F22 3.225(13) no . .
C25 C121 3.509(15) no . 2_766
C26 F22 3.599(14) no . .
C26 F44 3.504(14) no . 1_665
C26 F45 3.198(14) no . 1_665
C27 F13 3.499(14) no . .
C27 F23 3.574(17) no . .
C27 C38 3.395(19) no . 2_666
C28 F23 3.281(16) no . .
C29 F23 3.158(13) no . .
C30 F23 3.309(11) no . .
C31 F23 3.578(12) no . .
C33 F5 3.559(11) no . .
C33 F6 3.374(12) no . .
C35 F6 3.332(10) no . .
C38 F34 3.507(12) no . 2_666
C38 C27 3.395(19) no . 2_666
C39 F34 3.569(13) no . 2_666
C40 F31 3.556(13) no . 2_666
C42 F33 3.543(13) no . 1_565
C43 F33 3.458(13) no . 1_565
C44 F25 3.402(14) no . 1_665
C45 F25 3.386(13) no . 1_665
C45 F26 3.062(12) no . 1_665
C46 F25 3.397(11) no . 1_665
C46 F26 3.200(10) no . 1_665
C46 F45 3.498(10) no . 1_665
C47 F26 3.429(10) no . 1_665
C48 F3 3.287(15) no . .
C48 F26 3.531(12) no . 1_665
C48 F38 3.584(12) no . 1_565
C48 F39 3.499(11) no . 1_565
C49 F3 3.294(16) no . .
C49 F29 3.470(15) no . 1_665
C49 F39 3.547(12) no . 1_565
C50 F28 3.509(17) no . 1_665
C50 F29 3.029(14) no . 1_665
C51 F28 3.520(17) no . 1_665
C51 F48 3.546(12) no . 1_665
C51 C89 3.550(14) no . 1_665
C62 F40 3.325(16) no . .
C63 F40 3.281(17) no . .
C64 F42 3.485(17) no . .
C68 F29 3.531(16) no . 1_655
C73 F40 3.211(13) no . .
C74 F40 3.256(12) no . .
C76 F40 3.592(14) no . .
C77 F27 3.382(11) no . 1_655
C78 F27 3.507(13) no . 1_655
C79 F27 3.493(14) no . 1_655
C80 F27 3.321(13) no . 1_655
C80 F36 3.553(11) no . 1_655
C81 F27 3.123(11) no . 1_655
C82 F27 3.158(10) no . 1_655
C85 F20 3.386(10) no . 1_455
C86 F20 3.544(12) no . 1_455
C87 F20 3.571(13) no . 1_455
C88 F12 3.372(12) no . 1_455
C88 F20 3.408(13) no . 1_455
C89 F20 3.244(12) no . 1_455
C89 C51 3.550(14) no . 1_445
C90 F20 3.221(10) no . 1_455
C91 F15 3.574(14) no . 1_455
C92 F8 3.546(18) no . 2_557
C94 F4 3.503(9) no . 1_545
C94 F14 3.383(14) no . .
C95 F14 3.414(14) no . .
C102 F14 3.270(12) no . .
C103 F14 3.307(13) no . .
C106 F20 3.555(11) no . 1_455
C109 F4 3.343(9) no . 1_545
C110 F4 3.379(10) no . 1_545
C111 F4 3.477(11) no . 1_545
C111 F5 3.399(10) no . 1_545
C112 F4 3.523(12) no . 1_545
C112 F5 3.509(10) no . 1_545
C113 F4 3.481(11) no . 1_545
C114 F4 3.377(9) no . 1_545
C115 F5 3.469(12) no . 1_545
C117 F17 3.389(16) no . 1_655
C117 F44 3.443(17) no . 1_665
C118 F34 3.373(14) no . 1_655
C121 C25 3.509(15) no . 2_766
C122 F22 3.352(14) no . 2_766
C122 F35 3.541(13) no . 2_666
C123 F22 3.417(15) no . 2_766
C124 F43 3.302(15) no . 1_665
C125 F43 3.304(16) no . 1_665
C126 F43 3.141(18) no . 1_665
C126 F44 3.459(16) no . 1_665
C128 F24 3.43(3) no . 2_656
C128 F35 3.54(5) no . 2_556
C130 F25 3.27(5) no . 2_556
Pd1 H8 3.4944 no . .
Pd1 H19 3.5030 no . .
Pd1 H49 3.0327 no . .
Pd1 H51 3.0200 no . .
Pd2 H17 3.5918 no . .
Pd2 H18 2.7808 no . .
Pd2 H22 3.5502 no . .
Pd2 H46 3.1329 no . .
Pd2 H48 3.0099 no . .
Pd3 H20 3.2688 no . .
Pd3 H23 3.5349 no . .
Pd3 H26 3.2053 no . .
Pd3 H43 3.5971 no . .
Pd3 H44 2.9199 no . .
Pd3 H48 3.5174 no . .
Pd4 H25 3.3631 no . .
Pd4 H34 3.5253 no . .
Pd4 H45 3.4807 no . .
Cl1 H12E 2.9065 no . .
Cl1 H12F 2.8443 no . .
Cl1 H13A 2.7977 no . .
Cl1 H13B 2.8503 no . .
Cl2 H12A 2.7128 no . .
Cl2 H12B 2.7671 no . .
Cl2 H12C 2.7636 no . .
Cl2 H12D 2.6961 no . .
F1 H54 3.0375 no . .
F1 H56 3.3975 no . .
F2 H54 2.5651 no . .
F3 H56 2.4336 no . .
F4 H56 2.5227 no . .
F5 H58 2.5095 no . .
F6 H56 3.1556 no . .
F6 H58 3.3531 no . .
F7 H62 2.8472 no . .
F7 H64 3.3787 no . .
F8 H64 2.4196 no . .
F9 H62 2.7173 no . .
F10 H64 3.0088 no . .
F10 H66 3.4603 no . .
F11 H64 2.6948 no . .
F12 H66 2.4808 no . .
F13 H70 3.5851 no . .
F13 H72 2.8683 no . .
F14 H72 2.7278 no . .
F15 H70 2.4506 no . .
F16 H72 2.5422 no . .
F17 H72 3.0132 no . .
F17 H74 3.4054 no . .
F18 H74 2.4324 no . .
F19 H78 2.3847 no . .
F20 H78 3.5922 no . .
F20 H80 2.7930 no . .
F21 H80 2.8138 no . .
F22 H80 2.5251 no . .
F23 H82 2.4650 no . .
F24 H80 3.0722 no . .
F24 H82 3.3197 no . .
F25 H86 2.4074 no . .
F26 H88 2.6573 no . .
F27 H86 3.4048 no . .
F27 H88 2.9333 no . .
F28 H90 2.5068 no . .
F29 H88 2.7056 no . .
F30 H88 3.0024 no . .
F30 H90 3.3313 no . .
F31 H96 2.4514 no . .
F32 H94 3.0194 no . .
F32 H96 3.4102 no . .
F33 H94 2.5863 no . .
F34 H96 2.7065 no . .
F35 H96 2.8990 no . .
F35 H98 3.5295 no . .
F36 H98 2.4500 no . .
F37 H104 2.6048 no . .
F38 H102 2.4308 no . .
F39 H102 3.3845 no . .
F39 H104 3.0453 no . .
F40 H104 2.7856 no . .
F41 H106 2.4271 no . .
F42 H104 2.7568 no . .
F43 H110 2.6615 no . .
F44 H112 2.4534 no . .
F45 H110 2.8315 no . .
F45 H112 3.5905 no . .
F46 H114 2.5423 no . .
F47 H112 2.4934 no . .
F48 H112 3.2804 no . .
F48 H114 3.1945 no . .
C1 H3 3.2651 no . .
C1 H5 3.2387 no . .
C2 H6 3.2414 no . .
C3 H1 3.2692 no . .
C3 H5 3.2434 no . .
C3 H7 3.2976 no . .
C3 H8 2.8138 no . .
C4 H2 3.2502 no . .
C4 H6 3.2802 no . .
C4 H8 2.7032 no . .
C4 H49 3.4666 no . .
C5 H1 3.2501 no . .
C5 H3 3.2517 no . .
C5 H7 2.6271 no . .
C6 H2 3.2337 no . .
C7 H3 2.6890 no . .
C7 H5 2.6107 no . .
C7 H9 2.6518 no . .
C7 H49 2.9517 no . .
C8 H3 2.8053 no . .
C8 H10 2.6452 no . .
C8 H49 2.9097 no . .
C8 H50 2.7557 no . .
C9 H7 2.6047 no . .
C9 H17 2.6159 no . .
C9 H49 3.4968 no . .
C9 H50 2.9912 no . .
C10 H8 2.6508 no . .
C10 H12 2.6759 no . .
C10 H17 2.9381 no . .
C10 H50 2.9153 no . .
C11 H9 2.6792 no . .
C11 H13 3.2994 no . .
C11 H15 3.3074 no . .
C11 H17 2.8692 no . .
C11 H18 3.5723 no . .
C12 H10 2.8183 no . .
C12 H14 3.2318 no . .
C13 H15 3.2669 no . .
C14 H12 3.2271 no . .
C15 H13 3.2683 no . .
C15 H17 3.1891 no . .
C15 H18 3.1291 no . .
C16 H9 2.9021 no . .
C16 H10 3.2181 no . .
C16 H12 3.2700 no . .
C16 H14 3.2809 no . .
C16 H18 2.6379 no . .
C17 H9 2.5796 no . .
C17 H15 2.6757 no . .
C17 H19 2.7223 no . .
C18 H15 3.0648 no . .
C18 H20 2.6009 no . .
C19 H17 2.7404 no . .
C19 H22 2.9226 no . .
C20 H18 2.6286 no . .
C20 H22 2.7703 no . .
C20 H26 2.5866 no . .
C21 H19 2.7776 no . .
C21 H23 3.3181 no . .
C21 H25 3.2714 no . .
C22 H19 2.9023 no . .
C22 H20 3.3644 no . .
C22 H24 3.3046 no . .
C22 H26 3.3004 no . .
C23 H25 3.2521 no . .
C24 H22 3.2992 no . .
C24 H26 3.2744 no . .
C24 H34 3.0559 no . .
C24 H36 3.1853 no . .
C25 H23 3.2538 no . .
C26 H20 2.5384 no . .
C26 H22 3.3003 no . .
C26 H24 3.2810 no . .
C27 H29 3.2572 no . .
C27 H31 3.2422 no . .
C28 H32 3.2350 no . .
C29 H27 3.2616 no . .
C29 H31 3.2340 no . .
C29 H33 3.2981 no . .
C29 H34 2.7456 no . .
C30 H23 3.5229 no . .
C30 H28 3.2685 no . .
C30 H32 3.2880 no . .
C30 H34 2.6470 no . .
C31 H27 3.2558 no . .
C31 H29 3.2343 no . .
C31 H33 2.6332 no . .
C32 H28 3.2282 no . .
C33 H23 2.9595 no . .
C33 H24 3.2833 no . .
C33 H29 2.6799 no . .
C33 H31 2.6129 no . .
C33 H35 2.6490 no . .
C34 H23 2.9794 no . .
C34 H24 2.4694 no . .
C34 H29 2.8043 no . .
C34 H36 2.7362 no . .
C35 H23 3.3206 no . .
C35 H24 2.8524 no . .
C35 H33 2.5827 no . .
C35 H43 3.0298 no . .
C36 H24 3.0225 no . .
C36 H34 2.7106 no . .
C36 H38 2.6583 no . .
C36 H43 3.1998 no . .
C37 H35 2.6743 no . .
C37 H39 3.2568 no . .
C37 H41 3.2564 no . .
C37 H43 3.0246 no . .
C37 H44 3.3459 no . .
C38 H36 2.8770 no . .
C38 H40 3.2039 no . .
C39 H41 3.2732 no . .
C40 H38 3.2123 no . .
C41 H39 3.2713 no . .
C41 H43 3.0516 no . .
C41 H44 3.4251 no . .
C42 H35 2.9232 no . .
C42 H36 3.2007 no . .
C42 H38 3.2632 no . .
C42 H40 3.2339 no . .
C42 H44 2.6874 no . .
C43 H35 2.8359 no . .
C43 H36 3.5758 no . .
C43 H41 2.6369 no . .
C43 H45 2.7146 no . .
C44 H41 3.3087 no . .
C44 H46 2.6191 no . .
C45 H43 2.7432 no . .
C45 H48 2.7451 no . .
C46 H44 2.6558 no . .
C46 H48 2.7026 no . .
C46 H52 2.6347 no . .
C47 H45 2.7048 no . .
C47 H49 3.2946 no . .
C47 H51 3.2998 no . .
C48 H45 2.7217 no . .
C48 H46 3.3476 no . .
C48 H50 3.2983 no . .
C48 H52 3.2796 no . .
C49 H8 3.4930 no . .
C49 H51 3.2889 no . .
C50 H8 3.1529 no . .
C50 H10 3.0455 no . .
C50 H48 3.2917 no . .
C50 H52 3.3033 no . .
C51 H49 3.2847 no . .
C52 H46 2.6199 no . .
C52 H48 3.2792 no . .
C52 H50 3.3144 no . .
C53 H62 2.6691 no . .
C53 H74 2.8775 no . .
C53 H78 3.4837 no . .
C53 H82 3.3697 no . .
C54 H56 3.2845 no . .
C54 H58 3.2113 no . .
C54 H62 2.7121 no . .
C54 H78 3.4082 no . .
C56 H54 3.2651 no . .
C56 H58 3.2768 no . .
C58 H54 3.2118 no . .
C58 H56 3.2985 no . .
C58 H74 2.8644 no . .
C58 H82 3.4457 no . .
C59 H54 2.5954 no . .
C59 H56 2.6575 no . .
C60 H56 2.6454 no . .
C60 H58 2.6689 no . .
C61 H54 2.7357 no . .
C61 H70 3.4887 no . .
C61 H74 3.3702 no . .
C61 H78 2.8047 no . .
C62 H54 2.7972 no . .
C62 H64 3.2191 no . .
C62 H66 3.2527 no . .
C62 H74 3.3039 no . .
C64 H62 3.2161 no . .
C64 H66 3.2518 no . .
C66 H62 3.2474 no . .
C66 H64 3.2590 no . .
C66 H70 3.5378 no . .
C66 H78 2.7791 no . .
C67 H62 2.5106 no . .
C67 H64 2.7333 no . .
C68 H64 2.6046 no . .
C68 H66 2.6729 no . .
C69 H58 2.8660 no . .
C69 H62 3.4400 no . .
C69 H66 3.4084 no . .
C69 H82 2.8403 no . .
C70 H66 3.4154 no . .
C70 H72 3.2849 no . .
C70 H74 3.2392 no . .
C70 H82 2.8614 no . .
C72 H70 3.2737 no . .
C72 H74 3.2367 no . .
C74 H58 2.8872 no . .
C74 H62 3.3710 no . .
C74 H70 3.2424 no . .
C74 H72 3.2472 no . .
C75 H70 2.6753 no . .
C75 H72 2.6599 no . .
C76 H72 2.6146 no . .
C76 H74 2.6264 no . .
C77 H54 3.2470 no . .
C77 H58 3.5301 no . .
C77 H66 2.8747 no . .
C77 H70 2.7511 no . .
C78 H54 3.2536 no . .
C78 H66 2.8361 no . .
C78 H80 3.2667 no . .
C78 H82 3.2406 no . .
C80 H78 3.2524 no . .
C80 H82 3.2495 no . .
C82 H58 3.5345 no . .
C82 H70 2.7510 no . .
C82 H78 3.2401 no . .
C82 H80 3.2621 no . .
C83 H78 2.6283 no . .
C83 H80 2.6218 no . .
C84 H80 2.6221 no . .
C84 H82 2.6337 no . .
C85 H98 2.9016 no . .
C85 H106 2.7255 no . .
C85 H110 3.3629 no . .
C85 H114 3.4729 no . .
C86 H88 3.2572 no . .
C86 H90 3.2532 no . .
C86 H98 2.8866 no . .
C86 H110 3.4027 no . .
C88 H86 3.2457 no . .
C88 H90 3.2588 no . .
C90 H86 3.2555 no . .
C90 H88 3.2669 no . .
C90 H106 2.6713 no . .
C90 H114 3.4419 no . .
C91 H86 2.6494 no . .
C91 H88 2.5980 no . .
C92 H88 2.7165 no . .
C92 H90 2.5869 no . .
C93 H86 2.8540 no . .
C93 H102 3.3414 no . .
C93 H106 3.5672 no . .
C93 H110 2.6882 no . .
C94 H96 3.2893 no . .
C94 H98 3.2418 no . .
C94 H102 3.3022 no . .
C94 H110 2.6591 no . .
C96 H94 3.2763 no . .
C96 H98 3.2747 no . .
C98 H86 2.8411 no . .
C98 H94 3.2412 no . .
C98 H96 3.2890 no . .
C99 H94 2.6051 no . .
C99 H96 2.6444 no . .
C100 H96 2.6309 no . .
C100 H98 2.6337 no . .
C101 H90 2.7586 no . .
C101 H94 3.4681 no . .
C101 H98 3.4188 no . .
C101 H114 2.8305 no . .
C102 H94 3.3977 no . .
C102 H104 3.2832 no . .
C102 H106 3.2290 no . .
C102 H114 2.8706 no . .
C104 H102 3.2690 no . .
C104 H106 3.2567 no . .
C106 H90 2.7254 no . .
C106 H98 3.4778 no . .
C106 H102 3.2360 no . .
C106 H104 3.2696 no . .
C107 H102 2.6296 no . .
C107 H104 2.6572 no . .
C108 H104 2.6440 no . .
C108 H106 2.6411 no . .
C109 H86 3.5231 no . .
C109 H90 3.3429 no . .
C109 H94 2.6875 no . .
C109 H102 2.8302 no . .
C110 H86 3.5001 no . .
C110 H94 2.6183 no . .
C110 H112 3.2568 no . .
C110 H114 3.2278 no . .
C111 H94 3.5861 no . .
C112 H110 3.2393 no . .
C112 H114 3.2708 no . .
C114 H90 3.3784 no . .
C114 H102 2.8625 no . .
C114 H110 3.2271 no . .
C114 H112 3.2810 no . .
C115 H110 2.5666 no . .
C115 H112 2.6847 no . .
C116 H112 2.6484 no . .
C116 H114 2.6270 no . .
C118 H122 2.6044 no . 2_766
C118 H126 3.2711 no . .
C119 H117 3.2712 no . .
C119 H122 2.6136 no . 2_766
C120 H118 3.2668 no . .
C120 H122 3.2787 no . .
C120 H124 3.2637 no . .
C120 H126 3.3036 no . .
C121 H118 2.6798 no . 2_766
C121 H123 3.2707 no . .
C122 H118 2.6246 no . 2_766
C122 H124 3.2317 no . .
C124 H122 3.2232 no . .
C124 H126 2.6352 no . .
C125 H117 3.3102 no . .
C125 H123 3.1762 no . .
C126 H118 3.2598 no . .
C126 H124 2.5826 no . .
B1 H54 2.7298 no . .
B1 H58 2.8145 no . .
B1 H62 2.7777 no . .
B1 H66 2.8042 no . .
B1 H70 2.7753 no . .
B1 H74 2.8074 no . .
B1 H78 2.8178 no . .
B1 H82 2.7771 no . .
B2 H86 2.8343 no . .
B2 H90 2.7346 no . .
B2 H94 2.7920 no . .
B2 H98 2.8074 no . .
B2 H102 2.7921 no . .
B2 H106 2.7834 no . .
B2 H110 2.7349 no . .
B2 H114 2.8195 no . .
H1 H2 2.3242 no . .
H1 H6 2.3589 no . .
H2 H3 2.3049 no . .
H3 H7 3.5813 no . .
H3 H8 2.3457 no . .
H5 H6 2.3064 no . .
H5 H7 2.4366 no . .
H7 H8 2.8072 no . .
H7 H9 2.4412 no . .
H7 H49 3.2199 no . .
H8 H9 2.8706 no . .
H8 H10 2.4865 no . .
H8 H49 3.0588 no . .
H8 H50 2.4019 no . .
H9 H10 2.8202 no . .
H9 H17 1.9692 no . .
H10 H12 2.7358 no . .
H10 H50 2.3975 no . .
H10 H51 3.4735 no . .
H12 H13 2.3019 no . .
H12A H13A 2.3462 no . .
H12A H13B 2.8283 no . .
H12B H13A 2.8287 no . .
H12B H13B 2.3116 no . .
H12C H12E 2.2844 no . .
H12C H12F 2.8082 no . .
H12D H12E 2.8076 no . .
H12D H12F 2.3300 no . .
H13 H14 2.3157 no . .
H14 H15 2.3564 no . .
H15 H17 3.3457 no . .
H15 H18 3.0723 no . .
H17 H18 2.8038 no . .
H17 H19 2.6312 no . .
H18 H19 2.8478 no . .
H18 H20 2.3946 no . .
H19 H20 2.8156 no . .
H19 H22 2.4079 no . .
H20 H26 2.3195 no . .
H22 H23 2.3473 no . .
H23 H24 2.3477 no . .
H23 H33 3.1359 no . .
H23 H34 3.3444 no . .
H23 H35 3.4499 no . .
H24 H25 2.3513 no . .
H24 H34 2.1739 no . .
H24 H35 3.5587 no . .
H24 H36 2.6139 no . .
H25 H26 2.2980 no . .
H25 H36 3.5334 no . .
H27 H28 2.3371 no . .
H27 H32 2.3158 no . .
H28 H29 2.3161 no . .
H29 H33 3.5636 no . .
H29 H34 2.2858 no . .
H31 H32 2.3435 no . .
H31 H33 2.4502 no . .
H33 H34 2.7516 no . .
H33 H35 2.4290 no . .
H34 H35 2.8789 no . .
H34 H36 2.5921 no . .
H35 H36 2.8332 no . .
H35 H43 2.4485 no . .
H36 H38 2.8016 no . .
H38 H39 2.2940 no . .
H39 H40 2.3147 no . .
H40 H41 2.3445 no . .
H41 H43 3.1141 no . .
H41 H44 3.5573 no . .
H43 H44 2.8201 no . .
H43 H45 2.6191 no . .
H44 H45 2.8730 no . .
H44 H46 2.4429 no . .
H45 H46 2.8056 no . .
H45 H48 2.1726 no . .
H46 H52 2.4221 no . .
H48 H49 2.3058 no . .
H49 H50 2.3570 no . .
H50 H51 2.4066 no . .
H51 H52 2.3295 no . .
H54 H62 2.6281 no . .
H54 H78 2.8516 no . .
H58 H74 2.5989 no . .
H58 H82 3.0509 no . .
H62 H74 2.8889 no . .
H66 H70 3.0669 no . .
H66 H78 2.5363 no . .
H70 H82 2.5744 no . .
H86 H98 2.6213 no . .
H86 H110 2.9938 no . .
H90 H106 2.4723 no . .
H90 H114 2.9383 no . .
H94 H102 2.8766 no . .
H94 H110 2.4598 no . .
H98 H106 3.1079 no . .
H102 H114 2.6672 no . .
H117 H118 2.3362 no . .
H117 H126 2.2950 no . .
H118 H122 2.0305 no . 2_766
H122 H123 2.3582 no . .
H123 H124 2.2797 no . .
H124 H126 2.4316 no . .
Cl1 H12A 3.2851 no . 2_556
Cl1 H12D 3.5172 no . 2_556
Cl1 H12F 3.4033 no . 2_556
Cl1 H96 3.1195 no . .
Cl1 H123 3.2540 no . 1_445
Cl2 H44 3.0365 no . 2_666
Cl2 H86 3.4704 no . 2_556
Cl2 H110 3.1723 no . 2_556
F1 H3 3.5793 no . 2_667
F1 H5 2.9907 no . .
F1 H7 2.6737 no . .
F1 H8 3.4608 no . 2_667
F2 H3 3.5239 no . 2_667
F2 H7 2.8370 no . .
F2 H9 2.7362 no . .
F2 H17 2.4184 no . .
F2 H19 3.0065 no . .
F3 H5 3.2157 no . .
F3 H7 2.9300 no . .
F3 H48 2.7912 no . .
F3 H49 2.8280 no . .
F4 H94 2.5719 no . 1_565
F4 H102 2.7853 no . 1_565
F5 H31 2.7949 no . .
F5 H33 2.7289 no . .
F5 H112 3.5908 no . 1_565
F5 H126 3.5051 no . 1_455
F6 H23 2.7439 no . .
F6 H33 2.7539 no . .
F6 H35 2.6907 no . .
F6 H43 2.7482 no . .
F7 H3 2.9866 no . 2_667
F7 H8 2.3658 no . 2_667
F7 H10 3.0330 no . 2_667
F7 H50 3.2513 no . 2_667
F8 H13 3.0496 no . 1_455
F8 H14 2.8780 no . 1_455
F9 H14 3.0967 no . 1_455
F10 H2 3.1204 no . 2_667
F10 H64 3.0633 no . 2_657
F11 H1 3.4969 no . 1_545
F11 H104 2.9059 no . .
F12 H88 2.4696 no . 1_655
F12 H104 3.3687 no . .
F13 H27 2.7576 no . .
F13 H32 3.1505 no . .
F13 H39 2.9628 no . 2_666
F13 H41 2.9488 no . 1_545
F14 H102 3.4524 no . .
F15 H41 2.7179 no . 1_545
F16 H80 3.4794 no . 1_455
F16 H98 3.5292 no . .
F17 H20 3.5862 no . 1_455
F17 H26 3.0268 no . 1_455
F17 H117 2.8910 no . 1_455
F17 H118 3.4414 no . 1_455
F18 H18 3.4638 no . 1_455
F18 H20 2.9651 no . 1_455
F18 H112 2.8201 no . 1_565
F19 H1 3.0433 no . 2_667
F19 H2 3.3003 no . 2_667
F19 H15 2.9581 no . .
F20 H98 3.3676 no . 1_655
F20 H106 2.6095 no . 1_655
F21 H15 3.1879 no . .
F21 H18 3.2530 no . .
F21 H19 3.2768 no . .
F21 H20 3.3086 no . .
F22 H24 3.4051 no . .
F22 H25 3.5313 no . .
F22 H122 3.1116 no . 2_766
F22 H123 3.2156 no . 2_766
F23 H23 3.2227 no . .
F23 H24 3.2192 no . .
F23 H29 3.5107 no . .
F23 H123 3.4272 no . 2_766
F24 H12C 2.8266 no . 2_656
F24 H12D 3.5047 no . 2_656
F24 H13B 3.0954 no . 2_656
F24 H123 3.5438 no . 2_766
F25 H12C 2.7808 no . 2_556
F25 H13B 2.4153 no . 2_556
F25 H44 3.3057 no . 1_445
F25 H46 3.3704 no . 1_445
F26 H45 3.0577 no . 1_445
F26 H48 3.4268 no . 1_445
F26 H70 3.5707 no . 1_455
F27 H66 3.5136 no . 1_455
F27 H70 2.6961 no . 1_455
F27 H82 3.5710 no . 1_455
F28 H13 2.4811 no . 2_657
F28 H14 3.5491 no . 2_657
F28 H50 3.2463 no . 1_445
F28 H51 3.2806 no . 1_445
F29 H49 3.5997 no . 1_445
F29 H50 2.8716 no . 1_445
F29 H64 3.5878 no . 2_557
F30 H1 2.8836 no . 2_567
F31 H28 2.7497 no . 2_656
F31 H39 3.0037 no . 2_666
F31 H40 2.8727 no . 2_666
F32 H28 2.8165 no . 2_656
F32 H124 2.8812 no . 1_445
F33 H35 2.8719 no . 1_545
F33 H43 2.8095 no . 1_545
F34 H38 2.9773 no . 2_666
F34 H39 3.1111 no . 2_666
F34 H72 3.0165 no . .
F34 H117 3.4722 no . 1_455
F34 H118 2.5111 no . 1_455
F34 H122 3.2193 no . 2_666
F35 H12A 2.8689 no . .
F35 H12D 2.7201 no . 2_556
F35 H12F 3.0314 no . .
F35 H13A 2.8459 no . 2_556
F35 H118 3.4068 no . 1_455
F35 H122 2.6898 no . 2_666
F35 H123 3.5543 no . 2_666
F36 H72 3.3763 no . .
F36 H80 2.6438 no . 1_455
F36 H118 3.3731 no . 1_455
F36 H122 3.5051 no . 2_666
F37 H48 3.1591 no . 1_545
F38 H45 2.7730 no . 1_545
F38 H48 2.6806 no . 1_545
F38 H56 2.6930 no . 1_545
F39 H5 3.2120 no . 1_545
F39 H48 2.8847 no . 1_545
F39 H49 2.9456 no . 1_545
F39 H56 3.5797 no . 1_545
F40 H74 3.4544 no . .
F41 H14 3.5101 no . 1_455
F41 H15 2.9327 no . 1_455
F42 H14 3.1999 no . 1_455
F42 H64 3.4245 no . .
F43 H124 3.1545 no . 1_445
F43 H126 2.9901 no . 1_445
F44 H20 3.4310 no . 1_445
F44 H26 2.5841 no . 1_445
F44 H117 3.4571 no . 1_445
F44 H126 3.5061 no . 1_445
F45 H26 2.6731 no . 1_445
F45 H44 3.5772 no . 1_445
F45 H46 2.6447 no . 1_445
F45 H52 3.5375 no . 1_445
F46 H12 2.9472 no . 2_657
F47 H62 2.7727 no . 1_545
F47 H74 3.2224 no . 1_545
F48 H12 2.8338 no . 2_657
F48 H51 2.7635 no . 1_445
C1 H15 3.5425 no . 2_667
C2 H78 3.5008 no . 2_667
C3 H54 3.4758 no . 2_667
C4 H9 3.1483 no . 2_667
C5 H9 3.0665 no . 2_667
C7 H7 2.9408 no . 2_667
C7 H9 3.2663 no . 2_667
C8 H7 3.3460 no . 2_667
C9 H5 3.3974 no . 2_667
C9 H7 3.3399 no . 2_667
C13 H6 3.4087 no . 2_667
C14 H6 3.1365 no . 2_667
C15 H1 3.5683 no . 2_667
C15 H6 3.1324 no . 2_667
C16 H6 3.4045 no . 2_667
C27 H38 3.0666 no . 2_666
C29 H124 3.2637 no . 2_766
C30 H126 3.2330 no . 1_455
C31 H58 3.2417 no . .
C31 H82 3.3895 no . .
C31 H117 3.0510 no . 1_455
C31 H126 2.9780 no . 1_455
C32 H38 3.2958 no . 2_666
C32 H82 3.3358 no . .
C32 H117 2.9499 no . 1_455
C33 H29 3.2853 no . 2_666
C33 H126 3.3675 no . 1_455
C34 H29 3.3784 no . 2_666
C37 H12E 3.4456 no . 2_666
C38 H12B 3.4553 no . 2_666
C38 H12E 3.4506 no . 2_666
C38 H27 3.1640 no . 2_666
C39 H12B 3.1325 no . 2_666
C39 H12E 3.3613 no . 2_666
C39 H27 3.2175 no . 2_666
C39 H96 3.0362 no . 2_666
C40 H12B 2.9499 no . 2_666
C40 H12E 3.2318 no . 2_666
C41 H12B 3.1223 no . 2_666
C41 H12E 3.1948 no . 2_666
C42 H12B 3.4425 no . 2_666
C42 H12E 3.2798 no . 2_666
C53 H22 3.4961 no . .
C54 H19 3.5927 no . .
C54 H22 3.4150 no . .
C55 H22 3.3962 no . .
C56 H22 3.4002 no . .
C57 H22 3.3997 no . .
C57 H23 3.5320 no . .
C58 H22 3.4238 no . .
C58 H23 3.5041 no . .
C58 H31 3.4098 no . .
C59 H7 3.0821 no . .
C60 H23 3.5466 no . .
C60 H33 3.3192 no . .
C61 H2 3.5328 no . 2_667
C62 H3 3.2587 no . 2_667
C63 H3 3.0896 no . 2_667
C64 H2 3.3950 no . 2_667
C64 H3 3.4171 no . 2_667
C65 H2 3.0432 no . 2_667
C65 H104 3.1901 no . .
C66 H2 3.1236 no . 2_667
C66 H104 3.5131 no . .
C67 H3 3.4548 no . 2_667
C67 H8 3.3725 no . 2_667
C68 H2 3.5789 no . 2_667
C68 H104 3.2951 no . .
C69 H32 3.3937 no . .
C70 H32 3.0848 no . .
C71 H32 2.8711 no . .
C72 H32 2.9450 no . .
C73 H32 3.2204 no . .
C74 H32 3.4070 no . .
C75 H32 3.5087 no . .
C75 H41 3.3604 no . 1_545
C79 H19 3.5654 no . .
C85 H52 3.5062 no . 1_445
C86 H52 3.5901 no . 1_445
C90 H51 3.5727 no . 1_445
C96 H13A 3.4698 no . 2_556
C96 H39 3.0985 no . 2_666
C97 H12D 3.4788 no . 2_556
C97 H13A 3.2211 no . 2_556
C97 H72 3.2817 no . .
C98 H13A 3.5969 no . 2_556
C98 H72 3.4277 no . .
C99 H28 3.3459 no . 2_656
C100 H12D 3.5356 no . 2_556
C100 H13A 3.4804 no . 2_556
C100 H72 3.3947 no . .
C100 H118 3.3804 no . 1_455
C100 H122 3.4142 no . 2_666
C107 H48 3.1317 no . 1_545
C109 H52 3.0427 no . 1_445
C110 H52 2.8628 no . 1_445
C111 H52 2.8939 no . 1_445
C112 H52 3.0565 no . 1_445
C113 H51 3.3813 no . 1_445
C113 H52 3.1671 no . 1_445
C114 H51 3.3509 no . 1_445
C114 H52 3.1501 no . 1_445
C115 H26 3.2223 no . 1_445
C116 H12 3.4971 no . 2_657
C116 H51 3.5314 no . 1_445
C117 H31 3.5617 no . 1_655
C117 H36 3.1750 no . 2_766
C117 H38 3.0787 no . 2_766
C118 H25 3.2132 no . .
C118 H36 3.1689 no . 2_766
C118 H38 3.1894 no . 2_766
C119 H25 2.7700 no . .
C119 H36 3.2538 no . 2_766
C120 H25 3.3369 no . .
C120 H25 3.2189 no . 2_766
C120 H36 3.3659 no . 2_766
C121 H25 2.6859 no . 2_766
C122 H12F 3.5294 no . 2_666
C122 H25 3.1628 no . 2_766
C123 H12F 3.5098 no . 2_666
C124 H24 3.5188 no . 2_766
C124 H29 3.1406 no . 2_766
C124 H34 3.2306 no . 2_766
C125 H24 3.4900 no . 2_766
C125 H34 3.2219 no . 2_766
C125 H36 3.3806 no . 2_766
C126 H31 3.4560 no . 1_655
C126 H34 3.2618 no . 2_766
C126 H36 3.2604 no . 2_766
C129 H44 3.5938 no . 2_666
C130 H86 3.5133 no . 2_556
H1 F11 3.4969 no . 1_565
H1 F19 3.0433 no . 2_667
H1 F30 2.8836 no . 2_567
H1 C15 3.5683 no . 2_667
H1 H15 3.2606 no . 2_667
H2 F10 3.1204 no . 2_667
H2 F19 3.3003 no . 2_667
H2 C61 3.5328 no . 2_667
H2 C64 3.3950 no . 2_667
H2 C65 3.0432 no . 2_667
H2 C66 3.1236 no . 2_667
H2 C68 3.5789 no . 2_667
H2 H54 3.5394 no . 2_667
H2 H66 3.4363 no . 2_667
H2 H78 2.8207 no . 2_667
H3 F1 3.5793 no . 2_667
H3 F2 3.5239 no . 2_667
H3 F7 2.9866 no . 2_667
H3 C62 3.2587 no . 2_667
H3 C63 3.0896 no . 2_667
H3 C64 3.4171 no . 2_667
H3 C67 3.4548 no . 2_667
H3 H54 2.9913 no . 2_667
H3 H62 3.5147 no . 2_667
H5 F1 2.9907 no . .
H5 F3 3.2157 no . .
H5 F39 3.2120 no . 1_565
H5 C9 3.3974 no . 2_667
H5 H9 2.9980 no . 2_667
H6 C13 3.4087 no . 2_667
H6 C14 3.1365 no . 2_667
H6 C15 3.1324 no . 2_667
H6 C16 3.4045 no . 2_667
H6 H14 3.4891 no . 2_667
H6 H15 3.4850 no . 2_667
H7 F1 2.6737 no . .
H7 F2 2.8370 no . .
H7 F3 2.9300 no . .
H7 C7 2.9408 no . 2_667
H7 C8 3.3460 no . 2_667
H7 C9 3.3399 no . 2_667
H7 C59 3.0821 no . .
H7 H7 2.5380 no . 2_667
H7 H9 2.9381 no . 2_667
H8 F1 3.4608 no . 2_667
H8 F7 2.3658 no . 2_667
H8 C67 3.3725 no . 2_667
H9 F2 2.7362 no . .
H9 C4 3.1483 no . 2_667
H9 C5 3.0665 no . 2_667
H9 C7 3.2663 no . 2_667
H9 H5 2.9980 no . 2_667
H9 H7 2.9381 no . 2_667
H10 F7 3.0330 no . 2_667
H12 F46 2.9472 no . 2_657
H12 F48 2.8338 no . 2_657
H12 C116 3.4971 no . 2_657
H12A Cl1 3.2851 no . 2_556
H12A F35 2.8689 no . .
H12A H122 3.4748 no . 2_666
H12A H123 3.4900 no . 2_666
H12B C38 3.4553 no . 2_666
H12B C39 3.1325 no . 2_666
H12B C40 2.9499 no . 2_666
H12B C41 3.1223 no . 2_666
H12B C42 3.4425 no . 2_666
H12B H39 3.5439 no . 2_666
H12B H40 3.2836 no . 2_666
H12B H41 3.5349 no . 2_666
H12B H44 3.5952 no . 2_666
H12B H96 3.5562 no . .
H12C F24 2.8266 no . 2_656
H12C F25 2.7808 no . 2_556
H12D Cl1 3.5172 no . 2_556
H12D F24 3.5047 no . 2_656
H12D F35 2.7201 no . 2_556
H12D C97 3.4788 no . 2_556
H12D C100 3.5356 no . 2_556
H12E C37 3.4456 no . 2_666
H12E C38 3.4506 no . 2_666
H12E C39 3.3613 no . 2_666
H12E C40 3.2318 no . 2_666
H12E C41 3.1948 no . 2_666
H12E C42 3.2798 no . 2_666
H12E H44 3.1073 no . 2_666
H12F Cl1 3.4033 no . 2_556
H12F F35 3.0314 no . .
H12F C122 3.5294 no . 2_666
H12F C123 3.5098 no . 2_666
H12F H122 3.1814 no . 2_666
H12F H123 3.1671 no . 2_666
H13 F8 3.0496 no . 1_655
H13 F28 2.4811 no . 2_657
H13 H51 3.5345 no . 2_767
H13A F35 2.8459 no . 2_556
H13A C96 3.4698 no . 2_556
H13A C97 3.2211 no . 2_556
H13A C98 3.5969 no . 2_556
H13A C100 3.4804 no . 2_556
H13A H86 3.5263 no . 2_556
H13B F24 3.0954 no . 2_656
H13B F25 2.4153 no . 2_556
H13B H86 3.0899 no . 2_556
H14 F8 2.8780 no . 1_655
H14 F9 3.0967 no . 1_655
H14 F28 3.5491 no . 2_657
H14 F41 3.5101 no . 1_655
H14 F42 3.1999 no . 1_655
H14 H6 3.4891 no . 2_667
H15 F19 2.9581 no . .
H15 F21 3.1879 no . .
H15 F41 2.9327 no . 1_655
H15 C1 3.5425 no . 2_667
H15 H1 3.2606 no . 2_667
H15 H6 3.4850 no . 2_667
H17 F2 2.4184 no . .
H18 F18 3.4638 no . 1_655
H18 F21 3.2530 no . .
H19 F2 3.0065 no . .
H19 F21 3.2768 no . .
H19 C54 3.5927 no . .
H19 C79 3.5654 no . .
H19 H54 3.4857 no . .
H20 F17 3.5862 no . 1_655
H20 F18 2.9651 no . 1_655
H20 F21 3.3086 no . .
H20 F44 3.4310 no . 1_665
H20 H112 3.4907 no . 1_665
H22 C53 3.4961 no . .
H22 C54 3.4150 no . .
H22 C55 3.3962 no . .
H22 C56 3.4002 no . .
H22 C57 3.3997 no . .
H22 C58 3.4238 no . .
H23 F6 2.7439 no . .
H23 F23 3.2227 no . .
H23 C57 3.5320 no . .
H23 C58 3.5041 no . .
H23 C60 3.5466 no . .
H23 H58 3.4233 no . .
H23 H82 3.4860 no . .
H24 F22 3.4051 no . .
H24 F23 3.2192 no . .
H24 C124 3.5188 no . 2_766
H24 C125 3.4900 no . 2_766
H25 F22 3.5313 no . .
H25 C118 3.2132 no . .
H25 C119 2.7700 no . .
H25 C120 3.3369 no . .
H25 C120 3.2189 no . 2_766
H25 C121 2.6859 no . 2_766
H25 C122 3.1628 no . 2_766
H25 H118 3.3792 no . .
H25 H122 3.4258 no . 2_766
H26 F17 3.0268 no . 1_655
H26 F44 2.5841 no . 1_665
H26 F45 2.6731 no . 1_665
H26 C115 3.2223 no . 1_665
H27 F13 2.7576 no . .
H27 C38 3.1640 no . 2_666
H27 C39 3.2175 no . 2_666
H27 H38 2.9749 no . 2_666
H27 H39 3.0623 no . 2_666
H27 H40 3.1129 no . 1_545
H28 F31 2.7497 no . 2_656
H28 F32 2.8165 no . 2_656
H28 C99 3.3459 no . 2_656
H28 H35 3.5953 no . 2_666
H28 H40 3.5706 no . 1_545
H28 H124 3.4920 no . 2_766
H29 F23 3.5107 no . .
H29 C33 3.2853 no . 2_666
H29 C34 3.3784 no . 2_666
H29 C124 3.1406 no . 2_766
H29 H33 3.2165 no . 2_666
H29 H124 2.4585 no . 2_766
H29 H126 3.4938 no . 2_766
H31 F5 2.7949 no . .
H31 C58 3.4098 no . .
H31 C117 3.5617 no . 1_455
H31 C126 3.4560 no . 1_455
H31 H58 2.5036 no . .
H31 H82 3.4865 no . .
H31 H117 2.9645 no . 1_455
H31 H126 2.7497 no . 1_455
H32 F13 3.1505 no . .
H32 C69 3.3937 no . .
H32 C70 3.0848 no . .
H32 C71 2.8711 no . .
H32 C72 2.9450 no . .
H32 C73 3.2204 no . .
H32 C74 3.4070 no . .
H32 C75 3.5087 no . .
H32 H38 3.3493 no . 2_666
H32 H70 3.5553 no . .
H32 H72 3.3600 no . .
H32 H82 3.4171 no . .
H32 H117 2.7821 no . 1_455
H33 F5 2.7289 no . .
H33 F6 2.7539 no . .
H33 C60 3.3192 no . .
H33 H29 3.2165 no . 2_666
H33 H126 2.9166 no . 1_455
H34 C124 3.2306 no . 2_766
H34 C125 3.2219 no . 2_766
H34 C126 3.2618 no . 2_766
H34 H124 3.1250 no . 2_766
H34 H126 3.1962 no . 2_766
H35 F6 2.6907 no . .
H35 F33 2.8719 no . 1_565
H35 H28 3.5953 no . 2_666
H36 C117 3.1750 no . 2_766
H36 C118 3.1689 no . 2_766
H36 C119 3.2538 no . 2_766
H36 C120 3.3659 no . 2_766
H36 C125 3.3806 no . 2_766
H36 C126 3.2604 no . 2_766
H38 F34 2.9773 no . 2_666
H38 C27 3.0666 no . 2_666
H38 C32 3.2958 no . 2_666
H38 C117 3.0787 no . 2_766
H38 C118 3.1894 no . 2_766
H38 H27 2.9749 no . 2_666
H38 H32 3.3493 no . 2_666
H38 H117 2.8108 no . 2_766
H38 H118 3.0060 no . 2_766
H39 F13 2.9628 no . 2_666
H39 F31 3.0037 no . 2_666
H39 F34 3.1111 no . 2_666
H39 C96 3.0985 no . 2_666
H39 H12B 3.5439 no . 2_666
H39 H27 3.0623 no . 2_666
H39 H96 2.3571 no . 2_666
H40 F31 2.8727 no . 2_666
H40 H12B 3.2836 no . 2_666
H40 H27 3.1129 no . 1_565
H40 H28 3.5706 no . 1_565
H40 H40 3.5346 no . 2_676
H40 H96 3.5056 no . 2_666
H41 F13 2.9488 no . 1_565
H41 F15 2.7179 no . 1_565
H41 C75 3.3604 no . 1_565
H41 H12B 3.5349 no . 2_666
H43 F6 2.7482 no . .
H43 F33 2.8095 no . 1_565
H44 Cl2 3.0365 no . 2_666
H44 F25 3.3057 no . 1_665
H44 F45 3.5772 no . 1_665
H44 C129 3.5938 no . 2_666
H44 H12B 3.5952 no . 2_666
H44 H12E 3.1073 no . 2_666
H45 F26 3.0577 no . 1_665
H45 F38 2.7730 no . 1_565
H46 F25 3.3704 no . 1_665
H46 F45 2.6447 no . 1_665
H46 H86 3.5898 no . 1_665
H46 H110 3.4597 no . 1_665
H48 F3 2.7912 no . .
H48 F26 3.4268 no . 1_665
H48 F37 3.1591 no . 1_565
H48 F38 2.6806 no . 1_565
H48 F39 2.8847 no . 1_565
H48 C107 3.1317 no . 1_565
H48 H56 3.5267 no . .
H49 F3 2.8280 no . .
H49 F29 3.5997 no . 1_665
H49 F39 2.9456 no . 1_565
H50 F7 3.2513 no . 2_667
H50 F28 3.2463 no . 1_665
H50 F29 2.8716 no . 1_665
H51 F28 3.2806 no . 1_665
H51 F48 2.7635 no . 1_665
H51 C90 3.5727 no . 1_665
H51 C113 3.3813 no . 1_665
H51 C114 3.3509 no . 1_665
H51 C116 3.5314 no . 1_665
H51 H13 3.5345 no . 2_767
H51 H90 3.5302 no . 1_665
H51 H114 3.3878 no . 1_665
H52 F45 3.5375 no . 1_665
H52 C85 3.5062 no . 1_665
H52 C86 3.5901 no . 1_665
H52 C109 3.0427 no . 1_665
H52 C110 2.8628 no . 1_665
H52 C111 2.8939 no . 1_665
H52 C112 3.0565 no . 1_665
H52 C113 3.1671 no . 1_665
H52 C114 3.1501 no . 1_665
H52 H110 3.3154 no . 1_665
H54 C3 3.4758 no . 2_667
H54 H2 3.5394 no . 2_667
H54 H3 2.9913 no . 2_667
H54 H19 3.4857 no . .
H56 F38 2.6930 no . 1_565
H56 F39 3.5797 no . 1_565
H56 H48 3.5267 no . .
H56 H102 3.2340 no . 1_565
H58 C31 3.2417 no . .
H58 H23 3.4233 no . .
H58 H31 2.5036 no . .
H62 F47 2.7727 no . 1_565
H62 H3 3.5147 no . 2_667
H64 F10 3.0633 no . 2_657
H64 F29 3.5878 no . 2_557
H64 F42 3.4245 no . .
H66 F27 3.5136 no . 1_655
H66 H2 3.4363 no . 2_667
H66 H88 2.9401 no . 1_655
H70 F26 3.5707 no . 1_655
H70 F27 2.6961 no . 1_655
H70 H32 3.5553 no . .
H72 F34 3.0165 no . .
H72 F36 3.3763 no . .
H72 C97 3.2817 no . .
H72 C98 3.4277 no . .
H72 C100 3.3947 no . .
H72 H32 3.3600 no . .
H72 H98 3.5138 no . .
H74 F40 3.4544 no . .
H74 F47 3.2224 no . 1_565
H74 H112 3.2667 no . 1_565
H78 C2 3.5008 no . 2_667
H78 H2 2.8207 no . 2_667
H80 F16 3.4794 no . 1_655
H80 F36 2.6438 no . 1_655
H80 H98 3.2898 no . 1_655
H82 F27 3.5710 no . 1_655
H82 C31 3.3895 no . .
H82 C32 3.3358 no . .
H82 H23 3.4860 no . .
H82 H31 3.4865 no . .
H82 H32 3.4171 no . .
H86 Cl2 3.4704 no . 2_556
H86 C130 3.5133 no . 2_556
H86 H13A 3.5263 no . 2_556
H86 H13B 3.0899 no . 2_556
H86 H46 3.5898 no . 1_445
H88 F12 2.4696 no . 1_455
H88 H66 2.9401 no . 1_455
H90 H51 3.5302 no . 1_445
H94 F4 2.5719 no . 1_545
H96 Cl1 3.1195 no . .
H96 C39 3.0362 no . 2_666
H96 H12B 3.5562 no . .
H96 H39 2.3571 no . 2_666
H96 H40 3.5056 no . 2_666
H98 F16 3.5292 no . .
H98 F20 3.3676 no . 1_455
H98 H72 3.5138 no . .
H98 H80 3.2898 no . 1_455
H102 F4 2.7853 no . 1_545
H102 F14 3.4524 no . .
H102 H56 3.2340 no . 1_545
H104 F11 2.9059 no . .
H104 F12 3.3687 no . .
H104 C65 3.1901 no . .
H104 C66 3.5131 no . .
H104 C68 3.2951 no . .
H106 F20 2.6095 no . 1_455
H110 Cl2 3.1723 no . 2_556
H110 H46 3.4597 no . 1_445
H110 H52 3.3154 no . 1_445
H112 F5 3.5908 no . 1_545
H112 F18 2.8201 no . 1_545
H112 H20 3.4907 no . 1_445
H112 H74 3.2667 no . 1_545
H114 H51 3.3878 no . 1_445
H117 F17 2.8910 no . 1_655
H117 F34 3.4722 no . 1_655
H117 F44 3.4571 no . 1_665
H117 C31 3.0510 no . 1_655
H117 C32 2.9499 no . 1_655
H117 H31 2.9645 no . 1_655
H117 H32 2.7821 no . 1_655
H117 H38 2.8108 no . 2_766
H118 F17 3.4414 no . 1_655
H118 F34 2.5111 no . 1_655
H118 F35 3.4068 no . 1_655
H118 F36 3.3731 no . 1_655
H118 C100 3.3804 no . 1_655
H118 H25 3.3792 no . .
H118 H38 3.0060 no . 2_766
H122 F22 3.1116 no . 2_766
H122 F34 3.2193 no . 2_666
H122 F35 2.6898 no . 2_666
H122 F36 3.5051 no . 2_666
H122 C100 3.4142 no . 2_666
H122 H12A 3.4748 no . 2_666
H122 H12F 3.1814 no . 2_666
H122 H25 3.4258 no . 2_766
H123 Cl1 3.2540 no . 1_665
H123 F22 3.2156 no . 2_766
H123 F23 3.4272 no . 2_766
H123 F24 3.5438 no . 2_766
H123 F35 3.5543 no . 2_666
H123 H12A 3.4900 no . 2_666
H123 H12F 3.1671 no . 2_666
H124 F32 2.8812 no . 1_665
H124 F43 3.1545 no . 1_665
H124 C29 3.2637 no . 2_766
H124 H28 3.4920 no . 2_766
H124 H29 2.4585 no . 2_766
H124 H34 3.1250 no . 2_766
H126 F5 3.5051 no . 1_655
H126 F43 2.9901 no . 1_665
H126 F44 3.5061 no . 1_665
H126 C30 3.2330 no . 1_655
H126 C31 2.9780 no . 1_655
H126 C33 3.3675 no . 1_655
H126 H29 3.4938 no . 2_766
H126 H31 2.7497 no . 1_655
H126 H33 2.9166 no . 1_655
H126 H34 3.1962 no . 2_766

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shirato2
_database_code_depnum_ccdc_archive 'CCDC 1451731'
_audit_update_record             
;
2016-02-03 deposited with the CCDC.
2016-04-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C153 H106 B2 Cl2 F48 Pd4'
_chemical_formula_moiety         'C153 H106 B2 Cl2 F48 Pd4'
_chemical_formula_weight         3374.57
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
_space_group_IT_number           4
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   18.5114(7)
_cell_length_b                   21.0181(7)
_cell_length_c                   19.5326(7)
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.4519(9)
_cell_angle_gamma                90.0000
_cell_volume                     7073.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40104
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      30.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3368.00
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.598
_exptl_absorpt_correction_T_max  0.937

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            85706
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_theta_max         30.484
_diffrn_reflns_theta_min         3.049
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             40859
_reflns_number_gt                34485
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0538
_refine_ls_wR_factor_ref         0.1572
_refine_ls_wR_factor_gt          0.1411
_refine_ls_number_restraints     359
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         40859
_refine_ls_number_parameters     1936
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0921P)²+4.2082P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.37
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 13596 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.432(6)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.37343(3) 0.42393(2) 0.65292(2) 0.02990(9) Uani 1 2 d . . .
Pd2 Pd 0.46210(3) 0.32826(2) 0.72278(2) 0.02855(9) Uani 1 2 d . . .
Pd3 Pd 0.56125(3) 0.24529(2) 0.80103(2) 0.03292(10) Uani 1 2 d . . .
Pd4 Pd 0.68778(3) 0.17769(2) 0.86892(2) 0.03297(10) Uani 1 2 d . . .
Cl1 Cl 0.8582(3) 0.7516(3) 0.5312(3) 0.158(2) Uani 1 2 d . . .
Cl2 Cl 1.0117(4) 0.7309(6) 0.6309(6) 0.272(6) Uani 1 2 d . . .
F1 F 0.8633(3) 0.3623(3) 0.8412(4) 0.0662(15) Uani 1 2 d . . .
F2 F 0.7772(4) 0.3074(2) 0.8637(3) 0.0670(16) Uani 1 2 d . . .
F3 F 0.7732(3) 0.3168(2) 0.7536(3) 0.0565(12) Uani 1 2 d . . .
F4 F 0.5298(4) 0.4834(7) 0.6376(4) 0.163(6) Uani 1 2 d . . .
F5 F 0.6274(4) 0.4976(5) 0.6086(3) 0.121(4) Uani 1 2 d . . .
F6 F 0.5856(7) 0.5671(4) 0.6560(3) 0.129(4) Uani 1 2 d . . .
F7 F 1.0177(4) 0.5642(5) 1.0225(5) 0.109(3) Uani 1 2 d . . .
F8 F 0.9993(4) 0.4678(6) 1.0061(7) 0.167(6) Uani 1 2 d . . .
F9 F 1.0634(3) 0.5062(4) 1.1142(4) 0.0858(19) Uani 1 2 d . . .
F10 F 0.9125(5) 0.5142(5) 1.2720(3) 0.128(4) Uani 1 2 d . . .
F11 F 0.8344(5) 0.5881(4) 1.2356(4) 0.097(2) Uani 1 2 d . . .
F12 F 0.7912(5) 0.4964(5) 1.2249(4) 0.118(3) Uani 1 2 d . . .
F13 F 0.6982(4) 0.7525(3) 1.0899(3) 0.0825(19) Uani 1 2 d . . .
F14 F 0.5831(4) 0.7390(3) 1.0167(4) 0.0772(18) Uani 1 2 d . . .
F15 F 0.6435(4) 0.8204(2) 1.0018(3) 0.0757(18) Uani 1 2 d . . .
F16 F 0.8329(4) 0.7821(4) 0.8670(4) 0.088(2) Uani 1 2 d . . .
F17 F 0.7990(5) 0.7016(3) 0.7917(4) 0.094(3) Uani 1 2 d . . .
F18 F 0.7258(4) 0.7794(3) 0.7809(3) 0.0705(15) Uani 1 2 d . . .
F19 F 0.6572(3) 0.3426(2) 1.0782(3) 0.0568(12) Uani 1 2 d . . .
F20 F 0.5349(3) 0.3268(3) 1.0377(3) 0.0678(15) Uani 1 2 d . . .
F21 F 0.5856(3) 0.3865(3) 1.1307(3) 0.0586(13) Uani 1 2 d . . .
F25 F 0.3785(4) 0.0614(5) 0.8851(4) 0.118(3) Uani 1 2 d . . .
F26 F 0.4655(4) 0.0456(4) 0.8425(3) 0.089(2) Uani 1 2 d . . .
F27 F 0.4512(6) 0.1346(4) 0.8806(4) 0.131(4) Uani 1 2 d . . .
F28 F 0.2238(3) 0.2658(3) 0.7444(3) 0.0637(13) Uani 1 2 d . . .
F29 F 0.2427(3) 0.2817(2) 0.6438(3) 0.0640(14) Uani 1 2 d . . .
F30 F 0.1442(3) 0.2294(2) 0.6432(3) 0.0566(12) Uani 1 2 d . . .
F31 F 0.5702(3) 0.0186(3) 0.5174(3) 0.0736(17) Uani 1 2 d . . .
F32 F 0.5949(3) 0.0424(3) 0.6287(3) 0.0684(16) Uani 1 2 d . . .
F33 F 0.6183(3) 0.1095(3) 0.5587(5) 0.092(2) Uani 1 2 d . . .
F34 F 0.3477(5) 0.1999(3) 0.3519(4) 0.100(2) Uani 1 2 d . . .
F35 F 0.2942(4) 0.2434(3) 0.4181(6) 0.115(3) Uani 1 2 d . . .
F36 F 0.4116(4) 0.2655(3) 0.4322(5) 0.094(2) Uani 1 2 d . . .
F37 F 0.0035(3) 0.0382(3) 0.5470(3) 0.0696(16) Uani 1 2 d . . .
F38 F -0.0235(6) 0.1247(4) 0.4848(8) 0.147(5) Uani 1 2 d . . .
F39 F -0.0700(3) 0.0359(5) 0.4350(3) 0.105(3) Uani 1 2 d . . .
F40 F 0.0440(4) 0.0320(5) 0.2424(3) 0.099(3) Uani 1 2 d . . .
F41 F 0.1528(5) -0.0095(7) 0.2766(4) 0.145(5) Uani 1 2 d . . .
F42 F 0.1433(8) 0.0877(6) 0.2706(4) 0.166(6) Uani 1 2 d . . .
F46 F 0.4084(4) -0.2325(3) 0.5275(4) 0.0844(19) Uani 1 2 d . . .
F47 F 0.4682(5) -0.1459(3) 0.5239(5) 0.098(2) Uani 1 2 d . . .
F48 F 0.3627(5) -0.1657(4) 0.4383(4) 0.098(2) Uani 1 2 d . . .
C1 C 0.3879(4) 0.3475(3) 0.8185(3) 0.0333(12) Uani 1 2 d . . .
C2 C 0.3392(4) 0.3967(4) 0.7830(3) 0.0381(13) Uani 1 2 d . . .
C3 C 0.3688(4) 0.4532(3) 0.7628(3) 0.0342(12) Uani 1 2 d . . .
C4 C 0.4492(4) 0.4563(3) 0.7765(3) 0.0319(11) Uani 1 2 d . . .
C5 C 0.4995(4) 0.4045(3) 0.8108(3) 0.0288(11) Uani 1 2 d . . .
C6 C 0.4694(4) 0.3500(3) 0.8354(3) 0.0314(12) Uani 1 2 d . . .
C7 C 0.5162(4) 0.2977(3) 0.8751(3) 0.0308(11) Uani 1 2 d . . .
C8 C 0.5979(4) 0.2934(3) 0.9041(3) 0.0327(12) Uani 1 2 d . . .
C9 C 0.6352(4) 0.2365(3) 0.9440(3) 0.0339(12) Uani 1 2 d . . .
C10 C 0.7142(4) 0.2265(3) 0.9739(3) 0.0369(13) Uani 1 2 d . . .
C11 C 0.7477(4) 0.1764(3) 1.0316(3) 0.0355(12) Uani 1 2 d . . .
C12 C 0.7483(4) 0.1850(3) 1.1027(4) 0.0391(14) Uani 1 2 d . . .
C13 C 0.7784(4) 0.1380(3) 1.1562(4) 0.0387(13) Uani 1 2 d . . .
C14 C 0.7832(4) 0.1476(4) 1.2296(4) 0.0452(15) Uani 1 2 d . . .
C15 C 0.8109(5) 0.0998(4) 1.2820(4) 0.0494(17) Uani 1 2 d . . .
C16 C 0.8352(4) 0.0422(4) 1.2619(4) 0.0502(18) Uani 1 2 d . . .
C17 C 0.8314(5) 0.0314(4) 1.1913(4) 0.0517(18) Uani 1 2 d . . .
C18 C 0.8041(4) 0.0792(4) 1.1381(4) 0.0421(15) Uani 1 2 d . . .
C19 C 0.8021(4) 0.0706(3) 1.0648(4) 0.0401(14) Uani 1 2 d . . .
C20 C 0.7774(4) 0.1192(3) 1.0138(4) 0.0364(13) Uani 1 2 d . . .
C21 C 0.7827(4) 0.1124(3) 0.9408(4) 0.0395(14) Uani 1 2 d . . .
C22 C 0.8196(4) 0.1559(3) 0.9114(4) 0.0395(14) Uani 1 2 d . . .
C23 C 0.8449(4) 0.1441(4) 0.8520(4) 0.0420(15) Uani 1 2 d . . .
C24 C 0.8842(4) 0.1845(4) 0.8268(5) 0.0484(17) Uani 1 2 d . . .
C25 C 0.9124(5) 0.1744(4) 0.7663(6) 0.057(2) Uani 1 2 d . . .
C26 C 0.9496(8) 0.2246(5) 0.7448(8) 0.086(4) Uani 1 2 d . . .
C27 C 0.9833(12) 0.2164(6) 0.6934(10) 0.128(6) Uani 1 2 d . . .
C28 C 0.9700(14) 0.1600(6) 0.6549(11) 0.146(7) Uani 1 2 d . . .
C29 C 0.9310(10) 0.1101(6) 0.6742(9) 0.106(5) Uani 1 2 d . . .
C30 C 0.9032(7) 0.1182(5) 0.7291(7) 0.075(3) Uani 1 2 d . . .
C31 C 0.6067(4) 0.2254(3) 0.6957(4) 0.0365(13) Uani 1 2 d . . .
C32 C 0.6697(4) 0.1842(3) 0.7297(4) 0.0393(13) Uani 1 2 d . . .
C33 C 0.6596(4) 0.1279(3) 0.7621(4) 0.0362(13) Uani 1 2 d . . .
C34 C 0.5857(4) 0.1120(3) 0.7614(4) 0.0384(14) Uani 1 2 d . . .
C35 C 0.5220(4) 0.1506(3) 0.7253(3) 0.0334(12) Uani 1 2 d . . .
C36 C 0.5310(3) 0.2072(3) 0.6900(3) 0.0272(10) Uani 1 2 d . . .
C37 C 0.4607(3) 0.2458(3) 0.6523(3) 0.0298(10) Uani 1 2 d . . .
C38 C 0.4566(3) 0.3039(3) 0.6159(3) 0.0286(11) Uani 1 2 d . . .
C39 C 0.3830(4) 0.3352(3) 0.5802(3) 0.0317(11) Uani 1 2 d . . .
C40 C 0.3727(4) 0.3945(3) 0.5453(3) 0.0308(11) Uani 1 2 d . . .
C41 C 0.2950(4) 0.4112(3) 0.4908(3) 0.0322(12) Uani 1 2 d . . .
C42 C 0.2714(4) 0.3878(3) 0.4198(3) 0.0337(12) Uani 1 2 d . . .
C43 C 0.1948(4) 0.3939(3) 0.3705(3) 0.0368(13) Uani 1 2 d . . .
C44 C 0.1689(5) 0.3674(4) 0.2984(4) 0.0437(15) Uani 1 2 d . . .
C45 C 0.0928(5) 0.3711(4) 0.2527(4) 0.0503(18) Uani 1 2 d . . .
C46 C 0.0382(5) 0.4009(4) 0.2768(4) 0.055(2) Uani 1 2 d . . .
C47 C 0.0611(5) 0.4280(4) 0.3457(4) 0.0481(16) Uani 1 2 d . . .
C48 C 0.1393(4) 0.4243(4) 0.3942(4) 0.0404(13) Uani 1 2 d . . .
C49 C 0.1660(4) 0.4517(4) 0.4661(4) 0.0418(15) Uani 1 2 d . . .
C50 C 0.2411(4) 0.4464(3) 0.5125(3) 0.0347(12) Uani 1 2 d . . .
C51 C 0.2704(4) 0.4828(3) 0.5832(4) 0.0387(14) Uani 1 2 d . . .
C52 C 0.3341(4) 0.5222(3) 0.5988(3) 0.0365(13) Uani 1 2 d . . .
C53 C 0.3559(4) 0.5720(3) 0.6539(4) 0.0377(13) Uani 1 2 d . . .
C54 C 0.4134(5) 0.6129(3) 0.6586(4) 0.0413(14) Uani 1 2 d . . .
C55 C 0.4432(5) 0.6657(3) 0.7116(4) 0.0424(15) Uani 1 2 d . . .
C56 C 0.5026(6) 0.7030(4) 0.7078(5) 0.057(2) Uani 1 2 d . . .
C57 C 0.5337(6) 0.7522(5) 0.7563(6) 0.064(2) Uani 1 2 d . . .
C58 C 0.5051(6) 0.7635(4) 0.8113(5) 0.056(2) Uani 1 2 d . . .
C59 C 0.4461(7) 0.7269(5) 0.8150(6) 0.069(3) Uani 1 2 d . . .
C60 C 0.4140(6) 0.6791(5) 0.7672(5) 0.057(2) Uani 1 2 d . . .
C61 C 0.7023(3) 0.4976(3) 0.8664(3) 0.0263(10) Uani 1 2 d . . .
C62 C 0.7432(3) 0.4411(3) 0.8705(3) 0.0276(10) Uani 1 2 d . . .
C63 C 0.7389(3) 0.4074(3) 0.8080(3) 0.0277(10) Uani 1 2 d . . .
C64 C 0.6925(4) 0.4268(3) 0.7383(3) 0.0304(10) Uani 1 2 d . . .
C65 C 0.6496(4) 0.4832(3) 0.7332(3) 0.0293(11) Uani 1 2 d . . .
C66 C 0.6545(3) 0.5168(3) 0.7955(3) 0.0285(10) Uani 1 2 d . . .
C67 C 0.7880(4) 0.3493(3) 0.8158(4) 0.0383(14) Uani 1 2 d . . .
C68 C 0.5981(4) 0.5057(3) 0.6584(3) 0.0363(13) Uani 1 2 d . . .
C69 C 0.7853(4) 0.5269(3) 1.0111(3) 0.0294(11) Uani 1 2 d . . .
C70 C 0.8576(4) 0.5230(3) 1.0042(4) 0.0355(12) Uani 1 2 d . . .
C71 C 0.9260(4) 0.5190(4) 1.0652(5) 0.0453(16) Uani 1 2 d . . .
C72 C 0.9269(5) 0.5213(4) 1.1362(4) 0.0474(17) Uani 1 2 d . . .
C73 C 0.8555(4) 0.5269(4) 1.1446(4) 0.0416(15) Uani 1 2 d . . .
C74 C 0.7867(4) 0.5293(3) 1.0833(3) 0.0351(12) Uani 1 2 d . . .
C75 C 1.0007(4) 0.5131(5) 1.0529(5) 0.060(2) Uani 1 2 d . . .
C76 C 0.8517(5) 0.5289(5) 1.2211(4) 0.058(2) Uani 1 2 d . . .
C77 C 0.7015(4) 0.6139(3) 0.9283(3) 0.0303(11) Uani 1 2 d . . .
C78 C 0.6755(4) 0.6546(3) 0.9712(3) 0.0334(12) Uani 1 2 d . . .
C79 C 0.6810(4) 0.7199(3) 0.9691(4) 0.0377(13) Uani 1 2 d . . .
C80 C 0.7140(4) 0.7490(3) 0.9234(4) 0.0401(14) Uani 1 2 d . . .
C81 C 0.7413(4) 0.7100(3) 0.8811(4) 0.0360(13) Uani 1 2 d . . .
C82 C 0.7348(4) 0.6448(3) 0.8829(3) 0.0334(12) Uani 1 2 d . . .
C83 C 0.6515(6) 0.7585(3) 1.0182(4) 0.0503(19) Uani 1 2 d . . .
C84 C 0.7767(5) 0.7414(3) 0.8315(4) 0.0467(16) Uani 1 2 d . . .
C85 C 0.6305(3) 0.5093(3) 0.9588(3) 0.0283(10) Uani 1 2 d . . .
C86 C 0.6373(4) 0.4526(3) 0.9978(3) 0.0306(11) Uani 1 2 d . . .
C87 C 0.5772(4) 0.4283(3) 1.0165(3) 0.0345(12) Uani 1 2 d . . .
C88 C 0.5054(4) 0.4586(4) 0.9948(4) 0.0377(14) Uani 1 2 d . . .
C89 C 0.4970(4) 0.5136(4) 0.9553(3) 0.0382(14) Uani 1 2 d . . .
C90 C 0.5570(4) 0.5390(3) 0.9368(3) 0.0331(12) Uani 1 2 d . . .
C91 C 0.5896(4) 0.3715(3) 1.0662(4) 0.0402(14) Uani 1 2 d . . .
C92 C 0.4217(4) 0.5486(5) 0.9359(4) 0.055(2) Uani 1 2 d . . .
C93 C 0.2956(3) 0.0808(3) 0.6375(3) 0.0296(11) Uani 1 2 d . . .
C94 C 0.3453(3) 0.0652(3) 0.7078(3) 0.0310(11) Uani 1 2 d . . .
C95 C 0.3561(4) 0.1042(3) 0.7686(3) 0.0339(12) Uani 1 2 d . . .
C96 C 0.3156(4) 0.1607(3) 0.7615(3) 0.0347(12) Uani 1 2 d . . .
C97 C 0.2649(4) 0.1774(3) 0.6921(4) 0.0346(12) Uani 1 2 d . . .
C98 C 0.2559(4) 0.1389(3) 0.6315(3) 0.0324(12) Uani 1 2 d . . .
C99 C 0.4120(4) 0.0851(4) 0.8437(3) 0.0399(14) Uani 1 2 d . . .
C100 C 0.2185(4) 0.2375(3) 0.6805(4) 0.0423(15) Uani 1 2 d . . .
C101 C 0.3552(4) 0.0767(3) 0.5377(3) 0.0324(12) Uani 1 2 d . . .
C102 C 0.4336(4) 0.0590(3) 0.5621(3) 0.0330(12) Uani 1 2 d . . .
C103 C 0.4868(4) 0.0921(3) 0.5407(3) 0.0341(12) Uani 1 2 d . . .
C104 C 0.4648(4) 0.1454(3) 0.4957(4) 0.0409(15) Uani 1 2 d . . .
C105 C 0.3878(5) 0.1640(3) 0.4716(4) 0.0405(14) Uani 1 2 d . . .
C106 C 0.3350(4) 0.1312(3) 0.4924(3) 0.0345(12) Uani 1 2 d . . .
C107 C 0.5675(4) 0.0662(4) 0.5621(4) 0.0421(15) Uani 1 2 d . . .
C108 C 0.3601(6) 0.2175(4) 0.4183(6) 0.059(2) Uani 1 2 d . . .
C109 C 0.2043(4) 0.0448(3) 0.4990(3) 0.0317(11) Uani 1 2 d . . .
C110 C 0.1363(4) 0.0485(4) 0.5149(3) 0.0388(14) Uani 1 2 d . . .
C111 C 0.0627(4) 0.0510(4) 0.4603(4) 0.0471(17) Uani 1 2 d . . .
C112 C 0.0539(5) 0.0466(5) 0.3863(4) 0.055(2) Uani 1 2 d . . .
C113 C 0.1198(5) 0.0406(4) 0.3686(4) 0.0511(19) Uani 1 2 d . . .
C114 C 0.1935(4) 0.0393(4) 0.4244(3) 0.0398(14) Uani 1 2 d . . .
C115 C -0.0074(5) 0.0594(6) 0.4817(6) 0.067(3) Uani 1 2 d . . .
C116 C 0.1132(6) 0.0382(7) 0.2903(5) 0.073(3) Uani 1 2 d . . .
C117 C 0.3071(4) -0.0347(3) 0.5798(3) 0.0334(12) Uani 1 2 d . . .
C118 C 0.2776(4) -0.0688(3) 0.6252(3) 0.0355(12) Uani 1 2 d . . .
C119 C 0.2849(5) -0.1348(4) 0.6330(4) 0.0430(15) Uani 1 2 d . . .
C120 C 0.3246(5) -0.1691(4) 0.5971(4) 0.0479(16) Uani 1 2 d . . .
C121 C 0.3541(5) -0.1369(4) 0.5520(4) 0.0448(15) Uani 1 2 d . . .
C122 C 0.3448(4) -0.0715(3) 0.5424(3) 0.0365(12) Uani 1 2 d . . .
C123 C 0.2486(6) -0.1680(4) 0.6814(5) 0.056(2) Uani 1 2 d . . .
C124 C 0.3987(7) -0.1713(4) 0.5111(5) 0.065(2) Uani 1 2 d . . .
C125 C 0.6143(6) -0.0641(4) 0.8608(5) 0.061(2) Uani 1 2 d . . .
C126 C 0.6869(6) -0.0607(4) 0.9164(6) 0.065(2) Uani 1 2 d . . .
C127 C 0.7517(6) -0.0578(4) 0.8957(6) 0.064(2) Uani 1 2 d . . .
C128 C 0.7443(6) -0.0590(5) 0.8249(6) 0.064(2) Uani 1 2 d . . .
C129 C 0.6709(6) -0.0628(5) 0.7699(6) 0.063(2) Uani 1 2 d . . .
C130 C 0.6052(5) -0.0663(3) 0.7879(5) 0.0507(18) Uani 1 2 d . . .
C131 C 0.5242(6) -0.0699(5) 0.7302(6) 0.067(2) Uani 1 2 d . . .
C132 C 0.8786(17) 0.7960(9) 1.1439(16) 0.183(13) Uani 1 2 d . . .
C133 C 0.898(2) 0.8611(11) 1.143(2) 0.26(2) Uani 1 2 d . . .
C134 C 0.9269(12) 0.8864(9) 1.0952(15) 0.140(8) Uani 1 2 d . . .
C135 C 0.9338(12) 0.8415(12) 1.0459(14) 0.142(8) Uani 1 2 d . . .
C136 C 0.9223(12) 0.7799(12) 1.0446(9) 0.133(7) Uani 1 2 d . . .
C137 C 0.8899(10) 0.7563(8) 1.1026(12) 0.121(6) Uani 1 2 d . . .
C138 C 0.8815(14) 0.6897(10) 1.1001(15) 0.220(16) Uani 1 2 d . . .
C139 C 1.0563(8) 0.7692(9) 0.9215(13) 0.168(7) Uani 1 2 d . . .
C140 C 1.0938(7) 0.8236(9) 0.9482(9) 0.115(4) Uani 1 2 d . . .
C141 C 1.1341(7) 0.8534(6) 0.9140(8) 0.090(3) Uani 1 2 d . . .
C142 C 1.1432(8) 0.8338(7) 0.8515(8) 0.100(4) Uani 1 2 d . . .
C143 C 1.1037(8) 0.7805(8) 0.8223(12) 0.156(6) Uani 1 2 d . . .
C144 C 1.0601(8) 0.7454(6) 0.8573(14) 0.179(8) Uani 1 2 d . . .
C145 C 1.0146(10) 0.6845(8) 0.829(2) 0.336(19) Uani 1 2 d . . .
C146 C 1.0069(13) 0.8814(8) 1.3303(15) 0.157(7) Uani 1 2 d . . .
C147 C 0.9297(14) 0.8821(8) 1.3276(18) 0.156(7) Uani 1 2 d . . .
C148 C 0.927(2) 0.8831(11) 1.3967(18) 0.196(10) Uani 1 2 d . . .
C149 C 0.989(2) 0.8802(17) 1.465(2) 0.243(13) Uani 1 2 d . . .
C150 C 1.064(2) 0.8693(14) 1.4655(17) 0.217(10) Uani 1 2 d . . .
C151 C 1.0759(13) 0.8722(7) 1.3997(14) 0.158(7) Uani 1 2 d . . .
C152 C 1.1558(12) 0.8610(12) 1.4028(16) 0.219(13) Uani 1 2 d . . .
C153 C 0.9066(11) 0.7259(15) 0.6082(12) 0.27(2) Uani 1 2 d . . .
B1 B 0.7039(4) 0.5370(3) 0.9401(3) 0.0256(11) Uani 1 2 d . . .
B2 B 0.2897(4) 0.0412(3) 0.5636(4) 0.0308(12) Uani 1 2 d . . .
H1 H 0.36634 0.31081 0.83201 0.0400 Uiso 1 2 calc R . .
H2 H 0.28498 0.39277 0.77188 0.0457 Uiso 1 2 calc R . .
H3 H 0.33555 0.48792 0.74077 0.0411 Uiso 1 2 calc R . .
H4 H 0.47015 0.4933 0.76278 0.0383 Uiso 1 2 calc R . .
H5 H 0.55288 0.40625 0.81733 0.0345 Uiso 1 2 calc R . .
H7 H 0.48887 0.26181 0.88271 0.0370 Uiso 1 2 calc R . .
H8 H 0.62852 0.32747 0.89764 0.0392 Uiso 1 2 calc R . .
H9 H 0.60257 0.2037 0.94991 0.0407 Uiso 1 2 calc R . .
H10 H 0.7477 0.25157 0.95783 0.0442 Uiso 1 2 calc R . .
H12 H 0.72805 0.22316 1.11474 0.0470 Uiso 1 2 calc R . .
H13A H 0.51956 -0.10811 0.70015 0.0809 Uiso 1 2 calc R . .
H13B H 0.51441 -0.03209 0.69869 0.0809 Uiso 1 2 calc R . .
H13C H 0.48623 -0.07174 0.75431 0.0809 Uiso 1 2 calc R . .
H13D H 0.82654 0.67877 1.08606 0.2635 Uiso 1 2 calc R . .
H13E H 0.911 0.67179 1.14861 0.2635 Uiso 1 2 calc R . .
H13F H 0.90122 0.67219 1.06375 0.2635 Uiso 1 2 calc R . .
H14 H 0.76721 0.18712 1.24311 0.0542 Uiso 1 2 calc R . .
H14A H 0.95923 0.69241 0.8172 0.4035 Uiso 1 2 calc R . .
H14B H 1.03256 0.65131 0.86655 0.4035 Uiso 1 2 calc R . .
H14C H 1.02279 0.67048 0.78434 0.4035 Uiso 1 2 calc R . .
H15 H 0.81341 0.10629 1.33096 0.0593 Uiso 1 2 calc R . .
H15A H 1.17273 0.81838 1.42259 0.2625 Uiso 1 2 calc R . .
H15B H 1.19064 0.89289 1.43467 0.2625 Uiso 1 2 calc R . .
H15C H 1.15704 0.86417 1.35317 0.2625 Uiso 1 2 calc R . .
H15D H 0.89235 0.68086 0.61129 0.3288 Uiso 1 2 calc R . .
H15E H 0.89312 0.75016 0.64527 0.3288 Uiso 1 2 calc R . .
H16 H 0.85474 0.00981 1.29781 0.0602 Uiso 1 2 calc R . .
H17 H 0.8472 -0.00845 1.17854 0.0621 Uiso 1 2 calc R . .
H19 H 0.81783 0.03112 1.05105 0.0481 Uiso 1 2 calc R . .
H21 H 0.75946 0.07611 0.91217 0.0474 Uiso 1 2 calc R . .
H22 H 0.82884 0.19719 0.93272 0.0475 Uiso 1 2 calc R . .
H23 H 0.83256 0.10381 0.82853 0.0504 Uiso 1 2 calc R . .
H24 H 0.8954 0.22472 0.85053 0.0581 Uiso 1 2 calc R . .
H26 H 0.95138 0.2654 0.76635 0.1029 Uiso 1 2 calc R . .
H27 H 1.01486 0.24868 0.68461 0.1542 Uiso 1 2 calc R . .
H28 H 0.98736 0.15488 0.61507 0.1746 Uiso 1 2 calc R . .
H29 H 0.92396 0.07056 0.64893 0.1275 Uiso 1 2 calc R . .
H30 H 0.8768 0.08414 0.74188 0.0896 Uiso 1 2 calc R . .
H31 H 0.61494 0.26518 0.67671 0.0438 Uiso 1 2 calc R . .
H32 H 0.7198 0.19506 0.73042 0.0472 Uiso 1 2 calc R . .
H33 H 0.70234 0.10024 0.78466 0.0434 Uiso 1 2 calc R . .
H34 H 0.57907 0.0746 0.78583 0.0461 Uiso 1 2 calc R . .
H35 H 0.47207 0.13882 0.72439 0.0401 Uiso 1 2 calc R . .
H37 H 0.41307 0.2293 0.65275 0.0358 Uiso 1 2 calc R . .
H38 H 0.50275 0.32278 0.61468 0.0344 Uiso 1 2 calc R . .
H39 H 0.33779 0.31391 0.58042 0.0381 Uiso 1 2 calc R . .
H40 H 0.41478 0.42352 0.55631 0.0369 Uiso 1 2 calc R . .
H42 H 0.3082 0.36711 0.40403 0.0404 Uiso 1 2 calc R . .
H44 H 0.20521 0.34692 0.28172 0.0524 Uiso 1 2 calc R . .
H45 H 0.07664 0.35343 0.2047 0.0603 Uiso 1 2 calc R . .
H46 H -0.01478 0.40249 0.24519 0.0665 Uiso 1 2 calc R . .
H47 H 0.02405 0.44917 0.36079 0.0578 Uiso 1 2 calc R . .
H49 H 0.13027 0.47416 0.48182 0.0501 Uiso 1 2 calc R . .
H51 H 0.2451 0.47874 0.6174 0.0464 Uiso 1 2 calc R . .
H52 H 0.36638 0.51607 0.57117 0.0437 Uiso 1 2 calc R . .
H53 H 0.32923 0.57589 0.68699 0.0453 Uiso 1 2 calc R . .
H54 H 0.43777 0.60728 0.62386 0.0495 Uiso 1 2 calc R . .
H56 H 0.52281 0.69452 0.67047 0.0686 Uiso 1 2 calc R . .
H57 H 0.5741 0.7779 0.75194 0.0774 Uiso 1 2 calc R . .
H58 H 0.5265 0.7964 0.84617 0.0674 Uiso 1 2 calc R . .
H59 H 0.4265 0.73533 0.85278 0.0828 Uiso 1 2 calc R . .
H60 H 0.37228 0.65496 0.77113 0.0689 Uiso 1 2 calc R . .
H62 H 0.77491 0.42515 0.91737 0.0332 Uiso 1 2 calc R . .
H64 H 0.68956 0.40332 0.69581 0.0365 Uiso 1 2 calc R . .
H66 H 0.62427 0.55436 0.79014 0.0342 Uiso 1 2 calc R . .
H70 H 0.86004 0.52309 0.95647 0.0426 Uiso 1 2 calc R . .
H72 H 0.97415 0.5191 1.1775 0.0569 Uiso 1 2 calc R . .
H74 H 0.7389 0.53271 1.09068 0.0421 Uiso 1 2 calc R . .
H78 H 0.65298 0.63637 1.00324 0.0401 Uiso 1 2 calc R . .
H80 H 0.71754 0.79396 0.92133 0.0481 Uiso 1 2 calc R . .
H82 H 0.75344 0.61971 0.85235 0.0401 Uiso 1 2 calc R . .
H86 H 0.68485 0.42986 1.01224 0.0367 Uiso 1 2 calc R . .
H88 H 0.46401 0.44173 1.00696 0.0453 Uiso 1 2 calc R . .
H90 H 0.54825 0.57708 0.90872 0.0397 Uiso 1 2 calc R . .
H94 H 0.37336 0.02637 0.71491 0.0372 Uiso 1 2 calc R . .
H96 H 0.32236 0.18706 0.80284 0.0416 Uiso 1 2 calc R . .
H98 H 0.22173 0.15239 0.58441 0.0389 Uiso 1 2 calc R . .
H102 H 0.45082 0.02354 0.59408 0.0396 Uiso 1 2 calc R . .
H104 H 0.50153 0.16838 0.48187 0.0491 Uiso 1 2 calc R . .
H106 H 0.28277 0.14575 0.47566 0.0414 Uiso 1 2 calc R . .
H110 H 0.14075 0.04927 0.56489 0.0466 Uiso 1 2 calc R . .
H112 H 0.00373 0.04769 0.34873 0.0656 Uiso 1 2 calc R . .
H114 H 0.23772 0.03461 0.41112 0.0478 Uiso 1 2 calc R . .
H118 H 0.25159 -0.04631 0.6516 0.0426 Uiso 1 2 calc R . .
H120 H 0.3313 -0.21379 0.60365 0.0575 Uiso 1 2 calc R . .
H122 H 0.36452 -0.05088 0.50964 0.0438 Uiso 1 2 calc R . .
H125 H 0.56946 -0.06493 0.87357 0.0731 Uiso 1 2 calc R . .
H126 H 0.69253 -0.06023 0.96676 0.0775 Uiso 1 2 calc R . .
H127 H 0.80211 -0.05501 0.93265 0.0770 Uiso 1 2 calc R . .
H128 H 0.78909 -0.05717 0.81215 0.0768 Uiso 1 2 calc R . .
H129 H 0.6658 -0.0631 0.71974 0.0762 Uiso 1 2 calc R . .
H132 H 0.85581 0.78246 1.17775 0.2194 Uiso 1 2 calc R . .
H133 H 0.89057 0.88844 1.1786 0.3169 Uiso 1 2 calc R . .
H134 H 0.9408 0.9299 1.09501 0.1679 Uiso 1 2 calc R . .
H135 H 0.94905 0.85759 1.00773 0.1699 Uiso 1 2 calc R . .
H136 H 0.93297 0.75218 1.01096 0.1600 Uiso 1 2 calc R . .
H139 H 1.02784 0.74763 0.94624 0.2016 Uiso 1 2 calc R . .
H140 H 1.0915 0.841 0.99225 0.1381 Uiso 1 2 calc R . .
H141 H 1.15883 0.892 0.93517 0.1079 Uiso 1 2 calc R . .
H142 H 1.17473 0.85571 0.83025 0.1201 Uiso 1 2 calc R . .
H143 H 1.10466 0.76554 0.77679 0.1867 Uiso 1 2 calc R . .
H146 H 1.01548 0.88707 1.28562 0.1885 Uiso 1 2 calc R . .
H147 H 0.88515 0.8819 1.28352 0.1871 Uiso 1 2 calc R . .
H148 H 0.8772 0.88625 1.39887 0.2348 Uiso 1 2 calc R . .
H149 H 0.97983 0.88546 1.50906 0.2914 Uiso 1 2 calc R . .
H150 H 1.10538 0.8601 1.51033 0.2605 Uiso 1 2 calc R . .
F23A F 0.4397(7) 0.6206(7) 0.9574(8) 0.076(4) Uani 0.5 2 d . . .
F23B F 0.4176(7) 0.5828(9) 0.9840(7) 0.066(4) Uani 0.5 2 d . . .
F22A F 0.3800(11) 0.5417(12) 0.9739(13) 0.117(8) Uani 0.5 2 d . . .
F22B F 0.3614(5) 0.5031(6) 0.9233(6) 0.056(2) Uani 0.5 2 d . . .
F24B F 0.4031(11) 0.5735(12) 0.8699(13) 0.054(5) Uani 0.5 2 d . . .
F24A F 0.3819(11) 0.5633(13) 0.8664(13) 0.073(8) Uani 0.5 2 d . . .
F44A F 0.282(2) -0.1511(14) 0.7494(10) 0.121(12) Uani 0.5 2 d . . .
F44B F 0.2940(14) -0.1869(13) 0.7435(11) 0.112(10) Uani 0.5 2 d . . .
F43B F 0.196(3) -0.1352(12) 0.696(2) 0.175(17) Uani 0.5 2 d . . .
F43A F 0.1776(8) -0.1547(11) 0.6632(9) 0.078(7) Uani 0.5 2 d . . .
F45A F 0.2574(14) -0.2312(8) 0.6787(13) 0.098(7) Uani 0.5 2 d . . .
F45B F 0.2099(12) -0.2216(8) 0.6509(10) 0.084(5) Uani 0.5 2 d . . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pd1 Pd2 2.6384(6) yes . .
Pd1 C3 2.265(7) yes . .
Pd1 C4 2.405(5) yes . .
Pd1 C39 2.389(7) yes . .
Pd1 C40 2.186(7) yes . .
Pd1 C51 2.263(6) yes . .
Pd1 C52 2.312(7) yes . .
Pd2 Pd3 2.5873(6) yes . .
Pd2 C5 2.266(6) yes . .
Pd2 C6 2.203(6) yes . .
Pd2 C37 2.209(6) yes . .
Pd2 C38 2.116(6) yes . .
Pd3 Pd4 2.6441(6) yes . .
Pd3 C7 2.210(7) yes . .
Pd3 C8 2.130(6) yes . .
Pd3 C35 2.427(6) yes . .
Pd3 C36 2.184(6) yes . .
Pd4 C9 2.381(7) yes . .
Pd4 C10 2.183(7) yes . .
Pd4 C21 2.266(6) yes . .
Pd4 C22 2.318(7) yes . .
Pd4 C33 2.219(7) yes . .
Cl1 C153 1.54(2) yes . .
Cl2 C153 1.83(2) yes . .
F1 C67 1.325(9) yes . .
F2 C67 1.352(10) yes . .
F3 C67 1.333(8) yes . .
F4 C68 1.269(11) yes . .
F5 C68 1.287(11) yes . .
F6 C68 1.309(10) yes . .
F7 C75 1.319(15) yes . .
F8 C75 1.314(17) yes . .
F9 C75 1.336(9) yes . .
F10 C76 1.238(10) yes . .
F11 C76 1.341(13) yes . .
F12 C76 1.337(15) yes . .
F13 C83 1.356(9) yes . .
F14 C83 1.320(13) yes . .
F15 C83 1.335(8) yes . .
F16 C84 1.330(10) yes . .
F17 C84 1.306(13) yes . .
F18 C84 1.350(9) yes . .
F19 C91 1.333(9) yes . .
F20 C91 1.343(9) yes . .
F21 C91 1.327(10) yes . .
F25 C99 1.285(12) yes . .
F26 C99 1.298(11) yes . .
F27 C99 1.322(10) yes . .
F28 C100 1.354(10) yes . .
F29 C100 1.346(11) yes . .
F30 C100 1.312(8) yes . .
F31 C107 1.340(10) yes . .
F32 C107 1.310(9) yes . .
F33 C107 1.327(11) yes . .
F34 C108 1.286(14) yes . .
F35 C108 1.333(14) yes . .
F36 C108 1.347(11) yes . .
F37 C115 1.294(12) yes . .
F38 C115 1.412(15) yes . .
F39 C115 1.283(11) yes . .
F40 C116 1.287(11) yes . .
F41 C116 1.325(18) yes . .
F42 C116 1.302(19) yes . .
F46 C124 1.321(11) yes . .
F47 C124 1.330(14) yes . .
F48 C124 1.336(11) yes . .
C1 C2 1.380(9) yes . .
C1 C6 1.422(9) yes . .
C2 C3 1.423(10) yes . .
C3 C4 1.414(10) yes . .
C4 C5 1.430(8) yes . .
C5 C6 1.431(9) yes . .
C6 C7 1.439(8) yes . .
C7 C8 1.410(9) yes . .
C8 C9 1.457(8) yes . .
C9 C10 1.378(9) yes . .
C10 C11 1.501(9) yes . .
C11 C12 1.395(10) yes . .
C11 C20 1.418(10) yes . .
C12 C13 1.399(9) yes . .
C13 C14 1.418(11) yes . .
C13 C18 1.414(11) yes . .
C14 C15 1.392(11) yes . .
C15 C16 1.396(12) yes . .
C16 C17 1.374(13) yes . .
C17 C18 1.400(11) yes . .
C18 C19 1.430(11) yes . .
C19 C20 1.382(9) yes . .
C20 C21 1.473(11) yes . .
C21 C22 1.387(11) yes . .
C22 C23 1.422(12) yes . .
C23 C24 1.325(12) yes . .
C24 C25 1.471(16) yes . .
C25 C26 1.405(17) yes . .
C25 C30 1.364(14) yes . .
C26 C27 1.37(3) yes . .
C27 C28 1.38(2) yes . .
C28 C29 1.40(3) yes . .
C29 C30 1.36(3) yes . .
C31 C32 1.409(9) yes . .
C31 C36 1.418(10) yes . .
C32 C33 1.387(10) yes . .
C33 C34 1.403(11) yes . .
C34 C35 1.392(9) yes . .
C35 C36 1.415(9) yes . .
C36 C37 1.481(8) yes . .
C37 C38 1.401(9) yes . .
C38 C39 1.444(8) yes . .
C39 C40 1.398(9) yes . .
C40 C41 1.486(8) yes . .
C41 C42 1.384(8) yes . .
C41 C50 1.426(11) yes . .
C42 C43 1.397(9) yes . .
C43 C44 1.426(9) yes . .
C43 C48 1.422(12) yes . .
C44 C45 1.367(11) yes . .
C45 C46 1.407(14) yes . .
C46 C47 1.378(11) yes . .
C47 C48 1.413(9) yes . .
C48 C49 1.429(10) yes . .
C49 C50 1.359(9) yes . .
C50 C51 1.495(9) yes . .
C51 C52 1.380(10) yes . .
C52 C53 1.449(9) yes . .
C53 C54 1.345(11) yes . .
C54 C55 1.479(10) yes . .
C55 C56 1.373(14) yes . .
C55 C60 1.409(14) yes . .
C56 C57 1.380(13) yes . .
C57 C58 1.381(17) yes . .
C58 C59 1.360(16) yes . .
C59 C60 1.351(14) yes . .
C61 C62 1.396(8) yes . .
C61 C66 1.403(7) yes . .
C61 B1 1.651(9) yes . .
C62 C63 1.387(9) yes . .
C63 C64 1.379(7) yes . .
C63 C67 1.498(9) yes . .
C64 C65 1.410(9) yes . .
C65 C66 1.382(9) yes . .
C65 C68 1.498(8) yes . .
C69 C70 1.395(10) yes . .
C69 C74 1.402(10) yes . .
C69 B1 1.646(7) yes . .
C70 C71 1.388(9) yes . .
C71 C72 1.381(13) yes . .
C71 C75 1.492(13) yes . .
C72 C73 1.396(12) yes . .
C73 C74 1.394(8) yes . .
C73 C76 1.522(12) yes . .
C77 C78 1.400(10) yes . .
C77 C82 1.410(10) yes . .
C77 B1 1.631(8) yes . .
C78 C79 1.379(9) yes . .
C79 C80 1.392(12) yes . .
C79 C83 1.504(13) yes . .
C80 C81 1.384(11) yes . .
C81 C82 1.377(9) yes . .
C81 C84 1.506(13) yes . .
C85 C86 1.395(8) yes . .
C85 C90 1.413(9) yes . .
C85 B1 1.639(10) yes . .
C86 C87 1.388(10) yes . .
C87 C88 1.393(9) yes . .
C87 C91 1.502(10) yes . .
C88 C89 1.367(10) yes . .
C89 C90 1.394(11) yes . .
C89 C92 1.498(11) yes . .
C92 F23A 1.573(18) yes . .
C92 F23B 1.208(19) yes . .
C92 F22A 1.26(3) yes . .
C92 F22B 1.421(14) yes . .
C92 F24B 1.31(3) yes . .
C92 F24A 1.32(2) yes . .
C93 C94 1.384(7) yes . .
C93 C98 1.408(9) yes . .
C93 B2 1.634(10) yes . .
C94 C95 1.397(9) yes . .
C95 C96 1.383(10) yes . .
C95 C99 1.507(8) yes . .
C96 C97 1.381(8) yes . .
C97 C98 1.392(10) yes . .
C97 C100 1.497(10) yes . .
C101 C102 1.403(9) yes . .
C101 C106 1.411(9) yes . .
C101 B2 1.654(11) yes . .
C102 C103 1.387(10) yes . .
C103 C104 1.390(9) yes . .
C103 C107 1.500(10) yes . .
C104 C105 1.383(11) yes . .
C105 C106 1.374(12) yes . .
C105 C108 1.492(11) yes . .
C109 C110 1.405(11) yes . .
C109 C114 1.401(9) yes . .
C109 B2 1.624(8) yes . .
C110 C111 1.390(9) yes . .
C111 C112 1.397(12) yes . .
C111 C115 1.512(15) yes . .
C112 C113 1.389(13) yes . .
C113 C114 1.401(9) yes . .
C113 C116 1.491(13) yes . .
C117 C118 1.398(11) yes . .
C117 C122 1.410(11) yes . .
C117 B2 1.636(9) yes . .
C118 C119 1.397(10) yes . .
C119 C120 1.390(13) yes . .
C119 C123 1.515(14) yes . .
C120 C121 1.371(13) yes . .
C121 C122 1.390(10) yes . .
C121 C124 1.526(16) yes . .
C123 F44A 1.29(2) yes . .
C123 F44B 1.26(2) yes . .
C123 F43B 1.31(5) yes . .
C123 F43A 1.261(18) yes . .
C123 F45A 1.342(19) yes . .
C123 F45B 1.351(19) yes . .
C125 C126 1.388(13) yes . .
C125 C130 1.372(14) yes . .
C126 C127 1.401(18) yes . .
C127 C128 1.338(17) yes . .
C128 C129 1.392(13) yes . .
C129 C130 1.386(17) yes . .
C130 C131 1.512(12) yes . .
C132 C133 1.42(3) yes . .
C132 C137 1.23(4) yes . .
C133 C134 1.34(5) yes . .
C134 C135 1.39(4) yes . .
C135 C136 1.31(4) yes . .
C136 C137 1.54(3) yes . .
C137 C138 1.41(3) yes . .
C139 C140 1.34(2) yes . .
C139 C144 1.37(4) yes . .
C140 C141 1.33(2) yes . .
C141 C142 1.36(2) yes . .
C142 C143 1.34(2) yes . .
C143 C144 1.44(3) yes . .
C144 C145 1.52(2) yes . .
C146 C147 1.41(4) yes . .
C146 C151 1.50(3) yes . .
C147 C148 1.36(5) yes . .
C148 C149 1.40(4) yes . .
C149 C150 1.40(6) yes . .
C150 C151 1.39(5) yes . .
C151 C152 1.48(4) yes . .
F23A F23B 1.11(2) yes . .
F23B F22A 1.08(3) yes . .
F22A F22B 1.23(3) yes . .
F24B F24A 0.43(3) yes . .
F44A F44B 0.81(4) yes . .
F44A F43B 1.59(5) yes . .
F44B F45A 1.52(3) yes . .
F43B F43A 0.73(4) yes . .
F43A F45B 1.58(3) yes . .
F45A F45B 0.87(3) yes . .
C1 H1 0.950 no . .
C2 H2 0.950 no . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C5 H5 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C16 H16 0.950 no . .
C17 H17 0.950 no . .
C19 H19 0.950 no . .
C21 H21 0.950 no . .
C22 H22 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C26 H26 0.950 no . .
C27 H27 0.950 no . .
C28 H28 0.950 no . .
C29 H29 0.950 no . .
C30 H30 0.950 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C33 H33 0.950 no . .
C34 H34 0.950 no . .
C35 H35 0.950 no . .
C37 H37 0.950 no . .
C38 H38 0.950 no . .
C39 H39 0.950 no . .
C40 H40 0.950 no . .
C42 H42 0.950 no . .
C44 H44 0.950 no . .
C45 H45 0.950 no . .
C46 H46 0.950 no . .
C47 H47 0.950 no . .
C49 H49 0.950 no . .
C51 H51 0.950 no . .
C52 H52 0.950 no . .
C53 H53 0.950 no . .
C54 H54 0.950 no . .
C56 H56 0.950 no . .
C57 H57 0.950 no . .
C58 H58 0.950 no . .
C59 H59 0.950 no . .
C60 H60 0.950 no . .
C62 H62 0.950 no . .
C64 H64 0.950 no . .
C66 H66 0.950 no . .
C70 H70 0.950 no . .
C72 H72 0.950 no . .
C74 H74 0.950 no . .
C78 H78 0.950 no . .
C80 H80 0.950 no . .
C82 H82 0.950 no . .
C86 H86 0.950 no . .
C88 H88 0.950 no . .
C90 H90 0.950 no . .
C94 H94 0.950 no . .
C96 H96 0.950 no . .
C98 H98 0.950 no . .
C102 H102 0.950 no . .
C104 H104 0.950 no . .
C106 H106 0.950 no . .
C110 H110 0.950 no . .
C112 H112 0.950 no . .
C114 H114 0.950 no . .
C118 H118 0.950 no . .
C120 H120 0.950 no . .
C122 H122 0.950 no . .
C125 H125 0.950 no . .
C126 H126 0.950 no . .
C127 H127 0.950 no . .
C128 H128 0.950 no . .
C129 H129 0.950 no . .
C131 H13A 0.980 no . .
C131 H13B 0.980 no . .
C131 H13C 0.980 no . .
C132 H132 0.950 no . .
C133 H133 0.950 no . .
C134 H134 0.950 no . .
C135 H135 0.950 no . .
C136 H136 0.950 no . .
C138 H13D 0.980 no . .
C138 H13E 0.980 no . .
C138 H13F 0.980 no . .
C139 H139 0.950 no . .
C140 H140 0.950 no . .
C141 H141 0.950 no . .
C142 H142 0.950 no . .
C143 H143 0.950 no . .
C145 H14A 0.980 no . .
C145 H14B 0.980 no . .
C145 H14C 0.980 no . .
C146 H146 0.950 no . .
C147 H147 0.950 no . .
C148 H148 0.950 no . .
C149 H149 0.950 no . .
C150 H150 0.950 no . .
C152 H15A 0.980 no . .
C152 H15B 0.980 no . .
C152 H15C 0.980 no . .
C153 H15D 0.990 no . .
C153 H15E 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Pd2 Pd1 C3 87.08(16) yes . . .
Pd2 Pd1 C4 70.87(14) yes . . .
Pd2 Pd1 C39 62.97(13) yes . . .
Pd2 Pd1 C40 93.73(16) yes . . .
Pd2 Pd1 C51 162.87(18) yes . . .
Pd2 Pd1 C52 161.67(18) yes . . .
C3 Pd1 C4 35.1(3) yes . . .
C3 Pd1 C39 144.3(2) yes . . .
C3 Pd1 C40 177.6(3) yes . . .
C3 Pd1 C51 96.1(3) yes . . .
C3 Pd1 C52 94.3(2) yes . . .
C4 Pd1 C39 132.4(2) yes . . .
C4 Pd1 C40 147.3(3) yes . . .
C4 Pd1 C51 120.2(2) yes . . .
C4 Pd1 C52 100.2(2) yes . . .
C39 Pd1 C40 35.2(2) yes . . .
C39 Pd1 C51 107.3(2) yes . . .
C39 Pd1 C52 120.3(2) yes . . .
C40 Pd1 C51 82.5(2) yes . . .
C40 Pd1 C52 85.6(2) yes . . .
C51 Pd1 C52 35.1(3) yes . . .
Pd1 Pd2 Pd3 172.73(2) yes . . .
Pd1 Pd2 C5 79.24(13) yes . . .
Pd1 Pd2 C6 99.08(16) yes . . .
Pd1 Pd2 C37 114.36(13) yes . . .
Pd1 Pd2 C38 83.01(16) yes . . .
Pd3 Pd2 C5 94.27(13) yes . . .
Pd3 Pd2 C6 77.21(16) yes . . .
Pd3 Pd2 C37 71.54(13) yes . . .
Pd3 Pd2 C38 100.78(16) yes . . .
C5 Pd2 C6 37.3(2) yes . . .
C5 Pd2 C37 163.6(2) yes . . .
C5 Pd2 C38 144.2(2) yes . . .
C6 Pd2 C37 140.2(2) yes . . .
C6 Pd2 C38 177.8(2) yes . . .
C37 Pd2 C38 37.7(2) yes . . .
Pd2 Pd3 Pd4 164.87(3) yes . . .
Pd2 Pd3 C7 72.24(14) yes . . .
Pd2 Pd3 C8 98.66(16) yes . . .
Pd2 Pd3 C35 101.73(13) yes . . .
Pd2 Pd3 C36 77.98(14) yes . . .
Pd4 Pd3 C7 114.61(13) yes . . .
Pd4 Pd3 C8 82.14(17) yes . . .
Pd4 Pd3 C35 82.98(14) yes . . .
Pd4 Pd3 C36 99.17(15) yes . . .
C7 Pd3 C8 37.9(2) yes . . .
C7 Pd3 C35 135.0(2) yes . . .
C7 Pd3 C36 144.3(2) yes . . .
C8 Pd3 C35 152.4(2) yes . . .
C8 Pd3 C36 171.9(2) yes . . .
C35 Pd3 C36 35.3(2) yes . . .
Pd3 Pd4 C9 62.84(13) yes . . .
Pd3 Pd4 C10 94.09(17) yes . . .
Pd3 Pd4 C21 168.5(2) yes . . .
Pd3 Pd4 C22 155.38(18) yes . . .
Pd3 Pd4 C33 85.50(17) yes . . .
C9 Pd4 C10 34.8(2) yes . . .
C9 Pd4 C21 109.4(2) yes . . .
C9 Pd4 C22 119.7(2) yes . . .
C9 Pd4 C33 144.6(2) yes . . .
C10 Pd4 C21 81.2(2) yes . . .
C10 Pd4 C22 84.9(3) yes . . .
C10 Pd4 C33 179.4(3) yes . . .
C21 Pd4 C22 35.2(3) yes . . .
C21 Pd4 C33 99.1(2) yes . . .
C22 Pd4 C33 95.6(3) yes . . .
C2 C1 C6 122.1(6) yes . . .
C1 C2 C3 121.1(7) yes . . .
Pd1 C3 C2 100.8(4) yes . . .
Pd1 C3 C4 77.9(4) yes . . .
C2 C3 C4 118.1(6) yes . . .
Pd1 C4 C3 67.0(3) yes . . .
Pd1 C4 C5 107.2(4) yes . . .
C3 C4 C5 120.9(6) yes . . .
Pd2 C5 C4 102.5(3) yes . . .
Pd2 C5 C6 68.9(3) yes . . .
C4 C5 C6 120.0(6) yes . . .
Pd2 C6 C1 95.0(4) yes . . .
Pd2 C6 C5 73.7(4) yes . . .
Pd2 C6 C7 100.6(4) yes . . .
C1 C6 C5 117.5(5) yes . . .
C1 C6 C7 118.4(6) yes . . .
C5 C6 C7 124.1(6) yes . . .
Pd3 C7 C6 109.0(4) yes . . .
Pd3 C7 C8 68.0(4) yes . . .
C6 C7 C8 127.7(6) yes . . .
Pd3 C8 C7 74.2(3) yes . . .
Pd3 C8 C9 92.3(4) yes . . .
C7 C8 C9 119.8(6) yes . . .
Pd4 C9 C8 108.5(5) yes . . .
Pd4 C9 C10 64.7(4) yes . . .
C8 C9 C10 124.9(6) yes . . .
Pd4 C10 C9 80.5(4) yes . . .
Pd4 C10 C11 105.4(4) yes . . .
C9 C10 C11 120.5(7) yes . . .
C10 C11 C12 120.5(6) yes . . .
C10 C11 C20 120.1(6) yes . . .
C12 C11 C20 119.4(6) yes . . .
C11 C12 C13 120.5(7) yes . . .
C12 C13 C14 121.0(7) yes . . .
C12 C13 C18 120.6(7) yes . . .
C14 C13 C18 118.4(6) yes . . .
C13 C14 C15 120.7(8) yes . . .
C14 C15 C16 119.3(8) yes . . .
C15 C16 C17 121.5(7) yes . . .
C16 C17 C18 119.8(8) yes . . .
C13 C18 C17 120.3(7) yes . . .
C13 C18 C19 118.2(6) yes . . .
C17 C18 C19 121.4(7) yes . . .
C18 C19 C20 120.5(7) yes . . .
C11 C20 C19 120.4(7) yes . . .
C11 C20 C21 119.3(6) yes . . .
C19 C20 C21 120.3(7) yes . . .
Pd4 C21 C20 103.3(5) yes . . .
Pd4 C21 C22 74.4(4) yes . . .
C20 C21 C22 123.7(6) yes . . .
Pd4 C22 C21 70.4(4) yes . . .
Pd4 C22 C23 111.1(4) yes . . .
C21 C22 C23 125.5(7) yes . . .
C22 C23 C24 125.4(7) yes . . .
C23 C24 C25 127.7(7) yes . . .
C24 C25 C26 119.3(9) yes . . .
C24 C25 C30 122.6(10) yes . . .
C26 C25 C30 118.1(12) yes . . .
C25 C26 C27 121.9(11) yes . . .
C26 C27 C28 117.9(18) yes . . .
C27 C28 C29 120(2) yes . . .
C28 C29 C30 119.9(14) yes . . .
C25 C30 C29 121.3(12) yes . . .
C32 C31 C36 119.7(6) yes . . .
C31 C32 C33 120.8(7) yes . . .
Pd4 C33 C32 90.1(4) yes . . .
Pd4 C33 C34 90.8(5) yes . . .
C32 C33 C34 119.5(6) yes . . .
C33 C34 C35 120.6(6) yes . . .
Pd3 C35 C34 99.2(4) yes . . .
Pd3 C35 C36 62.9(3) yes . . .
C34 C35 C36 120.5(7) yes . . .
Pd3 C36 C31 86.3(4) yes . . .
Pd3 C36 C35 81.8(4) yes . . .
Pd3 C36 C37 98.8(4) yes . . .
C31 C36 C35 118.5(5) yes . . .
C31 C36 C37 123.7(5) yes . . .
C35 C36 C37 117.7(6) yes . . .
Pd2 C37 C36 108.1(3) yes . . .
Pd2 C37 C38 67.6(4) yes . . .
C36 C37 C38 127.2(6) yes . . .
Pd2 C38 C37 74.7(4) yes . . .
Pd2 C38 C39 93.5(4) yes . . .
C37 C38 C39 120.6(6) yes . . .
Pd1 C39 C38 109.4(4) yes . . .
Pd1 C39 C40 64.4(4) yes . . .
C38 C39 C40 125.3(6) yes . . .
Pd1 C40 C39 80.3(4) yes . . .
Pd1 C40 C41 106.6(5) yes . . .
C39 C40 C41 118.9(6) yes . . .
C40 C41 C42 120.2(6) yes . . .
C40 C41 C50 120.6(5) yes . . .
C42 C41 C50 118.9(5) yes . . .
C41 C42 C43 121.8(7) yes . . .
C42 C43 C44 122.3(7) yes . . .
C42 C43 C48 119.3(6) yes . . .
C44 C43 C48 118.3(6) yes . . .
C43 C44 C45 121.1(8) yes . . .
C44 C45 C46 120.1(7) yes . . .
C45 C46 C47 120.6(7) yes . . .
C46 C47 C48 120.3(8) yes . . .
C43 C48 C47 119.6(6) yes . . .
C43 C48 C49 118.0(6) yes . . .
C47 C48 C49 122.4(8) yes . . .
C48 C49 C50 121.6(8) yes . . .
C41 C50 C49 120.1(6) yes . . .
C41 C50 C51 118.9(5) yes . . .
C49 C50 C51 120.8(7) yes . . .
Pd1 C51 C50 102.6(4) yes . . .
Pd1 C51 C52 74.4(4) yes . . .
C50 C51 C52 120.3(7) yes . . .
Pd1 C52 C51 70.5(4) yes . . .
Pd1 C52 C53 110.6(4) yes . . .
C51 C52 C53 125.6(8) yes . . .
C52 C53 C54 120.8(8) yes . . .
C53 C54 C55 127.7(8) yes . . .
C54 C55 C56 119.4(9) yes . . .
C54 C55 C60 122.7(8) yes . . .
C56 C55 C60 117.9(8) yes . . .
C55 C56 C57 122.2(11) yes . . .
C56 C57 C58 118.7(10) yes . . .
C57 C58 C59 119.3(9) yes . . .
C58 C59 C60 122.8(12) yes . . .
C55 C60 C59 119.1(10) yes . . .
C62 C61 C66 115.7(5) yes . . .
C62 C61 B1 122.8(4) yes . . .
C66 C61 B1 121.3(5) yes . . .
C61 C62 C63 121.9(5) yes . . .
C62 C63 C64 122.2(5) yes . . .
C62 C63 C67 119.3(5) yes . . .
C64 C63 C67 118.5(6) yes . . .
C63 C64 C65 116.7(6) yes . . .
C64 C65 C66 120.9(5) yes . . .
C64 C65 C68 118.4(6) yes . . .
C66 C65 C68 120.7(6) yes . . .
C61 C66 C65 122.5(5) yes . . .
F1 C67 F2 106.1(6) yes . . .
F1 C67 F3 106.5(7) yes . . .
F1 C67 C63 112.7(5) yes . . .
F2 C67 F3 105.4(5) yes . . .
F2 C67 C63 111.3(7) yes . . .
F3 C67 C63 114.2(5) yes . . .
F4 C68 F5 110.8(7) yes . . .
F4 C68 F6 102.1(9) yes . . .
F4 C68 C65 113.6(7) yes . . .
F5 C68 F6 102.7(8) yes . . .
F5 C68 C65 113.7(6) yes . . .
F6 C68 C65 112.8(5) yes . . .
C70 C69 C74 115.7(5) yes . . .
C70 C69 B1 122.7(6) yes . . .
C74 C69 B1 121.1(6) yes . . .
C69 C70 C71 121.8(7) yes . . .
C70 C71 C72 122.1(8) yes . . .
C70 C71 C75 118.4(8) yes . . .
C72 C71 C75 119.5(7) yes . . .
C71 C72 C73 117.2(6) yes . . .
C72 C73 C74 120.6(7) yes . . .
C72 C73 C76 120.2(6) yes . . .
C74 C73 C76 119.2(7) yes . . .
C69 C74 C73 122.5(7) yes . . .
F7 C75 F8 102.9(10) yes . . .
F7 C75 F9 102.7(7) yes . . .
F7 C75 C71 113.2(8) yes . . .
F8 C75 F9 109.6(8) yes . . .
F8 C75 C71 112.8(7) yes . . .
F9 C75 C71 114.7(9) yes . . .
F10 C76 F11 106.2(8) yes . . .
F10 C76 F12 111.2(9) yes . . .
F10 C76 C73 115.3(9) yes . . .
F11 C76 F12 101.1(9) yes . . .
F11 C76 C73 109.5(8) yes . . .
F12 C76 C73 112.4(7) yes . . .
C78 C77 C82 114.9(6) yes . . .
C78 C77 B1 121.2(6) yes . . .
C82 C77 B1 123.3(6) yes . . .
C77 C78 C79 122.9(7) yes . . .
C78 C79 C80 120.7(7) yes . . .
C78 C79 C83 117.9(7) yes . . .
C80 C79 C83 121.3(6) yes . . .
C79 C80 C81 117.7(6) yes . . .
C80 C81 C82 121.3(7) yes . . .
C80 C81 C84 117.7(6) yes . . .
C82 C81 C84 121.0(7) yes . . .
C77 C82 C81 122.4(7) yes . . .
F13 C83 F14 103.8(8) yes . . .
F13 C83 F15 108.2(6) yes . . .
F13 C83 C79 111.5(7) yes . . .
F14 C83 F15 106.0(8) yes . . .
F14 C83 C79 112.8(6) yes . . .
F15 C83 C79 113.9(8) yes . . .
F16 C84 F17 111.5(9) yes . . .
F16 C84 F18 101.8(6) yes . . .
F16 C84 C81 112.8(7) yes . . .
F17 C84 F18 103.4(7) yes . . .
F17 C84 C81 114.1(7) yes . . .
F18 C84 C81 112.2(8) yes . . .
C86 C85 C90 115.3(6) yes . . .
C86 C85 B1 120.6(5) yes . . .
C90 C85 B1 124.1(5) yes . . .
C85 C86 C87 122.5(6) yes . . .
C86 C87 C88 121.2(6) yes . . .
C86 C87 C91 121.1(6) yes . . .
C88 C87 C91 117.5(7) yes . . .
C87 C88 C89 117.2(7) yes . . .
C88 C89 C90 122.2(6) yes . . .
C88 C89 C92 117.5(7) yes . . .
C90 C89 C92 120.2(7) yes . . .
C85 C90 C89 121.4(6) yes . . .
F19 C91 F20 105.6(6) yes . . .
F19 C91 F21 108.4(5) yes . . .
F19 C91 C87 112.8(7) yes . . .
F20 C91 F21 105.4(7) yes . . .
F20 C91 C87 112.0(5) yes . . .
F21 C91 C87 112.2(6) yes . . .
C89 C92 F23A 108.6(7) yes . . .
C89 C92 F23B 114.4(8) yes . . .
C89 C92 F22A 120.5(12) yes . . .
C89 C92 F22B 108.2(8) yes . . .
C89 C92 F24B 109.2(12) yes . . .
C89 C92 F24A 119.4(13) yes . . .
F23A C92 F23B 44.5(11) yes . . .
F23A C92 F22A 94.0(14) yes . . .
F23A C92 F22B 140.4(10) yes . . .
F23A C92 F24B 80.4(13) yes . . .
F23A C92 F24A 92.0(14) yes . . .
F23B C92 F22A 52.0(14) yes . . .
F23B C92 F22B 105.5(11) yes . . .
F23B C92 F24B 117.2(15) yes . . .
F23B C92 F24A 119.4(16) yes . . .
F22A C92 F22B 54.1(12) yes . . .
F22A C92 F24B 128.8(14) yes . . .
F22A C92 F24A 113.6(15) yes . . .
F22B C92 F24B 101.0(11) yes . . .
F22B C92 F24A 82.6(13) yes . . .
F24B C92 F24A 18.8(14) yes . . .
C94 C93 C98 115.2(6) yes . . .
C94 C93 B2 124.1(5) yes . . .
C98 C93 B2 120.3(5) yes . . .
C93 C94 C95 122.7(6) yes . . .
C94 C95 C96 121.0(5) yes . . .
C94 C95 C99 120.3(6) yes . . .
C96 C95 C99 118.7(6) yes . . .
C95 C96 C97 117.7(6) yes . . .
C96 C97 C98 120.9(6) yes . . .
C96 C97 C100 120.6(6) yes . . .
C98 C97 C100 118.5(5) yes . . .
C93 C98 C97 122.5(5) yes . . .
F25 C99 F26 108.0(7) yes . . .
F25 C99 F27 104.8(8) yes . . .
F25 C99 C95 113.5(6) yes . . .
F26 C99 F27 104.1(7) yes . . .
F26 C99 C95 114.2(6) yes . . .
F27 C99 C95 111.4(6) yes . . .
F28 C100 F29 105.2(6) yes . . .
F28 C100 F30 106.0(7) yes . . .
F28 C100 C97 112.7(6) yes . . .
F29 C100 F30 106.3(6) yes . . .
F29 C100 C97 112.3(7) yes . . .
F30 C100 C97 113.7(6) yes . . .
C102 C101 C106 115.6(7) yes . . .
C102 C101 B2 124.1(5) yes . . .
C106 C101 B2 120.1(6) yes . . .
C101 C102 C103 121.6(6) yes . . .
C102 C103 C104 121.3(6) yes . . .
C102 C103 C107 118.6(6) yes . . .
C104 C103 C107 120.0(7) yes . . .
C103 C104 C105 117.9(8) yes . . .
C104 C105 C106 121.0(6) yes . . .
C104 C105 C108 119.9(8) yes . . .
C106 C105 C108 118.9(7) yes . . .
C101 C106 C105 122.5(6) yes . . .
F31 C107 F32 105.6(7) yes . . .
F31 C107 F33 106.5(8) yes . . .
F31 C107 C103 111.1(5) yes . . .
F32 C107 F33 106.7(6) yes . . .
F32 C107 C103 113.5(7) yes . . .
F33 C107 C103 112.9(6) yes . . .
F34 C108 F35 106.8(9) yes . . .
F34 C108 F36 105.7(11) yes . . .
F34 C108 C105 112.1(7) yes . . .
F35 C108 F36 105.9(7) yes . . .
F35 C108 C105 113.0(10) yes . . .
F36 C108 C105 112.8(7) yes . . .
C110 C109 C114 115.8(5) yes . . .
C110 C109 B2 121.7(6) yes . . .
C114 C109 B2 122.3(7) yes . . .
C109 C110 C111 122.6(7) yes . . .
C110 C111 C112 120.2(8) yes . . .
C110 C111 C115 119.4(7) yes . . .
C112 C111 C115 120.4(7) yes . . .
C111 C112 C113 118.8(6) yes . . .
C112 C113 C114 120.2(7) yes . . .
C112 C113 C116 120.6(7) yes . . .
C114 C113 C116 119.2(8) yes . . .
C109 C114 C113 122.4(8) yes . . .
F37 C115 F38 104.5(11) yes . . .
F37 C115 F39 110.0(10) yes . . .
F37 C115 C111 113.1(7) yes . . .
F38 C115 F39 104.7(9) yes . . .
F38 C115 C111 109.9(10) yes . . .
F39 C115 C111 113.8(9) yes . . .
F40 C116 F41 104.7(9) yes . . .
F40 C116 F42 106.6(9) yes . . .
F40 C116 C113 115.8(10) yes . . .
F41 C116 F42 102.6(12) yes . . .
F41 C116 C113 112.9(9) yes . . .
F42 C116 C113 113.1(9) yes . . .
C118 C117 C122 115.5(6) yes . . .
C118 C117 B2 121.8(6) yes . . .
C122 C117 B2 122.3(6) yes . . .
C117 C118 C119 122.3(7) yes . . .
C118 C119 C120 120.5(8) yes . . .
C118 C119 C123 118.6(8) yes . . .
C120 C119 C123 120.9(7) yes . . .
C119 C120 C121 118.5(7) yes . . .
C120 C121 C122 121.1(8) yes . . .
C120 C121 C124 121.4(7) yes . . .
C122 C121 C124 117.5(8) yes . . .
C117 C122 C121 122.2(7) yes . . .
C119 C123 F44A 111.2(17) yes . . .
C119 C123 F44B 116.9(15) yes . . .
C119 C123 F43B 115.4(18) yes . . .
C119 C123 F43A 112.1(11) yes . . .
C119 C123 F45A 110.1(15) yes . . .
C119 C123 F45B 113.3(12) yes . . .
F44A C123 F44B 36.8(19) yes . . .
F44A C123 F43B 75(2) yes . . .
F44A C123 F43A 106(2) yes . . .
F44A C123 F45A 107.1(17) yes . . .
F44A C123 F45B 131.2(18) yes . . .
F44B C123 F43B 104(2) yes . . .
F44B C123 F43A 126.9(18) yes . . .
F44B C123 F45A 71.2(16) yes . . .
F44B C123 F45B 102.8(15) yes . . .
F43B C123 F43A 33.0(18) yes . . .
F43B C123 F45A 130(2) yes . . .
F43B C123 F45B 102.6(19) yes . . .
F43A C123 F45A 109.7(16) yes . . .
F43A C123 F45B 74.4(14) yes . . .
F45A C123 F45B 37.8(12) yes . . .
F46 C124 F47 108.1(9) yes . . .
F46 C124 F48 108.4(8) yes . . .
F46 C124 C121 112.6(10) yes . . .
F47 C124 F48 103.7(10) yes . . .
F47 C124 C121 112.5(8) yes . . .
F48 C124 C121 111.1(9) yes . . .
C126 C125 C130 122.0(11) yes . . .
C125 C126 C127 117.6(10) yes . . .
C126 C127 C128 121.5(9) yes . . .
C127 C128 C129 120.0(12) yes . . .
C128 C129 C130 120.5(10) yes . . .
C125 C130 C129 118.4(8) yes . . .
C125 C130 C131 119.2(10) yes . . .
C129 C130 C131 122.4(9) yes . . .
C133 C132 C137 123(3) yes . . .
C132 C133 C134 124(3) yes . . .
C133 C134 C135 112(2) yes . . .
C134 C135 C136 129(3) yes . . .
C135 C136 C137 114(2) yes . . .
C132 C137 C136 118(2) yes . . .
C132 C137 C138 131(3) yes . . .
C136 C137 C138 111(2) yes . . .
C140 C139 C144 118(2) yes . . .
C139 C140 C141 120.8(19) yes . . .
C140 C141 C142 126.1(13) yes . . .
C141 C142 C143 114.0(17) yes . . .
C142 C143 C144 123(2) yes . . .
C139 C144 C143 118.1(15) yes . . .
C139 C144 C145 116(2) yes . . .
C143 C144 C145 126(3) yes . . .
C147 C146 C151 124(3) yes . . .
C146 C147 C148 111(2) yes . . .
C147 C148 C149 129(4) yes . . .
C148 C149 C150 119(4) yes . . .
C149 C150 C151 118(3) yes . . .
C146 C151 C150 118(3) yes . . .
C146 C151 C152 125(3) yes . . .
C150 C151 C152 117(2) yes . . .
Cl1 C153 Cl2 113.7(16) yes . . .
C61 B1 C69 112.9(5) yes . . .
C61 B1 C77 112.5(5) yes . . .
C61 B1 C85 105.3(4) yes . . .
C69 B1 C77 102.6(4) yes . . .
C69 B1 C85 110.1(5) yes . . .
C77 B1 C85 113.7(5) yes . . .
C93 B2 C101 102.7(5) yes . . .
C93 B2 C109 113.2(6) yes . . .
C93 B2 C117 112.5(5) yes . . .
C101 B2 C109 110.8(5) yes . . .
C101 B2 C117 112.6(6) yes . . .
C109 B2 C117 105.2(5) yes . . .
C92 F23A F23B 50.0(11) yes . . .
C92 F23B F23A 85.6(14) yes . . .
C92 F23B F22A 66.5(18) yes . . .
F23A F23B F22A 144.3(19) yes . . .
C92 F22A F23B 61.5(16) yes . . .
C92 F22A F22B 69.7(16) yes . . .
F23B F22A F22B 130(3) yes . . .
C92 F22B F22A 56.3(13) yes . . .
C92 F24B F24A 82(5) yes . . .
C92 F24A F24B 80(4) yes . . .
C123 F44A F44B 69(2) yes . . .
C123 F44A F43B 52.9(19) yes . . .
F44B F44A F43B 112(3) yes . . .
C123 F44B F44A 74(2) yes . . .
C123 F44B F45A 56.9(11) yes . . .
F44A F44B F45A 129(3) yes . . .
C123 F43B F44A 52.0(18) yes . . .
C123 F43B F43A 70(4) yes . . .
F44A F43B F43A 119(4) yes . . .
C123 F43A F43B 77(4) yes . . .
C123 F43A F45B 55.4(11) yes . . .
F43B F43A F45B 124(3) yes . . .
C123 F45A F44B 51.9(12) yes . . .
C123 F45A F45B 71.7(17) yes . . .
F44B F45A F45B 115(2) yes . . .
C123 F45B F43A 50.2(9) yes . . .
C123 F45B F45A 70.6(16) yes . . .
F43A F45B F45A 118(2) yes . . .
C2 C1 H1 118.937 no . . .
C6 C1 H1 118.921 no . . .
C1 C2 H2 119.435 no . . .
C3 C2 H2 119.428 no . . .
Pd1 C3 H3 91.246 no . . .
C2 C3 H3 120.959 no . . .
C4 C3 H3 120.942 no . . .
Pd1 C4 H4 95.499 no . . .
C3 C4 H4 119.553 no . . .
C5 C4 H4 119.551 no . . .
Pd2 C5 H5 98.202 no . . .
C4 C5 H5 119.991 no . . .
C6 C5 H5 119.993 no . . .
Pd3 C7 H7 93.228 no . . .
C6 C7 H7 116.137 no . . .
C8 C7 H7 116.140 no . . .
Pd3 C8 H8 103.375 no . . .
C7 C8 H8 120.116 no . . .
C9 C8 H8 120.128 no . . .
Pd4 C9 H9 96.872 no . . .
C8 C9 H9 117.541 no . . .
C10 C9 H9 117.526 no . . .
Pd4 C10 H10 84.223 no . . .
C9 C10 H10 119.764 no . . .
C11 C10 H10 119.774 no . . .
C11 C12 H12 119.717 no . . .
C13 C12 H12 119.734 no . . .
C13 C14 H14 119.670 no . . .
C15 C14 H14 119.663 no . . .
C14 C15 H15 120.375 no . . .
C16 C15 H15 120.366 no . . .
C15 C16 H16 119.244 no . . .
C17 C16 H16 119.238 no . . .
C16 C17 H17 120.083 no . . .
C18 C17 H17 120.092 no . . .
C18 C19 H19 119.746 no . . .
C20 C19 H19 119.726 no . . .
Pd4 C21 H21 92.314 no . . .
C20 C21 H21 118.153 no . . .
C22 C21 H21 118.155 no . . .
Pd4 C22 H22 88.497 no . . .
C21 C22 H22 117.258 no . . .
C23 C22 H22 117.241 no . . .
C22 C23 H23 117.275 no . . .
C24 C23 H23 117.279 no . . .
C23 C24 H24 116.146 no . . .
C25 C24 H24 116.161 no . . .
C25 C26 H26 119.058 no . . .
C27 C26 H26 119.073 no . . .
C26 C27 H27 121.039 no . . .
C28 C27 H27 121.033 no . . .
C27 C28 H28 119.824 no . . .
C29 C28 H28 119.821 no . . .
C28 C29 H29 120.061 no . . .
C30 C29 H29 120.056 no . . .
C25 C30 H30 119.353 no . . .
C29 C30 H30 119.346 no . . .
C32 C31 H31 120.146 no . . .
C36 C31 H31 120.155 no . . .
C31 C32 H32 119.576 no . . .
C33 C32 H32 119.584 no . . .
Pd4 C33 H33 89.051 no . . .
C32 C33 H33 120.245 no . . .
C34 C33 H33 120.239 no . . .
C33 C34 H34 119.709 no . . .
C35 C34 H34 119.699 no . . .
Pd3 C35 H35 107.315 no . . .
C34 C35 H35 119.754 no . . .
C36 C35 H35 119.736 no . . .
Pd2 C37 H37 94.537 no . . .
C36 C37 H37 116.422 no . . .
C38 C37 H37 116.406 no . . .
Pd2 C38 H38 101.752 no . . .
C37 C38 H38 119.718 no . . .
C39 C38 H38 119.695 no . . .
Pd1 C39 H39 96.242 no . . .
C38 C39 H39 117.365 no . . .
C40 C39 H39 117.365 no . . .
Pd1 C40 H40 83.369 no . . .
C39 C40 H40 120.577 no . . .
C41 C40 H40 120.572 no . . .
C41 C42 H42 119.103 no . . .
C43 C42 H42 119.105 no . . .
C43 C44 H44 119.455 no . . .
C45 C44 H44 119.460 no . . .
C44 C45 H45 119.925 no . . .
C46 C45 H45 119.936 no . . .
C45 C46 H46 119.700 no . . .
C47 C46 H46 119.706 no . . .
C46 C47 H47 119.852 no . . .
C48 C47 H47 119.865 no . . .
C48 C49 H49 119.203 no . . .
C50 C49 H49 119.205 no . . .
Pd1 C51 H51 92.955 no . . .
C50 C51 H51 119.871 no . . .
C52 C51 H51 119.876 no . . .
Pd1 C52 H52 88.895 no . . .
C51 C52 H52 117.194 no . . .
C53 C52 H52 117.192 no . . .
C52 C53 H53 119.590 no . . .
C54 C53 H53 119.561 no . . .
C53 C54 H54 116.162 no . . .
C55 C54 H54 116.162 no . . .
C55 C56 H56 118.893 no . . .
C57 C56 H56 118.905 no . . .
C56 C57 H57 120.669 no . . .
C58 C57 H57 120.671 no . . .
C57 C58 H58 120.350 no . . .
C59 C58 H58 120.358 no . . .
C58 C59 H59 118.571 no . . .
C60 C59 H59 118.595 no . . .
C55 C60 H60 120.474 no . . .
C59 C60 H60 120.467 no . . .
C61 C62 H62 119.034 no . . .
C63 C62 H62 119.034 no . . .
C63 C64 H64 121.648 no . . .
C65 C64 H64 121.636 no . . .
C61 C66 H66 118.776 no . . .
C65 C66 H66 118.773 no . . .
C69 C70 H70 119.079 no . . .
C71 C70 H70 119.073 no . . .
C71 C72 H72 121.393 no . . .
C73 C72 H72 121.398 no . . .
C69 C74 H74 118.733 no . . .
C73 C74 H74 118.745 no . . .
C77 C78 H78 118.534 no . . .
C79 C78 H78 118.516 no . . .
C79 C80 H80 121.161 no . . .
C81 C80 H80 121.142 no . . .
C77 C82 H82 118.814 no . . .
C81 C82 H82 118.780 no . . .
C85 C86 H86 118.746 no . . .
C87 C86 H86 118.735 no . . .
C87 C88 H88 121.404 no . . .
C89 C88 H88 121.385 no . . .
C85 C90 H90 119.276 no . . .
C89 C90 H90 119.279 no . . .
C93 C94 H94 118.621 no . . .
C95 C94 H94 118.646 no . . .
C95 C96 H96 121.142 no . . .
C97 C96 H96 121.143 no . . .
C93 C98 H98 118.766 no . . .
C97 C98 H98 118.763 no . . .
C101 C102 H102 119.173 no . . .
C103 C102 H102 119.198 no . . .
C103 C104 H104 121.045 no . . .
C105 C104 H104 121.027 no . . .
C101 C106 H106 118.752 no . . .
C105 C106 H106 118.760 no . . .
C109 C110 H110 118.716 no . . .
C111 C110 H110 118.710 no . . .
C111 C112 H112 120.617 no . . .
C113 C112 H112 120.598 no . . .
C109 C114 H114 118.812 no . . .
C113 C114 H114 118.814 no . . .
C117 C118 H118 118.875 no . . .
C119 C118 H118 118.872 no . . .
C119 C120 H120 120.771 no . . .
C121 C120 H120 120.768 no . . .
C117 C122 H122 118.909 no . . .
C121 C122 H122 118.916 no . . .
C126 C125 H125 118.988 no . . .
C130 C125 H125 118.985 no . . .
C125 C126 H126 121.219 no . . .
C127 C126 H126 121.226 no . . .
C126 C127 H127 119.257 no . . .
C128 C127 H127 119.242 no . . .
C127 C128 H128 119.979 no . . .
C129 C128 H128 119.984 no . . .
C128 C129 H129 119.768 no . . .
C130 C129 H129 119.765 no . . .
C130 C131 H13A 109.463 no . . .
C130 C131 H13B 109.475 no . . .
C130 C131 H13C 109.476 no . . .
H13A C131 H13B 109.455 no . . .
H13A C131 H13C 109.474 no . . .
H13B C131 H13C 109.484 no . . .
C133 C132 H132 118.560 no . . .
C137 C132 H132 118.547 no . . .
C132 C133 H133 118.056 no . . .
C134 C133 H133 118.069 no . . .
C133 C134 H134 124.014 no . . .
C135 C134 H134 124.009 no . . .
C134 C135 H135 115.476 no . . .
C136 C135 H135 115.463 no . . .
C135 C136 H136 123.005 no . . .
C137 C136 H136 123.005 no . . .
C137 C138 H13D 109.469 no . . .
C137 C138 H13E 109.476 no . . .
C137 C138 H13F 109.472 no . . .
H13D C138 H13E 109.481 no . . .
H13D C138 H13F 109.458 no . . .
H13E C138 H13F 109.471 no . . .
C140 C139 H139 120.863 no . . .
C144 C139 H139 120.855 no . . .
C139 C140 H140 119.585 no . . .
C141 C140 H140 119.582 no . . .
C140 C141 H141 116.974 no . . .
C142 C141 H141 116.964 no . . .
C141 C142 H142 122.993 no . . .
C143 C142 H142 123.008 no . . .
C142 C143 H143 118.687 no . . .
C144 C143 H143 118.677 no . . .
C144 C145 H14A 109.472 no . . .
C144 C145 H14B 109.476 no . . .
C144 C145 H14C 109.468 no . . .
H14A C145 H14B 109.466 no . . .
H14A C145 H14C 109.473 no . . .
H14B C145 H14C 109.472 no . . .
C147 C146 H146 118.224 no . . .
C151 C146 H146 118.238 no . . .
C146 C147 H147 124.450 no . . .
C148 C147 H147 124.459 no . . .
C147 C148 H148 115.476 no . . .
C149 C148 H148 115.474 no . . .
C148 C149 H149 120.714 no . . .
C150 C149 H149 120.699 no . . .
C149 C150 H150 120.805 no . . .
C151 C150 H150 120.814 no . . .
C151 C152 H15A 109.462 no . . .
C151 C152 H15B 109.463 no . . .
C151 C152 H15C 109.475 no . . .
H15A C152 H15B 109.468 no . . .
H15A C152 H15C 109.471 no . . .
H15B C152 H15C 109.487 no . . .
Cl1 C153 H15D 108.814 no . . .
Cl1 C153 H15E 108.821 no . . .
Cl2 C153 H15D 108.813 no . . .
Cl2 C153 H15E 108.811 no . . .
H15D C153 H15E 107.672 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Pd2 Pd1 C3 C2 -56.6(3) no . . . .
Pd2 Pd1 C3 C4 60.1(2) no . . . .
C3 Pd1 Pd2 C5 -33.88(18) no . . . .
C3 Pd1 Pd2 C6 -2.11(18) no . . . .
C3 Pd1 Pd2 C37 155.79(18) no . . . .
C3 Pd1 Pd2 C38 177.30(18) no . . . .
Pd2 Pd1 C4 C3 -113.6(2) no . . . .
Pd2 Pd1 C4 C5 3.3(3) no . . . .
C4 Pd1 Pd2 C5 -2.04(19) no . . . .
C4 Pd1 Pd2 C6 29.73(19) no . . . .
C4 Pd1 Pd2 C37 -172.37(19) no . . . .
C4 Pd1 Pd2 C38 -150.87(19) no . . . .
Pd2 Pd1 C39 C38 -27.4(3) no . . . .
Pd2 Pd1 C39 C40 -148.1(3) no . . . .
C39 Pd1 Pd2 C5 166.18(19) no . . . .
C39 Pd1 Pd2 C6 -162.04(19) no . . . .
C39 Pd1 Pd2 C37 -4.14(19) no . . . .
C39 Pd1 Pd2 C38 17.36(19) no . . . .
Pd2 Pd1 C40 C39 28.2(3) no . . . .
Pd2 Pd1 C40 C41 145.5(3) no . . . .
C40 Pd1 Pd2 C5 148.39(18) no . . . .
C40 Pd1 Pd2 C6 -179.84(18) no . . . .
C40 Pd1 Pd2 C37 -21.93(18) no . . . .
C40 Pd1 Pd2 C38 -0.43(18) no . . . .
C3 Pd1 C4 C3 0.0(3) no . . . .
C3 Pd1 C4 C5 116.9(6) no . . . .
C4 Pd1 C3 C2 -116.7(5) no . . . .
C4 Pd1 C3 C4 0.0(2) no . . . .
C3 Pd1 C39 C38 -63.4(6) no . . . .
C3 Pd1 C39 C40 175.9(3) no . . . .
C39 Pd1 C3 C2 -25.0(6) no . . . .
C39 Pd1 C3 C4 91.7(4) no . . . .
C3 Pd1 C51 C50 -152.9(4) no . . . .
C3 Pd1 C51 C52 88.8(3) no . . . .
C51 Pd1 C3 C2 106.5(4) no . . . .
C51 Pd1 C3 C4 -136.8(3) no . . . .
C3 Pd1 C52 C51 -94.5(3) no . . . .
C3 Pd1 C52 C53 27.3(5) no . . . .
C52 Pd1 C3 C2 141.7(3) no . . . .
C52 Pd1 C3 C4 -101.6(3) no . . . .
C4 Pd1 C39 C38 -12.3(6) no . . . .
C4 Pd1 C39 C40 -132.9(3) no . . . .
C39 Pd1 C4 C3 -127.8(3) no . . . .
C39 Pd1 C4 C5 -10.9(6) no . . . .
C4 Pd1 C40 C39 87.7(5) no . . . .
C4 Pd1 C40 C41 -154.9(3) no . . . .
C40 Pd1 C4 C3 -179.2(3) no . . . .
C40 Pd1 C4 C5 -62.3(6) no . . . .
C4 Pd1 C51 C50 180.0(3) no . . . .
C4 Pd1 C51 C52 61.7(4) no . . . .
C51 Pd1 C4 C3 52.0(4) no . . . .
C51 Pd1 C4 C5 168.9(4) no . . . .
C4 Pd1 C52 C51 -129.4(3) no . . . .
C4 Pd1 C52 C53 -7.6(5) no . . . .
C52 Pd1 C4 C3 83.0(3) no . . . .
C52 Pd1 C4 C5 -160.1(4) no . . . .
C39 Pd1 C40 C39 0.0(3) no . . . .
C39 Pd1 C40 C41 117.4(5) no . . . .
C40 Pd1 C39 C38 120.7(6) no . . . .
C40 Pd1 C39 C40 -0.0(3) no . . . .
C39 Pd1 C51 C50 -0.1(5) no . . . .
C39 Pd1 C51 C52 -118.4(3) no . . . .
C51 Pd1 C39 C38 167.9(4) no . . . .
C51 Pd1 C39 C40 47.2(3) no . . . .
C39 Pd1 C52 C51 76.6(4) no . . . .
C39 Pd1 C52 C53 -161.6(4) no . . . .
C52 Pd1 C39 C38 132.0(4) no . . . .
C52 Pd1 C39 C40 11.3(4) no . . . .
C40 Pd1 C51 C50 25.1(4) no . . . .
C40 Pd1 C51 C52 -93.1(3) no . . . .
C51 Pd1 C40 C39 -135.1(3) no . . . .
C51 Pd1 C40 C41 -17.7(3) no . . . .
C40 Pd1 C52 C51 83.1(3) no . . . .
C40 Pd1 C52 C53 -155.1(5) no . . . .
C52 Pd1 C40 C39 -170.2(3) no . . . .
C52 Pd1 C40 C41 -52.8(3) no . . . .
C51 Pd1 C52 C51 0.0(3) no . . . .
C51 Pd1 C52 C53 121.8(7) no . . . .
C52 Pd1 C51 C50 118.3(7) no . . . .
C52 Pd1 C51 C52 0.0(3) no . . . .
Pd1 Pd2 C5 C4 3.3(3) no . . . .
Pd1 Pd2 C5 C6 120.9(2) no . . . .
Pd1 Pd2 C6 C1 58.6(3) no . . . .
Pd1 Pd2 C6 C5 -58.6(2) no . . . .
Pd1 Pd2 C6 C7 178.8(3) no . . . .
Pd1 Pd2 C37 C36 160.0(3) no . . . .
Pd1 Pd2 C37 C38 36.5(3) no . . . .
Pd1 Pd2 C38 C37 -146.9(2) no . . . .
Pd1 Pd2 C38 C39 -26.1(2) no . . . .
Pd3 Pd2 C5 C4 -180.0(3) no . . . .
Pd3 Pd2 C5 C6 -62.4(2) no . . . .
C5 Pd2 Pd3 C7 38.50(18) no . . . .
C5 Pd2 Pd3 C8 11.04(18) no . . . .
C5 Pd2 Pd3 C35 172.27(18) no . . . .
C5 Pd2 Pd3 C36 -161.49(18) no . . . .
Pd3 Pd2 C6 C1 -127.8(3) no . . . .
Pd3 Pd2 C6 C5 115.1(2) no . . . .
Pd3 Pd2 C6 C7 -7.6(3) no . . . .
C6 Pd2 Pd3 C7 5.09(18) no . . . .
C6 Pd2 Pd3 C8 -22.38(18) no . . . .
C6 Pd2 Pd3 C35 138.86(18) no . . . .
C6 Pd2 Pd3 C36 165.10(18) no . . . .
Pd3 Pd2 C37 C36 -15.4(3) no . . . .
Pd3 Pd2 C37 C38 -138.9(2) no . . . .
C37 Pd2 Pd3 C7 -149.93(18) no . . . .
C37 Pd2 Pd3 C8 -177.40(18) no . . . .
C37 Pd2 Pd3 C35 -16.16(18) no . . . .
C37 Pd2 Pd3 C36 10.07(18) no . . . .
Pd3 Pd2 C38 C37 39.4(2) no . . . .
Pd3 Pd2 C38 C39 160.1(2) no . . . .
C38 Pd2 Pd3 C7 -174.08(17) no . . . .
C38 Pd2 Pd3 C8 158.45(17) no . . . .
C38 Pd2 Pd3 C35 -40.31(18) no . . . .
C38 Pd2 Pd3 C36 -14.07(17) no . . . .
C5 Pd2 C6 C1 117.2(5) no . . . .
C5 Pd2 C6 C5 -0.0(2) no . . . .
C5 Pd2 C6 C7 -122.6(5) no . . . .
C6 Pd2 C5 C4 -117.6(5) no . . . .
C6 Pd2 C5 C6 -0.0(3) no . . . .
C5 Pd2 C38 C37 152.6(3) no . . . .
C5 Pd2 C38 C39 -86.7(4) no . . . .
C38 Pd2 C5 C4 64.9(5) no . . . .
C38 Pd2 C5 C6 -177.5(3) no . . . .
C6 Pd2 C37 C36 -55.4(5) no . . . .
C6 Pd2 C37 C38 -179.0(3) no . . . .
C37 Pd2 C6 C1 -89.0(4) no . . . .
C37 Pd2 C6 C5 153.8(3) no . . . .
C37 Pd2 C6 C7 31.2(5) no . . . .
C37 Pd2 C38 C37 -0.0(2) no . . . .
C37 Pd2 C38 C39 120.8(5) no . . . .
C38 Pd2 C37 C36 123.5(5) no . . . .
C38 Pd2 C37 C38 -0.0(3) no . . . .
Pd2 Pd3 C7 C6 -8.1(3) no . . . .
Pd2 Pd3 C7 C8 -132.0(2) no . . . .
Pd2 Pd3 C8 C7 45.7(2) no . . . .
Pd2 Pd3 C8 C9 166.0(3) no . . . .
Pd2 Pd3 C35 C34 168.2(3) no . . . .
Pd2 Pd3 C35 C36 48.5(3) no . . . .
Pd2 Pd3 C36 C31 109.1(2) no . . . .
Pd2 Pd3 C36 C35 -131.4(3) no . . . .
Pd2 Pd3 C36 C37 -14.5(2) no . . . .
Pd4 Pd3 C7 C6 157.5(2) no . . . .
Pd4 Pd3 C7 C8 33.5(3) no . . . .
C7 Pd3 Pd4 C9 -0.38(18) no . . . .
C7 Pd3 Pd4 C10 -16.22(18) no . . . .
C7 Pd3 Pd4 C22 -102.99(19) no . . . .
C7 Pd3 Pd4 C33 163.29(18) no . . . .
Pd4 Pd3 C8 C7 -149.6(2) no . . . .
Pd4 Pd3 C8 C9 -29.3(3) no . . . .
C8 Pd3 Pd4 C9 19.6(2) no . . . .
C8 Pd3 Pd4 C10 3.8(2) no . . . .
C8 Pd3 Pd4 C22 -83.0(2) no . . . .
C8 Pd3 Pd4 C33 -176.7(2) no . . . .
Pd4 Pd3 C35 C34 2.8(3) no . . . .
Pd4 Pd3 C35 C36 -116.9(2) no . . . .
C35 Pd3 Pd4 C9 -137.02(18) no . . . .
C35 Pd3 Pd4 C10 -152.86(18) no . . . .
C35 Pd3 Pd4 C22 120.37(19) no . . . .
C35 Pd3 Pd4 C33 26.64(18) no . . . .
Pd4 Pd3 C36 C31 -55.8(2) no . . . .
Pd4 Pd3 C36 C35 63.7(2) no . . . .
Pd4 Pd3 C36 C37 -179.4(2) no . . . .
C36 Pd3 Pd4 C9 -168.45(17) no . . . .
C36 Pd3 Pd4 C10 175.71(17) no . . . .
C36 Pd3 Pd4 C22 88.94(17) no . . . .
C36 Pd3 Pd4 C33 -4.78(17) no . . . .
C7 Pd3 C8 C7 0.0(3) no . . . .
C7 Pd3 C8 C9 120.3(5) no . . . .
C8 Pd3 C7 C6 124.0(6) no . . . .
C8 Pd3 C7 C8 0.0(3) no . . . .
C7 Pd3 C35 C34 -115.3(4) no . . . .
C7 Pd3 C35 C36 125.0(3) no . . . .
C35 Pd3 C7 C6 -97.0(4) no . . . .
C35 Pd3 C7 C8 139.0(2) no . . . .
C7 Pd3 C36 C31 142.9(3) no . . . .
C7 Pd3 C36 C35 -97.5(4) no . . . .
C7 Pd3 C36 C37 19.4(6) no . . . .
C36 Pd3 C7 C6 -43.0(6) no . . . .
C36 Pd3 C7 C8 -167.0(3) no . . . .
C8 Pd3 C35 C34 -55.1(8) no . . . .
C8 Pd3 C35 C36 -174.8(4) no . . . .
C35 Pd3 C8 C7 -91.5(5) no . . . .
C35 Pd3 C8 C9 28.8(8) no . . . .
C35 Pd3 C36 C31 -119.5(5) no . . . .
C35 Pd3 C36 C35 -0.0(3) no . . . .
C35 Pd3 C36 C37 116.9(5) no . . . .
C36 Pd3 C35 C34 119.7(6) no . . . .
C36 Pd3 C35 C36 -0.0(3) no . . . .
Pd3 Pd4 C9 C8 -30.9(2) no . . . .
Pd3 Pd4 C9 C10 -151.5(3) no . . . .
Pd3 Pd4 C10 C9 25.2(3) no . . . .
Pd3 Pd4 C10 C11 144.3(3) no . . . .
Pd3 Pd4 C22 C21 170.62(16) no . . . .
Pd3 Pd4 C22 C23 -67.8(6) no . . . .
Pd3 Pd4 C33 C32 63.5(3) no . . . .
Pd3 Pd4 C33 C34 -56.0(2) no . . . .
C9 Pd4 C10 C9 0.0(3) no . . . .
C9 Pd4 C10 C11 119.2(6) no . . . .
C10 Pd4 C9 C8 120.7(6) no . . . .
C10 Pd4 C9 C10 0.0(3) no . . . .
C9 Pd4 C21 C20 7.3(4) no . . . .
C9 Pd4 C21 C22 -114.4(3) no . . . .
C21 Pd4 C9 C8 158.4(3) no . . . .
C21 Pd4 C9 C10 37.7(3) no . . . .
C9 Pd4 C22 C21 81.5(3) no . . . .
C9 Pd4 C22 C23 -156.9(3) no . . . .
C22 Pd4 C9 C8 121.2(3) no . . . .
C22 Pd4 C9 C10 0.6(4) no . . . .
C9 Pd4 C33 C32 89.1(5) no . . . .
C9 Pd4 C33 C34 -30.4(5) no . . . .
C33 Pd4 C9 C8 -59.8(6) no . . . .
C33 Pd4 C9 C10 179.5(3) no . . . .
C10 Pd4 C21 C20 28.0(4) no . . . .
C10 Pd4 C21 C22 -93.7(3) no . . . .
C21 Pd4 C10 C9 -144.2(4) no . . . .
C21 Pd4 C10 C11 -25.1(4) no . . . .
C10 Pd4 C22 C21 81.9(3) no . . . .
C10 Pd4 C22 C23 -156.6(4) no . . . .
C22 Pd4 C10 C9 -179.5(3) no . . . .
C22 Pd4 C10 C11 -60.3(4) no . . . .
C21 Pd4 C22 C21 0.0(3) no . . . .
C21 Pd4 C22 C23 121.6(6) no . . . .
C22 Pd4 C21 C20 121.7(5) no . . . .
C22 Pd4 C21 C22 -0.0(3) no . . . .
C21 Pd4 C33 C32 -127.1(3) no . . . .
C21 Pd4 C33 C34 113.4(3) no . . . .
C33 Pd4 C21 C20 -151.5(3) no . . . .
C33 Pd4 C21 C22 86.8(3) no . . . .
C22 Pd4 C33 C32 -91.8(3) no . . . .
C22 Pd4 C33 C34 148.7(3) no . . . .
C33 Pd4 C22 C21 -97.9(3) no . . . .
C33 Pd4 C22 C23 23.7(4) no . . . .
C2 C1 C6 Pd2 -77.5(6) no . . . .
C2 C1 C6 C5 -3.2(9) no . . . .
C2 C1 C6 C7 177.6(5) no . . . .
C6 C1 C2 C3 -1.2(10) no . . . .
C1 C2 C3 Pd1 85.3(6) no . . . .
C1 C2 C3 C4 3.4(9) no . . . .
Pd1 C3 C4 Pd1 0.000(11) no . . . .
Pd1 C3 C4 C5 -96.9(5) no . . . .
C2 C3 C4 Pd1 95.9(6) no . . . .
C2 C3 C4 C5 -1.0(9) no . . . .
Pd1 C4 C5 Pd2 -3.8(5) no . . . .
Pd1 C4 C5 C6 -76.5(6) no . . . .
C3 C4 C5 Pd2 69.3(7) no . . . .
C3 C4 C5 C6 -3.4(9) no . . . .
Pd2 C5 C6 Pd2 0.000(13) no . . . .
Pd2 C5 C6 C1 -87.2(4) no . . . .
Pd2 C5 C6 C7 92.0(5) no . . . .
C4 C5 C6 Pd2 92.6(5) no . . . .
C4 C5 C6 C1 5.5(8) no . . . .
C4 C5 C6 C7 -175.4(5) no . . . .
Pd2 C6 C7 Pd3 9.2(4) no . . . .
Pd2 C6 C7 C8 85.6(6) no . . . .
C1 C6 C7 Pd3 110.9(6) no . . . .
C1 C6 C7 C8 -172.7(5) no . . . .
C5 C6 C7 Pd3 -68.3(6) no . . . .
C5 C6 C7 C8 8.1(10) no . . . .
Pd3 C7 C8 Pd3 0.000(12) no . . . .
Pd3 C7 C8 C9 -83.5(5) no . . . .
C6 C7 C8 Pd3 -97.5(7) no . . . .
C6 C7 C8 C9 179.0(6) no . . . .
Pd3 C8 C9 Pd4 34.5(4) no . . . .
Pd3 C8 C9 C10 106.1(5) no . . . .
C7 C8 C9 Pd4 107.6(6) no . . . .
C7 C8 C9 C10 179.1(5) no . . . .
Pd4 C9 C10 Pd4 0.000(12) no . . . .
Pd4 C9 C10 C11 -102.3(5) no . . . .
C8 C9 C10 Pd4 -95.6(6) no . . . .
C8 C9 C10 C11 162.1(6) no . . . .
Pd4 C10 C11 C12 -159.5(4) no . . . .
Pd4 C10 C11 C20 19.0(7) no . . . .
C9 C10 C11 C12 -71.6(8) no . . . .
C9 C10 C11 C20 106.9(7) no . . . .
C10 C11 C12 C13 179.1(5) no . . . .
C10 C11 C20 C19 -174.3(5) no . . . .
C10 C11 C20 C21 6.5(9) no . . . .
C12 C11 C20 C19 4.2(9) no . . . .
C12 C11 C20 C21 -175.0(5) no . . . .
C20 C11 C12 C13 0.5(9) no . . . .
C11 C12 C13 C14 176.6(5) no . . . .
C11 C12 C13 C18 -4.2(10) no . . . .
C12 C13 C14 C15 178.0(6) no . . . .
C12 C13 C18 C17 -177.5(6) no . . . .
C12 C13 C18 C19 3.2(10) no . . . .
C14 C13 C18 C17 1.7(10) no . . . .
C14 C13 C18 C19 -177.6(6) no . . . .
C18 C13 C14 C15 -1.3(10) no . . . .
C13 C14 C15 C16 0.8(11) no . . . .
C14 C15 C16 C17 -0.8(12) no . . . .
C15 C16 C17 C18 1.2(12) no . . . .
C16 C17 C18 C13 -1.7(11) no . . . .
C16 C17 C18 C19 177.6(7) no . . . .
C13 C18 C19 C20 1.5(10) no . . . .
C17 C18 C19 C20 -177.8(6) no . . . .
C18 C19 C20 C11 -5.2(10) no . . . .
C18 C19 C20 C21 173.9(6) no . . . .
C11 C20 C21 Pd4 -26.9(7) no . . . .
C11 C20 C21 C22 53.1(9) no . . . .
C19 C20 C21 Pd4 153.9(5) no . . . .
C19 C20 C21 C22 -126.1(7) no . . . .
Pd4 C21 C22 Pd4 -0.000(11) no . . . .
Pd4 C21 C22 C23 -102.4(5) no . . . .
C20 C21 C22 Pd4 -95.8(6) no . . . .
C20 C21 C22 C23 161.8(5) no . . . .
Pd4 C22 C23 C24 103.8(6) no . . . .
C21 C22 C23 C24 -175.8(6) no . . . .
C22 C23 C24 C25 179.2(5) no . . . .
C23 C24 C25 C26 176.5(6) no . . . .
C23 C24 C25 C30 -2.6(12) no . . . .
C24 C25 C26 C27 174.0(8) no . . . .
C24 C25 C30 C29 -179.0(7) no . . . .
C26 C25 C30 C29 1.9(14) no . . . .
C30 C25 C26 C27 -6.9(14) no . . . .
C25 C26 C27 C28 10(2) no . . . .
C26 C27 C28 C29 -7(2) no . . . .
C27 C28 C29 C30 3(2) no . . . .
C28 C29 C30 C25 0(2) no . . . .
C32 C31 C36 Pd3 84.8(6) no . . . .
C32 C31 C36 C35 6.2(9) no . . . .
C32 C31 C36 C37 -177.0(5) no . . . .
C36 C31 C32 C33 -4.4(10) no . . . .
C31 C32 C33 Pd4 -91.4(7) no . . . .
C31 C32 C33 C34 -0.4(10) no . . . .
Pd4 C33 C34 C35 93.9(5) no . . . .
C32 C33 C34 C35 3.3(10) no . . . .
C33 C34 C35 Pd3 -65.2(7) no . . . .
C33 C34 C35 C36 -1.3(10) no . . . .
Pd3 C35 C36 Pd3 -0.000(14) no . . . .
Pd3 C35 C36 C31 81.3(4) no . . . .
Pd3 C35 C36 C37 -95.7(5) no . . . .
C34 C35 C36 Pd3 -84.7(6) no . . . .
C34 C35 C36 C31 -3.4(9) no . . . .
C34 C35 C36 C37 179.6(5) no . . . .
Pd3 C36 C37 Pd2 17.6(4) no . . . .
Pd3 C36 C37 C38 92.8(6) no . . . .
C31 C36 C37 Pd2 -73.9(7) no . . . .
C31 C36 C37 C38 1.3(9) no . . . .
C35 C36 C37 Pd2 102.9(5) no . . . .
C35 C36 C37 C38 178.1(5) no . . . .
Pd2 C37 C38 Pd2 -0.000(15) no . . . .
Pd2 C37 C38 C39 -85.0(5) no . . . .
C36 C37 C38 Pd2 -96.3(6) no . . . .
C36 C37 C38 C39 178.7(5) no . . . .
Pd2 C38 C39 Pd1 30.8(4) no . . . .
Pd2 C38 C39 C40 102.6(5) no . . . .
C37 C38 C39 Pd1 105.1(6) no . . . .
C37 C38 C39 C40 177.0(5) no . . . .
Pd1 C39 C40 Pd1 -0.000(14) no . . . .
Pd1 C39 C40 C41 -103.7(6) no . . . .
C38 C39 C40 Pd1 -96.4(6) no . . . .
C38 C39 C40 C41 159.9(5) no . . . .
Pd1 C40 C41 C42 -167.8(4) no . . . .
Pd1 C40 C41 C50 6.3(7) no . . . .
C39 C40 C41 C42 -79.9(8) no . . . .
C39 C40 C41 C50 94.3(7) no . . . .
C40 C41 C42 C43 169.6(5) no . . . .
C40 C41 C50 C49 -168.3(5) no . . . .
C40 C41 C50 C51 18.2(9) no . . . .
C42 C41 C50 C49 6.0(9) no . . . .
C42 C41 C50 C51 -167.5(5) no . . . .
C50 C41 C42 C43 -4.6(9) no . . . .
C41 C42 C43 C44 -176.9(6) no . . . .
C41 C42 C43 C48 -0.8(10) no . . . .
C42 C43 C44 C45 176.4(6) no . . . .
C42 C43 C48 C47 -177.1(6) no . . . .
C42 C43 C48 C49 4.7(10) no . . . .
C44 C43 C48 C47 -0.8(10) no . . . .
C44 C43 C48 C49 -178.9(6) no . . . .
C48 C43 C44 C45 0.2(10) no . . . .
C43 C44 C45 C46 -0.5(11) no . . . .
C44 C45 C46 C47 1.4(13) no . . . .
C45 C46 C47 C48 -2.0(13) no . . . .
C46 C47 C48 C43 1.7(12) no . . . .
C46 C47 C48 C49 179.8(7) no . . . .
C43 C48 C49 C50 -3.4(11) no . . . .
C47 C48 C49 C50 178.5(7) no . . . .
C48 C49 C50 C41 -1.9(11) no . . . .
C48 C49 C50 C51 171.5(6) no . . . .
C41 C50 C51 Pd1 -30.4(7) no . . . .
C41 C50 C51 C52 48.7(8) no . . . .
C49 C50 C51 Pd1 156.1(6) no . . . .
C49 C50 C51 C52 -124.8(7) no . . . .
Pd1 C51 C52 Pd1 0.000(12) no . . . .
Pd1 C51 C52 C53 -101.8(5) no . . . .
C50 C51 C52 Pd1 -95.7(6) no . . . .
C50 C51 C52 C53 162.5(5) no . . . .
Pd1 C52 C53 C54 108.1(5) no . . . .
C51 C52 C53 C54 -171.6(6) no . . . .
C52 C53 C54 C55 -179.3(5) no . . . .
C53 C54 C55 C56 -179.7(6) no . . . .
C53 C54 C55 C60 1.3(11) no . . . .
C54 C55 C56 C57 -178.9(6) no . . . .
C54 C55 C60 C59 177.8(6) no . . . .
C56 C55 C60 C59 -1.2(11) no . . . .
C60 C55 C56 C57 0.1(11) no . . . .
C55 C56 C57 C58 1.3(13) no . . . .
C56 C57 C58 C59 -1.6(12) no . . . .
C57 C58 C59 C60 0.6(14) no . . . .
C58 C59 C60 C55 0.8(14) no . . . .
C62 C61 C66 C65 -1.9(9) no . . . .
C66 C61 C62 C63 2.3(9) no . . . .
C62 C61 B1 C69 28.8(8) no . . . .
C62 C61 B1 C77 144.3(5) no . . . .
C62 C61 B1 C85 -91.3(6) no . . . .
B1 C61 C62 C63 177.6(5) no . . . .
C66 C61 B1 C69 -156.1(5) no . . . .
C66 C61 B1 C77 -40.6(8) no . . . .
C66 C61 B1 C85 83.7(6) no . . . .
B1 C61 C66 C65 -177.3(5) no . . . .
C61 C62 C63 C64 -1.7(10) no . . . .
C61 C62 C63 C67 176.2(5) no . . . .
C62 C63 C64 C65 0.5(9) no . . . .
C62 C63 C67 F1 -65.2(9) no . . . .
C62 C63 C67 F2 53.9(8) no . . . .
C62 C63 C67 F3 173.1(6) no . . . .
C64 C63 C67 F1 112.8(6) no . . . .
C64 C63 C67 F2 -128.2(6) no . . . .
C64 C63 C67 F3 -9.0(9) no . . . .
C67 C63 C64 C65 -177.4(5) no . . . .
C63 C64 C65 C66 -0.0(9) no . . . .
C63 C64 C65 C68 -179.6(5) no . . . .
C64 C65 C66 C61 0.8(10) no . . . .
C64 C65 C68 F4 89.4(8) no . . . .
C64 C65 C68 F5 -38.5(8) no . . . .
C64 C65 C68 F6 -155.0(6) no . . . .
C66 C65 C68 F4 -90.2(7) no . . . .
C66 C65 C68 F5 141.9(6) no . . . .
C66 C65 C68 F6 25.4(9) no . . . .
C68 C65 C66 C61 -179.6(5) no . . . .
C70 C69 C74 C73 -1.1(9) no . . . .
C74 C69 C70 C71 2.8(8) no . . . .
C70 C69 B1 C61 38.0(7) no . . . .
C70 C69 B1 C77 -83.3(6) no . . . .
C70 C69 B1 C85 155.3(5) no . . . .
B1 C69 C70 C71 175.3(5) no . . . .
C74 C69 B1 C61 -149.8(5) no . . . .
C74 C69 B1 C77 88.8(6) no . . . .
C74 C69 B1 C85 -32.5(7) no . . . .
B1 C69 C74 C73 -173.8(5) no . . . .
C69 C70 C71 C72 -2.8(10) no . . . .
C69 C70 C71 C75 178.3(5) no . . . .
C70 C71 C72 C73 0.9(11) no . . . .
C70 C71 C75 F7 66.0(10) no . . . .
C70 C71 C75 F8 -50.4(10) no . . . .
C70 C71 C75 F9 -176.7(7) no . . . .
C72 C71 C75 F7 -113.0(8) no . . . .
C72 C71 C75 F8 130.7(8) no . . . .
C72 C71 C75 F9 4.3(12) no . . . .
C75 C71 C72 C73 179.8(7) no . . . .
C71 C72 C73 C74 0.7(11) no . . . .
C71 C72 C73 C76 179.2(6) no . . . .
C72 C73 C74 C69 -0.7(11) no . . . .
C72 C73 C76 F10 -12.0(12) no . . . .
C72 C73 C76 F11 107.6(8) no . . . .
C72 C73 C76 F12 -140.9(7) no . . . .
C74 C73 C76 F10 166.5(7) no . . . .
C74 C73 C76 F11 -74.0(9) no . . . .
C74 C73 C76 F12 37.6(11) no . . . .
C76 C73 C74 C69 -179.1(6) no . . . .
C78 C77 C82 C81 0.1(8) no . . . .
C82 C77 C78 C79 0.6(8) no . . . .
C78 C77 B1 C61 157.3(5) no . . . .
C78 C77 B1 C69 -81.1(6) no . . . .
C78 C77 B1 C85 37.8(6) no . . . .
B1 C77 C78 C79 172.1(4) no . . . .
C82 C77 B1 C61 -32.0(7) no . . . .
C82 C77 B1 C69 89.6(6) no . . . .
C82 C77 B1 C85 -151.5(5) no . . . .
B1 C77 C82 C81 -171.1(4) no . . . .
C77 C78 C79 C80 -0.4(9) no . . . .
C77 C78 C79 C83 -179.6(5) no . . . .
C78 C79 C80 C81 -0.6(9) no . . . .
C78 C79 C83 F13 70.9(8) no . . . .
C78 C79 C83 F14 -45.5(8) no . . . .
C78 C79 C83 F15 -166.3(6) no . . . .
C80 C79 C83 F13 -108.3(7) no . . . .
C80 C79 C83 F14 135.3(6) no . . . .
C80 C79 C83 F15 14.5(10) no . . . .
C83 C79 C80 C81 178.6(5) no . . . .
C79 C80 C81 C82 1.3(9) no . . . .
C79 C80 C81 C84 179.8(5) no . . . .
C80 C81 C82 C77 -1.1(9) no . . . .
C80 C81 C84 F16 53.4(8) no . . . .
C80 C81 C84 F17 -178.1(5) no . . . .
C80 C81 C84 F18 -60.9(8) no . . . .
C82 C81 C84 F16 -128.0(6) no . . . .
C82 C81 C84 F17 0.5(9) no . . . .
C82 C81 C84 F18 117.7(7) no . . . .
C84 C81 C82 C77 -179.6(5) no . . . .
C86 C85 C90 C89 1.8(8) no . . . .
C90 C85 C86 C87 -2.5(8) no . . . .
C86 C85 B1 C61 81.9(5) no . . . .
C86 C85 B1 C69 -40.0(7) no . . . .
C86 C85 B1 C77 -154.5(5) no . . . .
B1 C85 C86 C87 178.3(4) no . . . .
C90 C85 B1 C61 -97.2(6) no . . . .
C90 C85 B1 C69 140.9(5) no . . . .
C90 C85 B1 C77 26.4(7) no . . . .
B1 C85 C90 C89 -179.0(4) no . . . .
C85 C86 C87 C88 2.1(9) no . . . .
C85 C86 C87 C91 -172.6(5) no . . . .
C86 C87 C88 C89 -0.8(9) no . . . .
C86 C87 C91 F19 -11.0(8) no . . . .
C86 C87 C91 F20 -129.9(6) no . . . .
C86 C87 C91 F21 111.8(7) no . . . .
C88 C87 C91 F19 174.2(5) no . . . .
C88 C87 C91 F20 55.3(9) no . . . .
C88 C87 C91 F21 -63.0(7) no . . . .
C91 C87 C88 C89 174.0(5) no . . . .
C87 C88 C89 C90 0.1(9) no . . . .
C87 C88 C89 C92 -176.2(5) no . . . .
C88 C89 C90 C85 -0.7(10) no . . . .
C88 C89 C92 F23A 130.5(6) no . . . .
C88 C89 C92 F23B 82.9(9) no . . . .
C88 C89 C92 F22A 24.1(11) no . . . .
C88 C89 C92 F22B -34.4(8) no . . . .
C88 C89 C92 F24B -143.5(7) no . . . .
C88 C89 C92 F24A -126.1(8) no . . . .
C90 C89 C92 F23A -46.0(8) no . . . .
C90 C89 C92 F23B -93.6(9) no . . . .
C90 C89 C92 F22A -152.4(7) no . . . .
C90 C89 C92 F22B 149.2(6) no . . . .
C90 C89 C92 F24B 40.1(9) no . . . .
C90 C89 C92 F24A 57.4(10) no . . . .
C92 C89 C90 C85 175.5(5) no . . . .
C89 C92 F23A F23B -106.3(8) no . . . .
C89 C92 F23B F23A 92.1(10) no . . . .
C89 C92 F23B F22A -110.7(9) no . . . .
C89 C92 F22A F23B 98.5(12) no . . . .
C89 C92 F22A F22B -91.1(11) no . . . .
C89 C92 F22B F22A 115.0(7) no . . . .
C89 C92 F24B F24A 126(3) no . . . .
C89 C92 F24A F24B -61(4) no . . . .
F23A C92 F23B F23A 0.0(6) no . . . .
F23A C92 F23B F22A 157.2(12) no . . . .
F23B C92 F23A F23B 0.0(8) no . . . .
F23A C92 F22A F23B -15.8(9) no . . . .
F23A C92 F22A F22B 154.6(9) no . . . .
F22A C92 F23A F23B 17.8(10) no . . . .
F23A C92 F22B F22A -42.2(13) no . . . .
F22B C92 F23A F23B 50.8(14) no . . . .
F23A C92 F24B F24A -127(3) no . . . .
F24B C92 F23A F23B 146.5(12) no . . . .
F23A C92 F24A F24B 52(4) no . . . .
F24A C92 F23A F23B 131.7(13) no . . . .
F23B C92 F22A F23B -0.0(8) no . . . .
F23B C92 F22A F22B 170.3(17) no . . . .
F22A C92 F23B F23A -157.2(16) no . . . .
F22A C92 F23B F22A 0.0(12) no . . . .
F23B C92 F22B F22A -7.9(9) no . . . .
F22B C92 F23B F23A -149.1(8) no . . . .
F22B C92 F23B F22A 8.1(9) no . . . .
F23B C92 F24B F24A -102(3) no . . . .
F24B C92 F23B F23A -37.7(14) no . . . .
F24B C92 F23B F22A 119.5(13) no . . . .
F23B C92 F24A F24B 89(4) no . . . .
F24A C92 F23B F23A -58.9(16) no . . . .
F24A C92 F23B F22A 98.3(16) no . . . .
F22A C92 F22B F22A 0.0(12) no . . . .
F22B C92 F22A F23B -170.3(16) no . . . .
F22B C92 F22A F22B 0.0(5) no . . . .
F22A C92 F24B F24A -40(4) no . . . .
F24B C92 F22A F23B -96.6(19) no . . . .
F24B C92 F22A F22B 74(2) no . . . .
F22A C92 F24A F24B 147(3) no . . . .
F24A C92 F22A F23B -109.7(17) no . . . .
F24A C92 F22A F22B 60.6(18) no . . . .
F22B C92 F24B F24A 12(3) no . . . .
F24B C92 F22B F22A -130.4(13) no . . . .
F22B C92 F24A F24B -168(4) no . . . .
F24A C92 F22B F22A -126.4(14) no . . . .
C94 C93 C98 C97 -1.2(9) no . . . .
C98 C93 C94 C95 -0.3(9) no . . . .
C94 C93 B2 C101 -89.3(7) no . . . .
C94 C93 B2 C109 151.2(6) no . . . .
C94 C93 B2 C117 32.1(9) no . . . .
B2 C93 C94 C95 171.8(5) no . . . .
C98 C93 B2 C101 82.5(6) no . . . .
C98 C93 B2 C109 -37.0(8) no . . . .
C98 C93 B2 C117 -156.2(5) no . . . .
B2 C93 C98 C97 -173.7(5) no . . . .
C93 C94 C95 C96 1.3(10) no . . . .
C93 C94 C95 C99 -179.2(6) no . . . .
C94 C95 C96 C97 -0.7(10) no . . . .
C94 C95 C99 F25 -101.3(8) no . . . .
C94 C95 C99 F26 23.1(10) no . . . .
C94 C95 C99 F27 140.7(7) no . . . .
C96 C95 C99 F25 78.2(8) no . . . .
C96 C95 C99 F26 -157.4(6) no . . . .
C96 C95 C99 F27 -39.8(9) no . . . .
C99 C95 C96 C97 179.8(6) no . . . .
C95 C96 C97 C98 -0.8(10) no . . . .
C95 C96 C97 C100 179.3(6) no . . . .
C96 C97 C98 C93 1.8(11) no . . . .
C96 C97 C100 F28 -9.1(10) no . . . .
C96 C97 C100 F29 109.5(8) no . . . .
C96 C97 C100 F30 -129.8(7) no . . . .
C98 C97 C100 F28 171.0(6) no . . . .
C98 C97 C100 F29 -70.4(8) no . . . .
C98 C97 C100 F30 50.3(10) no . . . .
C100 C97 C98 C93 -178.3(6) no . . . .
C102 C101 C106 C105 1.7(9) no . . . .
C106 C101 C102 C103 -2.0(8) no . . . .
C102 C101 B2 C93 89.0(6) no . . . .
C102 C101 B2 C109 -149.8(5) no . . . .
C102 C101 B2 C117 -32.3(8) no . . . .
B2 C101 C102 C103 -177.5(5) no . . . .
C106 C101 B2 C93 -86.4(6) no . . . .
C106 C101 B2 C109 34.9(7) no . . . .
C106 C101 B2 C117 152.4(5) no . . . .
B2 C101 C106 C105 177.5(5) no . . . .
C101 C102 C103 C104 1.8(9) no . . . .
C101 C102 C103 C107 -173.3(5) no . . . .
C102 C103 C104 C105 -1.1(10) no . . . .
C102 C103 C107 F31 79.4(8) no . . . .
C102 C103 C107 F32 -39.4(8) no . . . .
C102 C103 C107 F33 -161.1(5) no . . . .
C104 C103 C107 F31 -95.8(7) no . . . .
C104 C103 C107 F32 145.4(6) no . . . .
C104 C103 C107 F33 23.8(9) no . . . .
C107 C103 C104 C105 173.9(5) no . . . .
C103 C104 C105 C106 0.8(10) no . . . .
C103 C104 C105 C108 -174.9(6) no . . . .
C104 C105 C106 C101 -1.2(10) no . . . .
C104 C105 C108 F34 79.6(9) no . . . .
C104 C105 C108 F35 -159.6(7) no . . . .
C104 C105 C108 F36 -39.6(12) no . . . .
C106 C105 C108 F34 -96.3(10) no . . . .
C106 C105 C108 F35 24.5(10) no . . . .
C106 C105 C108 F36 144.6(8) no . . . .
C108 C105 C106 C101 174.6(6) no . . . .
C110 C109 C114 C113 3.1(9) no . . . .
C114 C109 C110 C111 -4.3(10) no . . . .
C110 C109 B2 C93 -33.0(8) no . . . .
C110 C109 B2 C101 -147.8(6) no . . . .
C110 C109 B2 C117 90.2(7) no . . . .
B2 C109 C110 C111 -179.4(5) no . . . .
C114 C109 B2 C93 152.2(6) no . . . .
C114 C109 B2 C101 37.4(8) no . . . .
C114 C109 B2 C117 -84.6(7) no . . . .
B2 C109 C114 C113 178.1(5) no . . . .
C109 C110 C111 C112 3.4(12) no . . . .
C109 C110 C111 C115 -176.0(6) no . . . .
C110 C111 C112 C113 -0.9(13) no . . . .
C110 C111 C115 F37 -26.4(13) no . . . .
C110 C111 C115 F38 90.0(9) no . . . .
C110 C111 C115 F39 -152.9(8) no . . . .
C112 C111 C115 F37 154.3(8) no . . . .
C112 C111 C115 F38 -89.3(10) no . . . .
C112 C111 C115 F39 27.8(14) no . . . .
C115 C111 C112 C113 178.4(8) no . . . .
C111 C112 C113 C114 -0.3(13) no . . . .
C111 C112 C113 C116 -177.7(7) no . . . .
C112 C113 C114 C109 -0.9(13) no . . . .
C112 C113 C116 F40 -10.4(16) no . . . .
C112 C113 C116 F41 -131.0(9) no . . . .
C112 C113 C116 F42 113.0(10) no . . . .
C114 C113 C116 F40 172.1(9) no . . . .
C114 C113 C116 F41 51.5(13) no . . . .
C114 C113 C116 F42 -64.5(12) no . . . .
C116 C113 C114 C109 176.6(8) no . . . .
C118 C117 C122 C121 -2.0(8) no . . . .
C122 C117 C118 C119 0.0(8) no . . . .
C118 C117 B2 C93 41.8(7) no . . . .
C118 C117 B2 C101 157.4(5) no . . . .
C118 C117 B2 C109 -81.9(6) no . . . .
B2 C117 C118 C119 172.9(4) no . . . .
C122 C117 B2 C93 -145.8(5) no . . . .
C122 C117 B2 C101 -30.2(7) no . . . .
C122 C117 B2 C109 90.5(6) no . . . .
B2 C117 C122 C121 -174.8(4) no . . . .
C117 C118 C119 C120 2.1(9) no . . . .
C117 C118 C119 C123 -177.9(5) no . . . .
C118 C119 C120 C121 -2.2(9) no . . . .
C118 C119 C123 F44A -65.2(9) no . . . .
C118 C119 C123 F44B -105.2(8) no . . . .
C118 C119 C123 F43B 17.8(9) no . . . .
C118 C119 C123 F43A 53.8(9) no . . . .
C118 C119 C123 F45A 176.2(5) no . . . .
C118 C119 C123 F45B 135.6(7) no . . . .
C120 C119 C123 F44A 114.8(8) no . . . .
C120 C119 C123 F44B 74.8(9) no . . . .
C120 C119 C123 F43B -162.2(6) no . . . .
C120 C119 C123 F43A -126.2(7) no . . . .
C120 C119 C123 F45A -3.8(9) no . . . .
C120 C119 C123 F45B -44.4(10) no . . . .
C123 C119 C120 C121 177.8(6) no . . . .
C119 C120 C121 C122 0.3(10) no . . . .
C119 C120 C121 C124 179.7(5) no . . . .
C120 C121 C122 C117 1.9(9) no . . . .
C120 C121 C124 F46 -3.5(11) no . . . .
C120 C121 C124 F47 -125.9(8) no . . . .
C120 C121 C124 F48 118.4(8) no . . . .
C122 C121 C124 F46 176.0(6) no . . . .
C122 C121 C124 F47 53.6(9) no . . . .
C122 C121 C124 F48 -62.2(9) no . . . .
C124 C121 C122 C117 -177.6(6) no . . . .
C119 C123 F44A F44B -107(2) no . . . .
C119 C123 F44A F43B 111.9(10) no . . . .
C119 C123 F44B F44A 90(2) no . . . .
C119 C123 F44B F45A -103.6(11) no . . . .
C119 C123 F43B F44A -106.7(11) no . . . .
C119 C123 F43B F43A 92(3) no . . . .
C119 C123 F43A F43B -103.0(15) no . . . .
C119 C123 F43A F45B 109.2(9) no . . . .
C119 C123 F45A F44B 112.6(9) no . . . .
C119 C123 F45A F45B -102.3(17) no . . . .
C119 C123 F45B F43A -107.7(8) no . . . .
C119 C123 F45B F45A 93.3(13) no . . . .
F44A C123 F44B F44A -0(3) no . . . .
F44A C123 F44B F45A 167(4) no . . . .
F44B C123 F44A F44B -0(2) no . . . .
F44B C123 F44A F43B -141(3) no . . . .
F44A C123 F43B F44A -0.0(15) no . . . .
F44A C123 F43B F43A -161(3) no . . . .
F43B C123 F44A F44B 141(3) no . . . .
F43B C123 F44A F43B -0.0(17) no . . . .
F44A C123 F43A F43B 19(2) no . . . .
F44A C123 F43A F45B -129.1(16) no . . . .
F43A C123 F44A F44B 131(2) no . . . .
F43A C123 F44A F43B -10.4(13) no . . . .
F44A C123 F45A F44B -8.4(19) no . . . .
F44A C123 F45A F45B 137(2) no . . . .
F45A C123 F44A F44B 13(3) no . . . .
F45A C123 F44A F43B -127.8(16) no . . . .
F44A C123 F45B F43A 98(3) no . . . .
F44A C123 F45B F45A -61(3) no . . . .
F45B C123 F44A F44B 47(4) no . . . .
F45B C123 F44A F43B -94(2) no . . . .
F44B C123 F43B F44A 22.8(15) no . . . .
F44B C123 F43B F43A -139(3) no . . . .
F43B C123 F44B F44A -39(3) no . . . .
F43B C123 F44B F45A 127.8(18) no . . . .
F44B C123 F43A F43B 53(3) no . . . .
F44B C123 F43A F45B -94.4(19) no . . . .
F43A C123 F44B F44A -66(3) no . . . .
F43A C123 F44B F45A 101.0(18) no . . . .
F44B C123 F45A F44B 0.0(14) no . . . .
F44B C123 F45A F45B 145(2) no . . . .
F45A C123 F44B F44A -167(3) no . . . .
F45A C123 F44B F45A -0.0(13) no . . . .
F44B C123 F45B F43A 125.2(16) no . . . .
F44B C123 F45B F45A -34(2) no . . . .
F45B C123 F44B F44A -145(2) no . . . .
F45B C123 F44B F45A 21.1(13) no . . . .
F43B C123 F43A F43B 0(3) no . . . .
F43B C123 F43A F45B -148(4) no . . . .
F43A C123 F43B F44A 161(4) no . . . .
F43A C123 F43B F43A 0.0(18) no . . . .
F43B C123 F45A F44B -93(2) no . . . .
F43B C123 F45A F45B 52(3) no . . . .
F45A C123 F43B F44A 100(2) no . . . .
F45A C123 F43B F43A -61(4) no . . . .
F43B C123 F45B F43A 17.3(19) no . . . .
F43B C123 F45B F45A -142(2) no . . . .
F45B C123 F43B F44A 129.7(11) no . . . .
F45B C123 F43B F43A -32(3) no . . . .
F43A C123 F45A F44B -123.5(13) no . . . .
F43A C123 F45A F45B 22(2) no . . . .
F45A C123 F43A F43B 134.3(19) no . . . .
F45A C123 F43A F45B -13.5(13) no . . . .
F43A C123 F45B F43A 0.0(9) no . . . .
F43A C123 F45B F45A -159.0(18) no . . . .
F45B C123 F43A F43B 148(2) no . . . .
F45B C123 F43A F45B 0.0(9) no . . . .
F45A C123 F45B F43A 159(3) no . . . .
F45A C123 F45B F45A 0(2) no . . . .
F45B C123 F45A F44B -145(3) no . . . .
F45B C123 F45A F45B 0.0(16) no . . . .
C126 C125 C130 C129 -2.2(12) no . . . .
C126 C125 C130 C131 -179.9(7) no . . . .
C130 C125 C126 C127 1.6(13) no . . . .
C125 C126 C127 C128 -0.6(12) no . . . .
C126 C127 C128 C129 0.2(13) no . . . .
C127 C128 C129 C130 -0.8(14) no . . . .
C128 C129 C130 C125 1.7(12) no . . . .
C128 C129 C130 C131 179.4(7) no . . . .
C133 C132 C137 C136 -4(3) no . . . .
C133 C132 C137 C138 173(2) no . . . .
C137 C132 C133 C134 4(5) no . . . .
C132 C133 C134 C135 1(4) no . . . .
C133 C134 C135 C136 -6(3) no . . . .
C134 C135 C136 C137 6(3) no . . . .
C135 C136 C137 C132 -0(2) no . . . .
C135 C136 C137 C138 -177.9(14) no . . . .
C140 C139 C144 C143 -0(2) no . . . .
C140 C139 C144 C145 -178.5(12) no . . . .
C144 C139 C140 C141 -1(2) no . . . .
C139 C140 C141 C142 -1(2) no . . . .
C140 C141 C142 C143 3.1(18) no . . . .
C141 C142 C143 C144 -4.0(18) no . . . .
C142 C143 C144 C139 3(2) no . . . .
C142 C143 C144 C145 -179.2(11) no . . . .
C147 C146 C151 C150 -5(2) no . . . .
C147 C146 C151 C152 169.7(14) no . . . .
C151 C146 C147 C148 9(2) no . . . .
C146 C147 C148 C149 -4(3) no . . . .
C147 C148 C149 C150 -6(5) no . . . .
C148 C149 C150 C151 10(4) no . . . .
C149 C150 C151 C146 -5(3) no . . . .
C149 C150 C151 C152 180(2) no . . . .
C92 F23A F23B C92 0.0(3) no . . . .
C92 F23A F23B F22A -38(2) no . . . .
C92 F23B F22A C92 0.0(4) no . . . .
C92 F23B F22A F22B -12(2) no . . . .
F23A F23B F22A C92 41(3) no . . . .
F23A F23B F22A F22B 30(5) no . . . .
C92 F22A F22B C92 0.0(4) no . . . .
F23B F22A F22B C92 11.1(19) no . . . .
C92 F24B F24A C92 0.0(4) no . . . .
C123 F44A F44B C123 -0.0(5) no . . . .
C123 F44A F44B F45A -15(4) no . . . .
C123 F44A F43B C123 0.0(5) no . . . .
C123 F44A F43B F43A 20(4) no . . . .
F44B F44A F43B C123 -39(3) no . . . .
F44B F44A F43B F43A -19(7) no . . . .
F43B F44A F44B C123 33(3) no . . . .
F43B F44A F44B F45A 18(6) no . . . .
C123 F44B F45A C123 0.0(6) no . . . .
C123 F44B F45A F45B -37(2) no . . . .
F44A F44B F45A C123 17(4) no . . . .
F44A F44B F45A F45B -20(6) no . . . .
C123 F43B F43A C123 0.0(4) no . . . .
C123 F43B F43A F45B 32(4) no . . . .
F44A F43B F43A C123 -17(4) no . . . .
F44A F43B F43A F45B 15(7) no . . . .
C123 F43A F45B C123 0.0(5) no . . . .
C123 F43A F45B F45A 22.5(19) no . . . .
F43B F43A F45B C123 -39(5) no . . . .
F43B F43A F45B F45A -16(6) no . . . .
C123 F45A F45B C123 -0.0(5) no . . . .
C123 F45A F45B F43A -18(2) no . . . .
F44B F45A F45B C123 30(2) no . . . .
F44B F45A F45B F43A 12(4) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pd1 C1 3.532(7) no . .
Pd2 C2 3.254(8) no . .
Pd3 C32 3.110(8) no . .
Pd4 C31 3.315(7) no . .
F1 C62 2.990(9) no . .
F1 C64 3.351(7) no . .
F2 C62 2.893(7) no . .
F2 C64 3.457(7) no . .
F3 C64 2.710(8) no . .
F4 C64 3.165(10) no . .
F4 C66 3.182(9) no . .
F5 C64 2.802(9) no . .
F5 C66 3.522(9) no . .
F6 C64 3.587(10) no . .
F6 C66 2.762(8) no . .
F7 C70 2.981(10) no . .
F7 C72 3.360(14) no . .
F8 C70 2.856(12) no . .
F8 C72 3.464(17) no . .
F9 C72 2.731(11) no . .
F10 C72 2.765(11) no . .
F10 C74 3.582(8) no . .
F11 C72 3.333(13) no . .
F11 C74 3.039(9) no . .
F12 C72 3.574(14) no . .
F12 C74 2.823(10) no . .
F13 C78 3.013(9) no . .
F13 C80 3.372(10) no . .
F14 C78 2.824(11) no . .
F14 C80 3.530(12) no . .
F14 F23A 3.513(15) no . .
F15 C80 2.785(11) no . .
F16 C80 2.885(12) no . .
F16 C82 3.484(10) no . .
F17 C82 2.748(12) no . .
F18 C80 2.942(10) no . .
F18 C82 3.429(9) no . .
F19 C86 2.744(8) no . .
F20 C86 3.503(9) no . .
F20 C88 2.887(9) no . .
F21 C86 3.376(9) no . .
F21 C88 2.943(8) no . .
F25 C94 3.289(9) no . .
F25 C96 3.079(11) no . .
F26 C94 2.786(7) no . .
F26 C96 3.583(9) no . .
F27 C94 3.539(9) no . .
F27 C96 2.782(9) no . .
F28 C96 2.731(9) no . .
F29 C96 3.362(8) no . .
F29 C98 3.027(8) no . .
F30 C96 3.482(7) no . .
F30 C98 2.879(9) no . .
F31 C102 3.080(10) no . .
F31 C104 3.238(10) no . .
F32 C102 2.807(8) no . .
F32 C104 3.558(8) no . .
F33 C104 2.756(9) no . .
F34 C104 3.073(9) no . .
F34 C106 3.186(11) no . .
F35 C106 2.727(10) no . .
F36 C104 2.827(9) no . .
F36 C106 3.549(10) no . .
F37 C110 2.758(10) no . .
F37 C112 3.590(11) no . .
F38 C110 3.223(13) no . .
F38 C112 3.235(17) no . .
F39 C110 3.568(8) no . .
F39 C112 2.795(12) no . .
F40 C112 2.766(10) no . .
F41 C112 3.493(14) no . .
F41 C114 2.891(10) no . .
F42 C112 3.365(16) no . .
F42 C114 2.979(10) no . .
F46 C120 2.750(13) no . .
F47 C120 3.482(14) no . .
F47 C122 2.897(12) no . .
F48 C120 3.423(13) no . .
F48 C122 2.942(11) no . .
C1 C4 2.805(9) no . .
C2 C5 2.819(10) no . .
C3 C6 2.873(9) no . .
C3 C53 3.233(9) no . .
C4 C53 3.408(8) no . .
C5 C8 3.109(8) no . .
C9 C12 3.226(8) no . .
C9 C20 3.499(9) no . .
C11 C18 2.829(9) no . .
C11 C22 3.124(11) no . .
C12 C19 2.804(10) no . .
C13 C16 2.798(10) no . .
C13 C20 2.802(11) no . .
C14 C17 2.795(13) no . .
C15 C18 2.800(11) no . .
C23 C30 3.019(18) no . .
C23 C32 3.356(9) no . .
C23 C33 3.249(9) no . .
C25 C28 2.77(3) no . .
C26 C29 2.734(19) no . .
C27 C30 2.78(2) no . .
C31 C34 2.801(10) no . .
C31 C38 3.115(8) no . .
C32 C35 2.796(10) no . .
C33 C36 2.825(8) no . .
C39 C42 3.252(7) no . .
C39 C50 3.400(9) no . .
C41 C48 2.822(9) no . .
C41 C52 3.050(9) no . .
C42 C49 2.778(11) no . .
C43 C46 2.810(10) no . .
C43 C50 2.811(9) no . .
C44 C47 2.795(13) no . .
C45 C48 2.807(10) no . .
C49 C52 3.564(9) no . .
C53 C60 3.064(11) no . .
C55 C58 2.774(11) no . .
C56 C59 2.708(18) no . .
C57 C60 2.769(16) no . .
C61 C64 2.860(9) no . .
C61 C70 3.183(7) no . .
C61 C82 3.145(8) no . .
C61 C86 3.345(10) no . .
C61 C90 3.547(10) no . .
C62 C65 2.753(7) no . .
C62 C69 3.136(8) no . .
C62 C70 3.198(8) no . .
C62 C85 3.467(10) no . .
C63 C66 2.741(8) no . .
C66 C77 3.162(8) no . .
C66 C82 3.240(8) no . .
C66 C85 3.380(9) no . .
C69 C72 2.858(8) no . .
C69 C78 3.285(9) no . .
C69 C82 3.403(8) no . .
C69 C86 3.081(9) no . .
C70 C73 2.757(11) no . .
C70 C77 3.327(9) no . .
C71 C74 2.737(11) no . .
C74 C77 3.366(8) no . .
C74 C78 3.560(8) no . .
C74 C85 3.051(7) no . .
C74 C86 3.107(8) no . .
C77 C80 2.852(9) no . .
C77 C90 3.161(10) no . .
C78 C81 2.740(11) no . .
C78 C85 3.151(9) no . .
C78 C90 3.177(9) no . .
C79 C82 2.747(11) no . .
C85 C88 2.861(10) no . .
C86 C89 2.738(9) no . .
C87 C90 2.748(10) no . .
C88 F23A 3.599(16) no . .
C88 F23B 3.043(19) no . .
C88 F22A 2.81(2) no . .
C88 F22B 2.685(11) no . .
C88 F24B 3.46(2) no . .
C88 F24A 3.49(2) no . .
C90 F23A 2.909(17) no . .
C90 F23B 3.178(17) no . .
C90 F24B 2.761(19) no . .
C90 F24A 3.06(2) no . .
C93 C96 2.857(9) no . .
C93 C102 3.415(10) no . .
C93 C106 3.346(10) no . .
C93 C110 3.119(8) no . .
C93 C118 3.162(9) no . .
C94 C97 2.744(9) no . .
C94 C101 3.400(10) no . .
C94 C117 3.142(9) no . .
C94 C118 3.261(9) no . .
C95 C98 2.739(8) no . .
C98 C101 3.302(11) no . .
C98 C106 3.530(11) no . .
C98 C109 3.118(9) no . .
C98 C110 3.165(8) no . .
C101 C104 2.845(11) no . .
C101 C114 3.104(8) no . .
C101 C122 3.125(9) no . .
C102 C105 2.758(9) no . .
C102 C117 3.175(10) no . .
C102 C122 3.149(10) no . .
C103 C106 2.743(9) no . .
C106 C109 3.064(10) no . .
C106 C114 3.131(10) no . .
C109 C112 2.849(9) no . .
C109 C118 3.342(8) no . .
C109 C122 3.442(9) no . .
C110 C113 2.764(10) no . .
C110 C117 3.426(9) no . .
C111 C114 2.766(12) no . .
C114 C117 3.375(8) no . .
C117 C120 2.849(10) no . .
C118 C121 2.753(12) no . .
C118 F44A 2.96(3) no . .
C118 F44B 3.33(3) no . .
C118 F43B 2.77(5) no . .
C118 F43A 2.87(2) no . .
C118 F45B 3.55(2) no . .
C119 C122 2.751(12) no . .
C120 F44A 3.37(3) no . .
C120 F44B 3.13(3) no . .
C120 F43A 3.43(2) no . .
C120 F45A 2.69(3) no . .
C120 F45B 2.91(3) no . .
C125 C128 2.744(18) no . .
C126 C129 2.767(16) no . .
C127 C130 2.765(12) no . .
C132 C135 2.66(4) no . .
C133 C136 2.73(5) no . .
C134 C137 2.84(3) no . .
C139 C142 2.81(3) no . .
C140 C143 2.69(3) no . .
C141 C144 2.673(18) no . .
C146 C149 2.76(5) no . .
C147 C150 2.93(4) no . .
C148 C151 2.74(5) no . .
Pd1 F4 3.265(10) no . .
Pd4 F2 3.210(6) no . .
Cl1 F29 3.301(8) no . 2_656
Cl1 F30 3.422(9) no . 2_656
Cl1 F35 3.320(13) no . 2_656
Cl2 F38 3.239(18) no . 2_656
F1 F41 3.485(13) no . 2_656
F2 Pd4 3.210(6) no . .
F2 C10 3.274(10) no . .
F2 C22 3.329(8) no . .
F2 C24 3.486(11) no . .
F2 C140 3.591(15) no . 2_747
F3 C24 3.442(9) no . .
F3 C31 3.453(8) no . .
F3 C32 3.318(9) no . .
F4 Pd1 3.265(10) no . .
F4 F31 3.008(9) no . 2_656
F4 C4 3.587(12) no . .
F4 C40 3.371(11) no . .
F4 C52 3.515(11) no . .
F4 C54 3.587(14) no . .
F5 F48 3.574(13) no . 2_656
F5 C101 3.423(11) no . 2_656
F5 C102 3.362(9) no . 2_656
F5 C103 3.522(10) no . 2_656
F5 C122 3.491(11) no . 2_656
F6 F34 3.079(12) no . 2_656
F6 C54 3.349(15) no . .
F6 C56 3.561(14) no . .
F6 C104 3.214(10) no . 2_656
F6 C105 3.390(12) no . 2_656
F7 C22 3.407(10) no . 2_757
F7 C23 3.276(10) no . 2_757
F8 C134 3.27(3) no . 2_747
F8 C135 3.25(3) no . 2_747
F9 C23 3.301(10) no . 2_757
F9 C128 3.588(12) no . 2_757
F10 F37 3.340(7) no . 2_657
F10 C29 3.365(19) no . 2_757
F10 C46 3.306(14) no . 1_656
F10 C47 3.167(12) no . 1_656
F11 C95 3.514(11) no . 2_657
F11 C96 3.187(11) no . 2_657
F11 C97 3.285(12) no . 2_657
F12 F25 3.379(11) no . 2_657
F12 C94 3.556(13) no . 2_657
F12 C95 3.584(13) no . 2_657
F12 F44A 3.49(3) no . 2_657
F12 F43B 3.13(3) no . 2_657
F13 F28 3.036(7) no . 2_657
F13 C1 3.437(10) no . 2_657
F13 C96 3.571(10) no . 2_657
F13 C132 3.25(3) no . .
F13 C137 3.47(2) no . .
F13 C138 3.58(3) no . .
F14 F20 2.758(8) no . 2_657
F14 F27 3.190(12) no . 2_657
F14 C7 3.494(11) no . 2_657
F15 F20 3.108(10) no . 2_657
F15 C125 3.562(11) no . 1_565
F15 C126 3.265(13) no . 1_565
F16 C135 3.53(2) no . .
F16 C136 3.252(17) no . .
F17 F34 3.111(10) no . 2_656
F17 F42 3.051(16) no . 2_656
F18 F34 2.964(9) no . 2_656
F18 C44 3.438(11) no . 2_656
F18 C57 3.456(13) no . .
F18 C128 3.490(11) no . 1_565
F18 C129 3.452(11) no . 1_565
F19 C8 3.333(8) no . .
F19 C9 3.351(8) no . .
F19 C10 3.576(9) no . .
F19 C142 3.444(14) no . 2_747
F19 F44A 3.14(2) no . 2_657
F19 F44B 3.32(2) no . 2_657
F20 F14 2.758(8) no . 2_647
F20 F15 3.108(10) no . 2_647
F20 C7 3.125(9) no . .
F20 C8 3.299(10) no . .
F20 C9 3.589(10) no . .
F20 C58 3.554(12) no . 2_647
F20 C59 3.475(13) no . 2_647
F20 C83 3.522(11) no . 2_647
F21 F26 3.564(10) no . 2_657
F21 C58 3.491(12) no . 2_647
F21 F44A 2.82(3) no . 2_657
F21 F44B 3.06(2) no . 2_657
F25 F12 3.379(11) no . 2_647
F25 C74 3.403(11) no . 2_647
F25 C85 3.302(10) no . 2_647
F25 C86 3.322(12) no . 2_647
F25 C87 3.324(12) no . 2_647
F25 C88 3.333(10) no . 2_647
F25 C89 3.285(9) no . 2_647
F25 C90 3.275(9) no . 2_647
F26 F21 3.564(10) no . 2_647
F26 C34 3.462(11) no . .
F26 C35 3.599(10) no . .
F26 C88 3.533(10) no . 2_647
F26 C125 3.509(13) no . .
F26 F23B 3.379(13) no . 2_647
F27 F14 3.190(12) no . 2_647
F27 F23A 3.082(15) no . 2_647
F27 F23B 3.063(14) no . 2_647
F28 F13 3.036(7) no . 2_647
F28 C1 3.326(8) no . .
F28 C2 3.395(9) no . .
F28 C132 3.43(4) no . 2_647
F29 Cl1 3.301(8) no . 2_646
F29 C2 3.589(8) no . .
F29 C39 3.451(10) no . .
F30 Cl1 3.422(9) no . 2_646
F30 C27 3.47(3) no . 1_455
F30 C148 3.47(3) no . 2_647
F31 F4 3.008(9) no . 2_646
F31 C40 3.221(10) no . 2_646
F31 C41 3.412(9) no . 2_646
F31 C52 3.353(11) no . 2_646
F32 C32 3.563(9) no . .
F32 C33 3.029(8) no . .
F32 C34 3.036(10) no . .
F32 C35 3.524(10) no . .
F32 C129 3.412(11) no . .
F33 C32 3.493(11) no . .
F34 F6 3.079(12) no . 2_646
F34 F17 3.111(10) no . 2_646
F34 F18 2.964(9) no . 2_646
F34 C56 3.378(16) no . 2_646
F34 C84 3.586(10) no . 2_646
F35 Cl1 3.320(13) no . 2_646
F35 C39 3.556(11) no . .
F35 C42 3.067(9) no . .
F35 C153 3.58(2) no . 2_646
F36 F46 3.131(11) no . 2_656
F36 F47 2.785(10) no . 2_656
F36 C38 3.468(11) no . .
F36 C39 3.450(11) no . .
F36 C42 3.598(10) no . .
F36 C124 3.531(13) no . 2_656
F37 F10 3.340(7) no . 2_647
F37 C28 3.51(2) no . 1_455
F37 C29 3.56(2) no . 1_455
F37 C49 3.554(10) no . 2_546
F38 Cl2 3.239(18) no . 2_646
F38 C28 3.45(3) no . 1_455
F39 C15 3.283(9) no . 1_454
F39 C16 3.193(9) no . 1_454
F39 C49 3.539(12) no . 2_546
F39 C148 3.29(3) no . 1_444
F39 C149 3.43(4) no . 1_444
F40 C145 3.50(2) no . 2_646
F41 F1 3.485(13) no . 2_646
F41 C63 3.497(13) no . 2_646
F41 C64 3.270(13) no . 2_646
F42 F17 3.051(16) no . 2_646
F42 C145 3.51(2) no . 2_646
F46 F36 3.131(11) no . 2_646
F46 C56 3.576(11) no . 1_545
F47 F36 2.785(10) no . 2_646
F48 F5 3.574(13) no . 2_646
C1 F13 3.437(10) no . 2_647
C1 F28 3.326(8) no . .
C2 F28 3.395(9) no . .
C2 F29 3.589(8) no . .
C2 F22B 3.443(14) no . .
C3 F22B 3.355(15) no . .
C3 F24B 3.19(2) no . .
C3 F24A 3.02(3) no . .
C4 F4 3.587(12) no . .
C4 C89 3.487(9) no . .
C4 C90 3.496(8) no . .
C4 F24B 3.36(3) no . .
C4 F24A 3.36(3) no . .
C7 F14 3.494(11) no . 2_647
C7 F20 3.125(9) no . .
C8 F19 3.333(8) no . .
C8 F20 3.299(10) no . .
C9 F19 3.351(8) no . .
C9 F20 3.589(10) no . .
C10 F2 3.274(10) no . .
C10 F19 3.576(9) no . .
C11 F23B 3.555(17) no . 2_647
C12 C143 3.278(16) no . 2_747
C12 C144 3.575(16) no . 2_747
C12 F23A 3.512(15) no . 2_647
C13 F24B 3.48(2) no . 2_647
C13 F24A 3.24(2) no . 2_647
C14 F24A 3.44(2) no . 2_647
C14 F45A 3.35(2) no . 2_657
C14 F45B 3.58(2) no . 2_657
C15 F39 3.283(9) no . 1_656
C16 F39 3.193(9) no . 1_656
C17 F22B 3.501(11) no . 2_647
C18 F22A 3.401(19) no . 2_647
C18 F22B 3.271(12) no . 2_647
C18 F24A 3.43(2) no . 2_647
C19 F22A 3.23(2) no . 2_647
C19 F22B 3.426(14) no . 2_647
C20 F22A 3.42(2) no . 2_647
C22 F2 3.329(8) no . .
C22 F7 3.407(10) no . 2_747
C23 F7 3.276(10) no . 2_747
C23 F9 3.301(10) no . 2_747
C24 F2 3.486(11) no . .
C24 F3 3.442(9) no . .
C26 C132 3.47(3) no . 2_747
C26 C137 3.42(2) no . 2_747
C26 C138 3.55(2) no . 2_747
C27 F30 3.47(3) no . 1_655
C27 C146 3.51(2) no . 2_747
C28 F37 3.51(2) no . 1_655
C28 F38 3.45(3) no . 1_655
C29 F10 3.365(19) no . 2_747
C29 F37 3.56(2) no . 1_655
C31 F3 3.453(8) no . .
C32 F3 3.318(9) no . .
C32 F32 3.563(9) no . .
C32 F33 3.493(11) no . .
C33 F32 3.029(8) no . .
C34 F26 3.462(11) no . .
C34 F32 3.036(10) no . .
C35 F26 3.599(10) no . .
C35 F32 3.524(10) no . .
C35 C102 3.567(8) no . .
C38 F36 3.468(11) no . .
C39 F29 3.451(10) no . .
C39 F35 3.556(11) no . .
C39 F36 3.450(11) no . .
C40 F4 3.371(11) no . .
C40 F31 3.221(10) no . 2_656
C41 F31 3.412(9) no . 2_656
C42 F35 3.067(9) no . .
C42 F36 3.598(10) no . .
C44 F18 3.438(11) no . 2_646
C46 F10 3.306(14) no . 1_454
C47 F10 3.167(12) no . 1_454
C49 F37 3.554(10) no . 2_556
C49 F39 3.539(12) no . 2_556
C52 F4 3.515(11) no . .
C52 F31 3.353(11) no . 2_656
C54 F4 3.587(14) no . .
C54 F6 3.349(15) no . .
C56 F6 3.561(14) no . .
C56 F34 3.378(16) no . 2_656
C56 F46 3.576(11) no . 1_565
C57 F18 3.456(13) no . .
C58 F20 3.554(12) no . 2_657
C58 F21 3.491(12) no . 2_657
C59 F20 3.475(13) no . 2_657
C59 F24B 3.58(3) no . .
C59 F44B 3.21(3) no . 1_565
C60 F24B 3.05(3) no . .
C60 F24A 3.30(3) no . .
C60 F44B 3.51(3) no . 1_565
C60 F45A 3.36(2) no . 1_565
C63 F41 3.497(13) no . 2_656
C64 F41 3.270(13) no . 2_656
C74 F25 3.403(11) no . 2_657
C83 F20 3.522(11) no . 2_657
C84 F34 3.586(10) no . 2_656
C85 F25 3.302(10) no . 2_657
C86 F25 3.322(12) no . 2_657
C87 F25 3.324(12) no . 2_657
C88 F25 3.333(10) no . 2_657
C88 F26 3.533(10) no . 2_657
C89 F25 3.285(9) no . 2_657
C89 C4 3.487(9) no . .
C90 F25 3.275(9) no . 2_657
C90 C4 3.496(8) no . .
C91 F44A 3.55(2) no . 2_657
C94 F12 3.556(13) no . 2_647
C95 F11 3.514(11) no . 2_647
C95 F12 3.584(13) no . 2_647
C96 F11 3.187(11) no . 2_647
C96 F13 3.571(10) no . 2_647
C97 F11 3.285(12) no . 2_647
C101 F5 3.423(11) no . 2_646
C102 F5 3.362(9) no . 2_646
C102 C35 3.567(8) no . .
C103 F5 3.522(10) no . 2_646
C104 F6 3.214(10) no . 2_646
C105 F6 3.390(12) no . 2_646
C122 F5 3.491(11) no . 2_646
C124 F36 3.531(13) no . 2_646
C125 F15 3.562(11) no . 1_545
C125 F26 3.509(13) no . .
C126 F15 3.265(13) no . 1_545
C126 F22A 3.56(3) no . 2_647
C128 F9 3.588(12) no . 2_747
C128 F18 3.490(11) no . 1_545
C129 F18 3.452(11) no . 1_545
C129 F32 3.412(11) no . .
C132 F13 3.25(3) no . .
C132 F28 3.43(4) no . 2_657
C132 C26 3.47(3) no . 2_757
C133 C146 3.49(4) no . .
C133 C147 3.46(5) no . .
C134 F8 3.27(3) no . 2_757
C135 F8 3.25(3) no . 2_757
C135 F16 3.53(2) no . .
C136 F16 3.252(17) no . .
C137 F13 3.47(2) no . .
C137 C26 3.42(2) no . 2_757
C138 F13 3.58(3) no . .
C138 C26 3.55(2) no . 2_757
C140 F2 3.591(15) no . 2_757
C142 F19 3.444(14) no . 2_757
C142 F43B 3.57(5) no . 1_665
C143 C12 3.278(16) no . 2_757
C144 C12 3.575(16) no . 2_757
C145 F40 3.50(2) no . 2_656
C145 F42 3.51(2) no . 2_656
C146 C27 3.51(2) no . 2_757
C146 C133 3.49(4) no . .
C147 C133 3.46(5) no . .
C148 F30 3.47(3) no . 2_657
C148 F39 3.29(3) no . 1_666
C149 F39 3.43(4) no . 1_666
C153 F35 3.58(2) no . 2_656
F23A F27 3.082(15) no . 2_657
F23A C12 3.512(15) no . 2_657
F23B F26 3.379(13) no . 2_657
F23B F27 3.063(14) no . 2_657
F23B C11 3.555(17) no . 2_657
F22A C18 3.401(19) no . 2_657
F22A C19 3.23(2) no . 2_657
F22A C20 3.42(2) no . 2_657
F22A C126 3.56(3) no . 2_657
F22B C2 3.443(14) no . .
F22B C3 3.355(15) no . .
F22B C17 3.501(11) no . 2_657
F22B C18 3.271(12) no . 2_657
F22B C19 3.426(14) no . 2_657
F24B C3 3.19(2) no . .
F24B C4 3.36(3) no . .
F24B C13 3.48(2) no . 2_657
F24B C59 3.58(3) no . .
F24B C60 3.05(3) no . .
F24A C3 3.02(3) no . .
F24A C4 3.36(3) no . .
F24A C13 3.24(2) no . 2_657
F24A C14 3.44(2) no . 2_657
F24A C18 3.43(2) no . 2_657
F24A C60 3.30(3) no . .
F44A F12 3.49(3) no . 2_647
F44A F19 3.14(2) no . 2_647
F44A F21 2.82(3) no . 2_647
F44A C91 3.55(2) no . 2_647
F44B F19 3.32(2) no . 2_647
F44B F21 3.06(2) no . 2_647
F44B C59 3.21(3) no . 1_545
F44B C60 3.51(3) no . 1_545
F43B F12 3.13(3) no . 2_647
F43B C142 3.57(5) no . 1_445
F45A C14 3.35(2) no . 2_647
F45A C60 3.36(2) no . 1_545
F45B C14 3.58(2) no . 2_647
Pd1 H2 3.3603 no . .
Pd1 H38 3.4808 no . .
Pd1 H53 3.4222 no . .
Pd2 H1 3.2550 no . .
Pd2 H4 3.5469 no . .
Pd2 H7 3.2897 no . .
Pd2 H31 3.5263 no . .
Pd2 H39 2.9048 no . .
Pd3 H5 3.4069 no . .
Pd3 H9 2.8599 no . .
Pd3 H31 2.9706 no . .
Pd3 H37 3.1960 no . .
Pd4 H8 3.4465 no . .
Pd4 H23 3.4297 no . .
Pd4 H32 2.9960 no . .
Pd4 H34 2.9983 no . .
F1 H62 2.9012 no . .
F1 H64 3.5317 no . .
F2 H62 2.6945 no . .
F3 H64 2.3872 no . .
F4 H64 3.2269 no . .
F4 H66 3.2164 no . .
F5 H64 2.5922 no . .
F6 H66 2.4659 no . .
F7 H70 2.8592 no . .
F7 H72 3.5347 no . .
F8 H70 2.6660 no . .
F9 H72 2.4131 no . .
F10 H72 2.5012 no . .
F11 H72 3.4970 no . .
F11 H74 2.9719 no . .
F12 H74 2.5565 no . .
F13 H78 2.9136 no . .
F13 H80 3.5493 no . .
F14 H78 2.5787 no . .
F15 H80 2.4962 no . .
F16 H80 2.7215 no . .
F17 H82 2.4089 no . .
F18 H80 2.8198 no . .
F18 H82 3.5994 no . .
F19 H86 2.4030 no . .
F20 H88 2.7095 no . .
F21 H86 3.5599 no . .
F21 H88 2.8763 no . .
F25 H94 3.3711 no . .
F25 H96 3.0675 no . .
F26 H94 2.4849 no . .
F27 H96 2.5608 no . .
F28 H96 2.4170 no . .
F29 H96 3.5253 no . .
F29 H98 2.9238 no . .
F30 H98 2.6842 no . .
F31 H102 3.0914 no . .
F31 H104 3.3710 no . .
F32 H102 2.5309 no . .
F33 H104 2.4662 no . .
F34 H104 3.1151 no . .
F34 H106 3.2725 no . .
F35 H106 2.3862 no . .
F36 H104 2.5885 no . .
F37 H110 2.4453 no . .
F38 H110 3.2749 no . .
F38 H112 3.3049 no . .
F39 H112 2.5394 no . .
F40 H112 2.4723 no . .
F41 H114 2.6854 no . .
F42 H112 3.5484 no . .
F42 H114 2.8850 no . .
F46 H120 2.4394 no . .
F47 H122 2.7122 no . .
F48 H122 2.7801 no . .
C1 H3 3.2977 no . .
C1 H5 3.3010 no . .
C1 H7 2.5683 no . .
C2 H4 3.2943 no . .
C2 H51 3.5142 no . .
C3 H1 3.2917 no . .
C3 H5 3.3260 no . .
C3 H51 2.9739 no . .
C3 H53 2.9297 no . .
C4 H2 3.2916 no . .
C4 H53 3.3867 no . .
C5 H1 3.2969 no . .
C5 H3 3.3347 no . .
C5 H7 3.3474 no . .
C5 H8 2.8702 no . .
C6 H2 3.3021 no . .
C6 H4 3.3313 no . .
C6 H8 2.7854 no . .
C7 H1 2.6028 no . .
C7 H5 2.7385 no . .
C7 H9 2.6239 no . .
C8 H5 2.8571 no . .
C8 H10 2.7263 no . .
C9 H7 2.5849 no . .
C9 H12 3.1558 no . .
C10 H8 2.7398 no . .
C10 H12 2.6690 no . .
C10 H21 3.5903 no . .
C10 H22 2.6038 no . .
C11 H9 2.6371 no . .
C11 H19 3.2862 no . .
C11 H21 3.2110 no . .
C11 H22 2.8814 no . .
C12 H9 3.2318 no . .
C12 H10 3.1521 no . .
C12 H14 2.6358 no . .
C13 H15 3.3010 no . .
C13 H17 3.2987 no . .
C13 H19 3.3009 no . .
C14 H12 2.6304 no . .
C14 H16 3.2607 no . .
C15 H17 3.2720 no . .
C16 H14 3.2638 no . .
C17 H15 3.2706 no . .
C17 H19 2.6573 no . .
C18 H12 3.2973 no . .
C18 H14 3.2920 no . .
C18 H16 3.2552 no . .
C19 H17 2.6520 no . .
C19 H21 2.7939 no . .
C20 H9 3.4975 no . .
C20 H10 2.9670 no . .
C20 H12 3.2882 no . .
C20 H22 2.6852 no . .
C21 H10 3.0408 no . .
C21 H19 2.6371 no . .
C21 H23 2.6784 no . .
C21 H33 2.8738 no . .
C22 H10 2.7419 no . .
C22 H24 2.5867 no . .
C22 H32 3.4364 no . .
C22 H33 2.8777 no . .
C23 H21 2.6977 no . .
C23 H30 2.7379 no . .
C23 H32 2.8512 no . .
C23 H33 2.6462 no . .
C24 H22 2.6366 no . .
C24 H26 2.6283 no . .
C24 H30 2.6555 no . .
C24 H32 2.9428 no . .
C25 H23 2.6795 no . .
C25 H27 3.2851 no . .
C25 H29 3.2295 no . .
C25 H32 3.4005 no . .
C26 H24 2.6054 no . .
C26 H28 3.2176 no . .
C26 H30 3.2376 no . .
C27 H29 3.2654 no . .
C28 H26 3.2119 no . .
C28 H30 3.2480 no . .
C29 H27 3.2728 no . .
C30 H23 2.7249 no . .
C30 H24 3.3016 no . .
C30 H26 3.2276 no . .
C30 H28 3.2444 no . .
C31 H33 3.2894 no . .
C31 H35 3.2949 no . .
C31 H37 3.3704 no . .
C31 H38 2.8586 no . .
C32 H23 3.3774 no . .
C32 H34 3.2658 no . .
C33 H21 3.0375 no . .
C33 H23 3.0254 no . .
C33 H31 3.2847 no . .
C33 H35 3.2822 no . .
C34 H21 3.5578 no . .
C34 H32 3.2679 no . .
C35 H31 3.2957 no . .
C35 H33 3.2831 no . .
C35 H37 2.5927 no . .
C36 H32 3.2996 no . .
C36 H34 3.2925 no . .
C36 H38 2.7893 no . .
C37 H31 2.7480 no . .
C37 H35 2.6200 no . .
C37 H39 2.6193 no . .
C38 H31 2.8484 no . .
C38 H40 2.7606 no . .
C39 H37 2.5882 no . .
C39 H42 3.2742 no . .
C40 H38 2.7408 no . .
C40 H42 2.6388 no . .
C40 H52 2.6164 no . .
C41 H39 2.6181 no . .
C41 H49 3.2695 no . .
C41 H51 3.2638 no . .
C41 H52 2.7483 no . .
C42 H39 3.3092 no . .
C42 H40 3.0892 no . .
C42 H44 2.6637 no . .
C43 H45 3.2894 no . .
C43 H47 3.3073 no . .
C43 H49 3.3010 no . .
C44 H42 2.6483 no . .
C44 H46 3.2564 no . .
C45 H47 3.2757 no . .
C46 H44 3.2608 no . .
C47 H45 3.2721 no . .
C47 H49 2.6755 no . .
C48 H42 3.2879 no . .
C48 H44 3.3031 no . .
C48 H46 3.2775 no . .
C49 H47 2.6799 no . .
C49 H51 2.8351 no . .
C50 H39 3.3132 no . .
C50 H40 3.0477 no . .
C50 H42 3.2765 no . .
C50 H52 2.6257 no . .
C51 H3 2.8683 no . .
C51 H40 3.1614 no . .
C51 H49 2.6314 no . .
C51 H53 2.7412 no . .
C52 H3 2.8547 no . .
C52 H4 3.3267 no . .
C52 H40 2.8511 no . .
C52 H54 2.5371 no . .
C53 H3 2.5724 no . .
C53 H4 2.9064 no . .
C53 H51 2.7367 no . .
C53 H60 2.8053 no . .
C54 H4 3.1629 no . .
C54 H52 2.5950 no . .
C54 H56 2.5985 no . .
C54 H60 2.7225 no . .
C55 H53 2.7393 no . .
C55 H57 3.2645 no . .
C55 H59 3.2352 no . .
C56 H54 2.5944 no . .
C56 H58 3.2380 no . .
C56 H60 3.2477 no . .
C57 H59 3.2182 no . .
C58 H56 3.2298 no . .
C58 H60 3.2335 no . .
C59 H57 3.2279 no . .
C60 H53 2.7978 no . .
C60 H54 3.3497 no . .
C60 H56 3.2438 no . .
C60 H58 3.2314 no . .
C61 H70 2.8546 no . .
C61 H82 2.7833 no . .
C61 H86 3.3040 no . .
C62 H64 3.2827 no . .
C62 H66 3.2330 no . .
C62 H70 2.7956 no . .
C62 H86 3.3282 no . .
C64 H62 3.2651 no . .
C64 H66 3.2776 no . .
C66 H62 3.2356 no . .
C66 H64 3.2913 no . .
C66 H82 2.7887 no . .
C67 H62 2.6248 no . .
C67 H64 2.6428 no . .
C68 H64 2.6691 no . .
C68 H66 2.6433 no . .
C69 H62 2.7746 no . .
C69 H78 3.3241 no . .
C69 H82 3.5259 no . .
C69 H86 2.7651 no . .
C70 H62 2.7473 no . .
C70 H72 3.2829 no . .
C70 H74 3.2305 no . .
C70 H82 3.5308 no . .
C72 H70 3.2670 no . .
C72 H74 3.2708 no . .
C74 H70 3.2334 no . .
C74 H72 3.2869 no . .
C74 H78 3.2870 no . .
C74 H86 2.8167 no . .
C75 H70 2.6046 no . .
C75 H72 2.6559 no . .
C76 H72 2.7045 no . .
C76 H74 2.6389 no . .
C77 H66 2.8406 no . .
C77 H70 3.3737 no . .
C77 H74 3.4427 no . .
C77 H90 2.8284 no . .
C78 H74 3.3742 no . .
C78 H80 3.2693 no . .
C78 H82 3.2344 no . .
C78 H90 2.7548 no . .
C80 H78 3.2548 no . .
C80 H82 3.2530 no . .
C82 H66 2.8928 no . .
C82 H70 3.3984 no . .
C82 H78 3.2341 no . .
C82 H80 3.2667 no . .
C83 H78 2.5845 no . .
C83 H80 2.7068 no . .
C84 H80 2.6282 no . .
C84 H82 2.6497 no . .
C85 H62 3.5374 no . .
C85 H66 3.3885 no . .
C85 H74 2.6696 no . .
C85 H78 2.7920 no . .
C86 H62 3.4962 no . .
C86 H74 2.6765 no . .
C86 H88 3.2850 no . .
C86 H90 3.2387 no . .
C87 H74 3.5640 no . .
C88 H86 3.2690 no . .
C88 H90 3.2611 no . .
C90 H66 3.5310 no . .
C90 H78 2.7105 no . .
C90 H86 3.2380 no . .
C90 H88 3.2780 no . .
C91 H86 2.6620 no . .
C91 H88 2.6361 no . .
C92 H88 2.6061 no . .
C92 H90 2.6532 no . .
C93 H102 3.4944 no . .
C93 H106 3.3712 no . .
C93 H110 2.7731 no . .
C93 H118 2.8355 no . .
C94 H96 3.2811 no . .
C94 H98 3.2195 no . .
C94 H102 3.5611 no . .
C94 H118 2.8840 no . .
C96 H94 3.2635 no . .
C96 H98 3.2579 no . .
C98 H94 3.2223 no . .
C98 H96 3.2743 no . .
C98 H106 3.2629 no . .
C98 H110 2.7856 no . .
C99 H94 2.6539 no . .
C99 H96 2.6482 no . .
C100 H96 2.6773 no . .
C100 H98 2.6082 no . .
C101 H94 3.5154 no . .
C101 H98 3.3333 no . .
C101 H114 2.7745 no . .
C101 H122 2.7562 no . .
C102 H104 3.2799 no . .
C102 H106 3.2441 no . .
C102 H122 2.6583 no . .
C104 H102 3.2687 no . .
C104 H106 3.2472 no . .
C106 H98 3.2516 no . .
C106 H102 3.2476 no . .
C106 H104 3.2600 no . .
C106 H114 2.7914 no . .
C107 H102 2.6167 no . .
C107 H104 2.6761 no . .
C108 H104 2.6623 no . .
C108 H106 2.5983 no . .
C109 H98 2.7586 no . .
C109 H106 2.7020 no . .
C109 H118 3.3784 no . .
C109 H122 3.5254 no . .
C110 H98 2.7466 no . .
C110 H112 3.2754 no . .
C110 H114 3.2404 no . .
C110 H118 3.3895 no . .
C112 H110 3.2643 no . .
C112 H114 3.2670 no . .
C114 H106 2.7435 no . .
C114 H110 3.2387 no . .
C114 H112 3.2796 no . .
C114 H122 3.5408 no . .
C115 H110 2.6352 no . .
C115 H112 2.6906 no . .
C116 H112 2.6732 no . .
C116 H114 2.6285 no . .
C117 H94 2.7844 no . .
C117 H102 2.8482 no . .
C117 H110 3.4686 no . .
C117 H114 3.3959 no . .
C118 H94 2.8189 no . .
C118 H110 3.4319 no . .
C118 H120 3.2800 no . .
C118 H122 3.2378 no . .
C120 H118 3.2673 no . .
C120 H122 3.2496 no . .
C122 H102 2.7225 no . .
C122 H114 3.4299 no . .
C122 H118 3.2399 no . .
C122 H120 3.2641 no . .
C123 H118 2.6286 no . .
C123 H120 2.6969 no . .
C124 H120 2.6971 no . .
C124 H122 2.6072 no . .
C125 H13A 3.1228 no . .
C125 H13B 3.1005 no . .
C125 H13C 2.5228 no . .
C125 H127 3.2444 no . .
C125 H129 3.2284 no . .
C126 H128 3.2476 no . .
C127 H125 3.2447 no . .
C127 H129 3.2174 no . .
C128 H126 3.2463 no . .
C129 H13A 2.7959 no . .
C129 H13B 2.7920 no . .
C129 H13C 3.3240 no . .
C129 H125 3.2256 no . .
C129 H127 3.2222 no . .
C130 H126 3.2715 no . .
C130 H128 3.2666 no . .
C131 H125 2.6153 no . .
C131 H129 2.7059 no . .
C132 H13D 2.7357 no . .
C132 H13E 2.6734 no . .
C132 H13F 3.1431 no . .
C132 H134 3.3097 no . .
C132 H136 3.2422 no . .
C133 H135 3.1155 no . .
C134 H132 3.2651 no . .
C134 H136 3.2879 no . .
C135 H133 3.1396 no . .
C136 H13D 3.0603 no . .
C136 H13E 3.1055 no . .
C136 H13F 2.3496 no . .
C136 H132 3.2603 no . .
C136 H134 3.2844 no . .
C137 H133 3.1479 no . .
C137 H135 3.2627 no . .
C138 H132 2.6189 no . .
C138 H136 2.6213 no . .
C139 H14A 2.7026 no . .
C139 H14B 2.6716 no . .
C139 H14C 3.2633 no . .
C139 H141 3.1571 no . .
C139 H143 3.2630 no . .
C140 H142 3.2460 no . .
C141 H139 3.1798 no . .
C141 H143 3.1326 no . .
C142 H140 3.2285 no . .
C143 H14A 3.2250 no . .
C143 H14B 3.2699 no . .
C143 H14C 2.7082 no . .
C143 H139 3.2857 no . .
C143 H141 3.1210 no . .
C144 H140 3.1939 no . .
C144 H142 3.3143 no . .
C145 H139 2.5829 no . .
C145 H143 2.8200 no . .
C146 H15A 3.2226 no . .
C146 H15B 3.2737 no . .
C146 H15C 2.6742 no . .
C146 H148 3.1493 no . .
C146 H150 3.3473 no . .
C147 H149 3.3201 no . .
C148 H146 3.1541 no . .
C148 H150 3.2647 no . .
C149 H147 3.3496 no . .
C150 H15A 2.6747 no . .
C150 H15B 2.6760 no . .
C150 H15C 3.2530 no . .
C150 H146 3.3155 no . .
C150 H148 3.2345 no . .
C151 H147 3.4340 no . .
C151 H149 3.2532 no . .
C152 H146 2.8173 no . .
C152 H150 2.5920 no . .
B1 H62 2.8069 no . .
B1 H66 2.7795 no . .
B1 H70 2.8039 no . .
B1 H74 2.7727 no . .
B1 H78 2.7609 no . .
B1 H82 2.8186 no . .
B1 H86 2.7477 no . .
B1 H90 2.8458 no . .
B2 H94 2.8068 no . .
B2 H98 2.7535 no . .
B2 H102 2.8445 no . .
B2 H106 2.7637 no . .
B2 H110 2.7712 no . .
B2 H114 2.7793 no . .
B2 H118 2.7781 no . .
B2 H122 2.8011 no . .
H1 H2 2.3068 no . .
H1 H7 2.3544 no . .
H2 H3 2.3793 no . .
H2 H51 3.3594 no . .
H3 H4 2.3711 no . .
H3 H51 2.3867 no . .
H3 H53 2.1085 no . .
H3 H60 3.5840 no . .
H4 H5 2.3737 no . .
H4 H52 3.5592 no . .
H4 H53 3.0307 no . .
H4 H54 3.5031 no . .
H5 H8 2.3572 no . .
H7 H8 2.8497 no . .
H7 H9 2.3715 no . .
H8 H9 2.8981 no . .
H8 H10 2.6262 no . .
H9 H10 2.8195 no . .
H9 H12 3.2339 no . .
H10 H12 3.2707 no . .
H10 H22 2.0837 no . .
H12 H14 2.4611 no . .
H13A H125 3.2958 no . .
H13A H129 2.7590 no . .
H13B H125 3.2614 no . .
H13B H129 2.7577 no . .
H13C H125 2.2794 no . .
H13D H132 2.7461 no . .
H13D H136 3.2447 no . .
H13E H132 2.6840 no . .
H13E H136 3.3240 no . .
H13F H132 3.5222 no . .
H13F H136 2.1630 no . .
H14 H15 2.3428 no . .
H14A H139 2.6404 no . .
H14A H143 3.4333 no . .
H14B H139 2.5746 no . .
H14B H143 3.5116 no . .
H14C H139 3.5245 no . .
H14C H143 2.5444 no . .
H15 H16 2.3407 no . .
H15A H146 3.4669 no . .
H15A H150 2.6121 no . .
H15B H146 3.4784 no . .
H15B H150 2.6184 no . .
H15C H146 2.5121 no . .
H15C H150 3.5344 no . .
H16 H17 2.3143 no . .
H17 H19 2.4896 no . .
H19 H21 2.6975 no . .
H21 H22 2.8125 no . .
H21 H23 2.5409 no . .
H21 H33 2.3774 no . .
H21 H34 3.3487 no . .
H22 H23 2.8462 no . .
H22 H24 2.4242 no . .
H23 H24 2.7623 no . .
H23 H30 2.1725 no . .
H23 H32 2.9634 no . .
H23 H33 2.2449 no . .
H24 H26 2.3989 no . .
H24 H30 3.5803 no . .
H24 H32 3.2986 no . .
H26 H27 2.3293 no . .
H27 H28 2.3420 no . .
H28 H29 2.3502 no . .
H29 H30 2.3020 no . .
H31 H32 2.3561 no . .
H31 H38 2.3251 no . .
H32 H33 2.3343 no . .
H33 H34 2.3529 no . .
H34 H35 2.3338 no . .
H35 H37 2.3769 no . .
H37 H38 2.8412 no . .
H37 H39 2.3792 no . .
H38 H39 2.8832 no . .
H38 H40 2.6603 no . .
H39 H40 2.8375 no . .
H39 H42 3.4699 no . .
H40 H42 3.1390 no . .
H40 H52 2.2048 no . .
H42 H44 2.4881 no . .
H44 H45 2.3081 no . .
H45 H46 2.3519 no . .
H46 H47 2.3218 no . .
H47 H49 2.5161 no . .
H49 H51 2.7246 no . .
H51 H52 2.8203 no . .
H51 H53 2.6256 no . .
H52 H53 2.8826 no . .
H52 H54 2.3422 no . .
H53 H54 2.7937 no . .
H53 H60 2.2672 no . .
H54 H56 2.3708 no . .
H56 H57 2.3238 no . .
H57 H58 2.3455 no . .
H58 H59 2.2947 no . .
H59 H60 2.2877 no . .
H62 H70 2.5345 no . .
H62 H86 2.9125 no . .
H66 H82 2.6373 no . .
H66 H90 3.1555 no . .
H70 H82 3.0362 no . .
H74 H78 2.8647 no . .
H74 H86 2.6268 no . .
H78 H90 2.4702 no . .
H88 F23B 3.0745 no . .
H88 F22A 2.5522 no . .
H88 F22B 2.3813 no . .
H90 F23A 2.6794 no . .
H90 F23B 3.2606 no . .
H90 F24B 2.5122 no . .
H90 F24A 2.8961 no . .
H94 H102 3.1788 no . .
H94 H118 2.6277 no . .
H98 H106 2.7503 no . .
H98 H110 2.5830 no . .
H102 H122 2.4066 no . .
H106 H114 2.6405 no . .
H110 H118 2.9279 no . .
H114 H122 3.0228 no . .
H118 F44A 2.8332 no . .
H118 F44B 3.3971 no . .
H118 F43B 2.4409 no . .
H118 F43A 2.7101 no . .
H120 F44A 3.5485 no . .
H120 F44B 3.1033 no . .
H120 F45A 2.3709 no . .
H120 F45B 2.7295 no . .
H125 H126 2.3409 no . .
H126 H127 2.3578 no . .
H127 H128 2.2771 no . .
H128 H129 2.3386 no . .
H132 H133 2.3170 no . .
H133 H134 2.3238 no . .
H134 H135 2.3302 no . .
H135 H136 2.2394 no . .
H139 H140 2.2963 no . .
H140 H141 2.2275 no . .
H141 H142 2.3042 no . .
H142 H143 2.3182 no . .
H146 H147 2.4003 no . .
H147 H148 2.3128 no . .
H148 H149 2.2915 no . .
H149 H150 2.3757 no . .
Cl1 H98 3.0308 no . 2_656
Cl1 H106 3.3942 no . 2_656
Cl2 H14C 3.1922 no . .
Cl2 H143 2.8336 no . .
F1 H24 2.9441 no . .
F1 H26 3.2690 no . .
F1 H140 3.0808 no . 2_747
F2 H8 3.0871 no . .
F2 H10 2.4061 no . .
F2 H22 2.6741 no . .
F2 H24 2.8777 no . .
F2 H32 3.3850 no . .
F2 H140 3.0525 no . 2_747
F3 H15C 2.9955 no . 2_747
F3 H24 3.0523 no . .
F3 H26 3.3920 no . .
F3 H31 2.9658 no . .
F3 H32 2.7206 no . .
F4 H4 3.0349 no . .
F4 H38 3.4182 no . .
F4 H40 2.4832 no . .
F4 H52 2.9043 no . .
F4 H54 3.0689 no . .
F5 H114 2.7738 no . 2_656
F5 H122 2.5781 no . 2_656
F6 H54 2.7091 no . .
F6 H56 2.9741 no . .
F6 H104 3.3474 no . 2_656
F7 H13F 3.4240 no . .
F7 H23 3.3077 no . 2_757
F8 H127 3.4582 no . 2_757
F8 H134 2.7138 no . 2_747
F8 H135 2.5575 no . 2_747
F8 H140 3.1571 no . 2_747
F9 H23 2.7558 no . 2_757
F9 H30 3.0879 no . 2_757
F9 H127 3.2189 no . 2_757
F9 H128 2.9036 no . 2_757
F10 H29 3.0871 no . 2_757
F10 H46 2.8485 no . 1_656
F10 H47 2.5537 no . 1_656
F11 H13D 3.4456 no . .
F11 H13E 3.1229 no . .
F11 H96 3.4232 no . 2_657
F12 H118 2.9412 no . 2_657
F12 H142 3.2853 no . 2_747
F13 H1 2.5660 no . 2_657
F13 H13D 2.8609 no . .
F13 H96 2.6467 no . 2_657
F13 H132 2.8622 no . .
F14 H1 3.1406 no . 2_657
F14 H7 2.7891 no . 2_657
F14 H58 3.3301 no . .
F14 H59 3.4449 no . .
F14 H96 3.4890 no . 2_657
F15 H1 3.3235 no . 2_657
F15 H58 3.0607 no . .
F15 H88 3.2014 no . 2_657
F15 H125 3.3841 no . 1_565
F15 H126 2.8363 no . 1_565
F16 H14A 3.4109 no . .
F16 H44 3.0480 no . 2_656
F16 H45 2.9539 no . 2_656
F16 H128 3.5465 no . 1_565
F16 H135 3.2206 no . .
F16 H136 2.8152 no . .
F16 H139 3.4436 no . .
F17 H14A 2.8290 no . .
F17 H44 3.3640 no . 2_656
F18 H44 2.5063 no . 2_656
F18 H57 2.6540 no . .
F18 H129 3.5561 no . 1_565
F19 H8 3.3847 no . .
F19 H12 2.8007 no . .
F19 H59 3.2894 no . 2_647
F19 H142 2.9811 no . 2_747
F20 H7 3.1410 no . .
F20 H9 3.5736 no . .
F20 H58 2.9560 no . 2_647
F20 H59 2.7692 no . 2_647
F21 H13C 3.1244 no . 2_657
F21 H58 2.9634 no . 2_647
F21 H59 3.2105 no . 2_647
F21 H125 3.0177 no . 2_657
F25 H74 2.4634 no . 2_647
F25 H78 2.9176 no . 2_647
F26 H13C 3.1120 no . .
F26 H34 2.7791 no . .
F26 H35 3.0633 no . .
F26 H88 3.5083 no . 2_647
F26 H125 2.9357 no . .
F27 H7 2.7597 no . .
F27 H9 3.0038 no . .
F27 H35 3.2145 no . .
F27 H78 3.4731 no . 2_647
F28 H1 2.7352 no . .
F28 H2 2.8724 no . .
F28 H132 2.5002 no . 2_647
F28 H147 3.0859 no . 2_647
F29 H2 3.3006 no . .
F29 H37 3.2833 no . .
F29 H39 2.5846 no . .
F29 H148 3.0171 no . 2_647
F30 H27 2.8218 no . 1_455
F30 H28 3.1639 no . 1_455
F30 H148 3.3868 no . 2_647
F31 H40 2.5373 no . 2_646
F31 H52 2.4210 no . 2_646
F31 H54 3.2885 no . 2_646
F32 H13B 2.8335 no . .
F32 H33 3.2075 no . .
F32 H34 3.2596 no . .
F32 H129 2.8453 no . .
F33 H52 3.3013 no . 2_646
F33 H54 3.3299 no . 2_646
F34 H56 2.5913 no . 2_646
F34 H57 3.3232 no . 2_646
F35 H15D 3.5405 no . 2_646
F35 H15E 3.2311 no . 2_646
F35 H39 3.3210 no . .
F35 H42 2.6377 no . .
F35 H44 3.3671 no . .
F36 H38 3.5496 no . .
F36 H42 2.7847 no . .
F36 H56 3.0828 no . 2_646
F37 H28 2.8576 no . 1_455
F37 H29 2.9571 no . 1_455
F37 H47 2.7714 no . 2_546
F37 H49 2.6912 no . 2_546
F37 H149 3.2875 no . 1_444
F38 H15 3.4152 no . 1_454
F38 H28 2.5572 no . 1_455
F39 H15 2.7874 no . 1_454
F39 H16 2.5871 no . 1_454
F39 H49 2.6252 no . 2_546
F39 H51 3.2510 no . 2_546
F39 H148 3.2925 no . 1_444
F39 H149 3.4588 no . 1_444
F40 H14A 3.5607 no . 2_646
F40 H14B 3.2592 no . 2_646
F40 H14C 3.1312 no . 2_646
F40 H17 3.4967 no . 1_454
F40 H134 3.5379 no . 1_444
F40 H146 3.2547 no . 1_444
F41 H15B 3.5562 no . 1_444
F41 H15C 3.0339 no . 1_444
F41 H64 3.3186 no . 2_646
F41 H146 3.3976 no . 1_444
F42 H14A 3.0010 no . 2_646
F42 H14C 3.3491 no . 2_646
F42 H15D 3.2714 no . 2_646
F46 H56 3.2110 no . 1_545
F46 H104 2.7172 no . 2_646
F47 H13A 3.3148 no . .
F47 H38 3.0195 no . 2_646
F47 H40 3.4288 no . 2_646
F48 H15A 3.4322 no . 1_444
F48 H15B 3.3907 no . 1_444
F48 H31 2.8306 no . 2_646
F48 H38 3.0368 no . 2_646
F48 H64 2.8371 no . 2_646
C1 H96 3.5597 no . .
C8 H86 3.5766 no . .
C12 H143 3.3361 no . 2_747
C13 H14C 3.4972 no . 2_747
C13 H60 3.5803 no . 2_647
C13 H143 3.3926 no . 2_747
C14 H53 3.4260 no . 2_647
C14 H60 2.8764 no . 2_647
C14 H143 3.2646 no . 2_747
C15 H3 3.4930 no . 2_647
C15 H51 3.5921 no . 2_647
C15 H53 2.9158 no . 2_647
C15 H60 3.3690 no . 2_647
C15 H112 3.4975 no . 1_656
C16 H3 3.3428 no . 2_647
C16 H51 3.4804 no . 2_647
C16 H112 2.9590 no . 1_656
C16 H147 3.4793 no . 1_545
C17 H112 3.5469 no . 1_656
C17 H133 3.2387 no . 1_545
C17 H147 3.5777 no . 1_545
C18 H14B 3.4134 no . 2_747
C18 H14C 3.5628 no . 2_747
C19 H14B 3.3236 no . 2_747
C19 H126 3.5352 no . .
C20 H14B 3.5042 no . 2_747
C21 H127 3.5460 no . .
C25 H13E 3.0785 no . 2_747
C26 H13E 2.8814 no . 2_747
C26 H132 3.5721 no . 2_747
C26 H146 3.5647 no . 2_747
C27 H13E 3.1334 no . 2_747
C27 H132 3.4130 no . 2_747
C29 H72 3.3779 no . 2_747
C30 H13E 3.5768 no . 2_747
C30 H72 3.1298 no . 2_747
C34 H13B 3.3514 no . .
C42 H129 3.4870 no . 2_656
C43 H15E 3.3928 no . 2_646
C44 H15E 3.0875 no . 2_646
C44 H128 3.0002 no . 2_656
C44 H129 3.5223 no . 2_656
C45 H15E 3.1807 no . 2_646
C45 H128 3.2694 no . 2_656
C46 H15E 3.5443 no . 2_646
C46 H72 3.1068 no . 1_454
C47 H29 3.0082 no . 2_656
C47 H149 3.3145 no . 2_647
C48 H29 3.2888 no . 2_656
C48 H149 3.4864 no . 2_647
C49 H29 3.3654 no . 2_656
C49 H148 3.3209 no . 2_647
C49 H149 3.2271 no . 2_647
C50 H148 3.4869 no . 2_647
C51 H148 3.5219 no . 2_647
C53 H15 3.3329 no . 2_657
C55 H120 3.4576 no . 1_565
C56 H120 3.5400 no . 1_565
C57 H13A 3.1108 no . 1_565
C58 H13A 3.5344 no . 1_565
C60 H14 3.2895 no . 2_657
C61 H5 3.2123 no . .
C62 H5 3.3688 no . .
C62 H8 3.3632 no . .
C63 H5 3.5136 no . .
C63 H8 3.5604 no . .
C64 H5 3.4880 no . .
C65 H4 3.5807 no . .
C65 H5 3.2677 no . .
C66 H4 3.2709 no . .
C66 H5 3.1155 no . .
C67 H24 3.2056 no . .
C67 H140 3.5974 no . 2_747
C68 H54 3.5157 no . .
C69 H13D 3.4793 no . .
C69 H141 3.0676 no . 2_747
C70 H13F 3.3398 no . .
C70 H141 3.0554 no . 2_747
C71 H13F 3.2521 no . .
C71 H141 3.0951 no . 2_747
C72 H13E 3.1951 no . .
C72 H13F 3.4347 no . .
C72 H46 3.2018 no . 1_656
C72 H141 3.1974 no . 2_747
C73 H13D 3.3662 no . .
C73 H13E 3.2055 no . .
C73 H141 3.1994 no . 2_747
C74 H13D 3.2229 no . .
C74 H141 3.1209 no . 2_747
C76 H46 3.5405 no . 1_656
C77 H13D 3.3907 no . .
C78 H13D 2.9194 no . .
C79 H13D 2.9534 no . .
C79 H58 3.3922 no . .
C80 H13D 3.4309 no . .
C80 H57 3.4564 no . .
C80 H58 3.3886 no . .
C81 H57 3.5025 no . .
C83 H1 3.2528 no . 2_657
C83 H13D 3.4528 no . .
C83 H58 3.4054 no . .
C84 H44 3.2344 no . 2_656
C84 H57 3.5789 no . .
C85 H5 3.3890 no . .
C86 H5 3.4342 no . .
C86 H8 3.2474 no . .
C87 H8 3.5199 no . .
C88 H125 3.3737 no . 2_657
C90 H4 3.3254 no . .
C91 H58 3.5675 no . 2_647
C91 H59 3.3365 no . 2_647
C93 H35 3.3147 no . .
C94 H35 2.7285 no . .
C95 H35 2.6902 no . .
C96 H1 3.4339 no . .
C96 H35 3.2650 no . .
C96 H37 3.5564 no . .
C97 H37 3.2932 no . .
C98 H37 3.3708 no . .
C99 H35 3.1359 no . .
C100 H1 3.5636 no . .
C102 H13B 3.1785 no . .
C102 H35 3.4227 no . .
C104 H54 3.5252 no . 2_646
C104 H56 3.4923 no . 2_646
C106 H37 3.5829 no . .
C107 H52 3.4223 no . 2_646
C108 H42 3.2696 no . .
C108 H56 3.2694 no . 2_646
C109 H15B 3.4063 no . 1_444
C111 H15D 3.3079 no . 2_646
C112 H15D 2.9865 no . 2_646
C112 H16 3.5376 no . 1_454
C113 H15B 3.4335 no . 1_444
C113 H15D 2.9928 no . 2_646
C114 H15B 3.0864 no . 1_444
C114 H15D 3.3238 no . 2_646
C115 H28 3.3185 no . 1_455
C115 H49 3.1741 no . 2_546
C116 H15D 3.5839 no . 2_646
C117 H15B 3.2444 no . 1_444
C118 H15B 3.5642 no . 1_444
C118 H150 3.4918 no . 1_444
C119 H150 3.3123 no . 1_444
C120 H15A 3.5477 no . 1_444
C120 H15B 3.4873 no . 1_444
C121 H13A 3.4118 no . .
C121 H15A 3.5120 no . 1_444
C121 H15B 3.1188 no . 1_444
C122 H13B 3.5847 no . .
C122 H15B 2.9565 no . 1_444
C123 H14 3.4419 no . 2_647
C123 H150 3.4727 no . 1_444
C124 H38 3.5571 no . 2_646
C125 H34 3.2197 no . .
C125 H58 3.3139 no . 1_545
C125 H80 3.5073 no . 1_545
C125 H88 3.3950 no . 2_647
C126 H19 3.4417 no . .
C126 H21 3.1864 no . .
C126 H80 3.1030 no . 1_545
C127 H19 3.3893 no . .
C127 H21 2.8310 no . .
C127 H80 3.2541 no . 1_545
C128 H21 3.2706 no . .
C128 H33 3.4602 no . .
C128 H44 3.2476 no . 2_646
C129 H33 3.4710 no . .
C129 H34 3.4228 no . .
C129 H44 3.4013 no . 2_646
C130 H34 2.9985 no . .
C130 H57 3.3544 no . 1_545
C130 H58 3.5996 no . 1_545
C131 H34 3.2596 no . .
C131 H57 3.3141 no . 1_545
C131 H94 3.3719 no . .
C131 H102 3.1822 no . .
C132 H26 3.0585 no . 2_757
C132 H27 3.3570 no . 2_757
C132 H146 3.5514 no . .
C132 H147 3.2358 no . .
C133 H17 3.0608 no . 1_565
C133 H26 3.3649 no . 2_757
C133 H146 2.8879 no . .
C133 H147 2.8731 no . .
C134 H17 3.3871 no . 1_565
C134 H19 3.5776 no . 1_565
C134 H127 3.4007 no . 1_565
C134 H146 3.4739 no . .
C135 H127 3.4099 no . 1_565
C135 H140 3.4424 no . .
C136 H24 3.4451 no . 2_757
C136 H26 3.5892 no . 2_757
C136 H139 3.2720 no . .
C137 H26 3.1178 no . 2_757
C139 H10 3.5500 no . 2_757
C139 H22 3.2390 no . 2_757
C139 H45 3.2909 no . 2_656
C139 H135 3.5605 no . .
C139 H136 3.3632 no . .
C140 H10 3.2137 no . 2_757
C140 H22 3.4752 no . 2_757
C140 H45 3.5181 no . 2_656
C140 H62 3.5627 no . 2_757
C140 H135 3.3645 no . .
C141 H10 3.4100 no . 2_757
C141 H46 3.2535 no . 2_656
C141 H62 3.4512 no . 2_757
C141 H86 3.5162 no . 2_757
C142 H12 3.2201 no . 2_757
C142 H46 2.8322 no . 2_656
C143 H12 3.1405 no . 2_757
C143 H45 3.5332 no . 2_656
C143 H46 3.0710 no . 2_656
C144 H45 3.2843 no . 2_656
C146 H26 3.3423 no . 2_757
C146 H27 2.8182 no . 2_757
C146 H112 3.5163 no . 1_666
C146 H133 2.9610 no . .
C147 H16 2.9798 no . 1_565
C147 H17 3.5846 no . 1_565
C147 H27 3.0252 no . 2_757
C147 H132 3.4490 no . .
C147 H133 2.7332 no . .
C148 H16 3.2760 no . 1_565
C148 H27 3.5890 no . 2_757
C148 H49 3.5065 no . 2_657
C149 H49 3.3983 no . 2_657
C151 H27 3.2013 no . 2_757
C153 H14C 3.5229 no . .
H1 F13 2.5660 no . 2_647
H1 F14 3.1406 no . 2_647
H1 F15 3.3235 no . 2_647
H1 F28 2.7352 no . .
H1 C83 3.2528 no . 2_647
H1 C96 3.4339 no . .
H1 C100 3.5636 no . .
H1 H96 2.7227 no . .
H2 F28 2.8724 no . .
H2 F29 3.3006 no . .
H2 H16 3.4668 no . 2_657
H2 H147 2.9409 no . 2_647
H2 H148 3.5821 no . 2_647
H3 C15 3.4930 no . 2_657
H3 C16 3.3428 no . 2_657
H3 H15 3.5959 no . 2_657
H3 H16 3.3535 no . 2_657
H3 F22B 3.4340 no . .
H3 F24B 2.9763 no . .
H3 F24A 2.7796 no . .
H4 F4 3.0349 no . .
H4 C65 3.5807 no . .
H4 C66 3.2709 no . .
H4 C90 3.3254 no . .
H4 H66 2.9928 no . .
H4 H90 3.2097 no . .
H4 F24B 3.2658 no . .
H4 F24A 3.3684 no . .
H5 C61 3.2123 no . .
H5 C62 3.3688 no . .
H5 C63 3.5136 no . .
H5 C64 3.4880 no . .
H5 C65 3.2677 no . .
H5 C66 3.1155 no . .
H5 C85 3.3890 no . .
H5 C86 3.4342 no . .
H5 H66 3.4975 no . .
H7 F14 2.7891 no . 2_647
H7 F20 3.1410 no . .
H7 F27 2.7597 no . .
H7 H96 3.2993 no . .
H8 F2 3.0871 no . .
H8 F19 3.3847 no . .
H8 C62 3.3632 no . .
H8 C63 3.5604 no . .
H8 C86 3.2474 no . .
H8 C87 3.5199 no . .
H8 H62 3.3080 no . .
H8 H86 3.0037 no . .
H9 F20 3.5736 no . .
H9 F27 3.0038 no . .
H9 F23A 2.8240 no . 2_647
H9 F23B 2.9346 no . 2_647
H10 F2 2.4061 no . .
H10 C139 3.5500 no . 2_747
H10 C140 3.2137 no . 2_747
H10 C141 3.4100 no . 2_747
H10 H140 3.3498 no . 2_747
H12 F19 2.8007 no . .
H12 C142 3.2201 no . 2_747
H12 C143 3.1405 no . 2_747
H12 H59 3.1592 no . 2_647
H12 H142 3.2773 no . 2_747
H12 H143 3.1738 no . 2_747
H12 F44B 3.4983 no . 2_657
H13A F47 3.3148 no . .
H13A C57 3.1108 no . 1_545
H13A C58 3.5344 no . 1_545
H13A C121 3.4118 no . .
H13A H57 2.6525 no . 1_545
H13A H58 3.4513 no . 1_545
H13A H102 3.4117 no . .
H13B F32 2.8335 no . .
H13B C34 3.3514 no . .
H13B C102 3.1785 no . .
H13B C122 3.5847 no . .
H13B H34 2.8050 no . .
H13B H94 3.0054 no . .
H13B H102 2.2734 no . .
H13C F21 3.1244 no . 2_647
H13C F26 3.1120 no . .
H13C H34 3.4669 no . .
H13C H57 3.5624 no . 1_545
H13C H58 3.2369 no . 1_545
H13C H94 2.8344 no . .
H13C H102 3.5686 no . .
H13D F11 3.4456 no . .
H13D F13 2.8609 no . .
H13D C69 3.4793 no . .
H13D C73 3.3662 no . .
H13D C74 3.2229 no . .
H13D C77 3.3907 no . .
H13D C78 2.9194 no . .
H13D C79 2.9534 no . .
H13D C80 3.4309 no . .
H13D C83 3.4528 no . .
H13D H74 3.4888 no . .
H13D H78 3.1515 no . .
H13E F11 3.1229 no . .
H13E C25 3.0785 no . 2_757
H13E C26 2.8814 no . 2_757
H13E C27 3.1334 no . 2_757
H13E C30 3.5768 no . 2_757
H13E C72 3.1951 no . .
H13E C73 3.2055 no . .
H13E H26 3.1662 no . 2_757
H13E H27 3.4405 no . 2_757
H13E H72 3.3914 no . .
H13F F7 3.4240 no . .
H13F C70 3.3398 no . .
H13F C71 3.2521 no . .
H13F C72 3.4347 no . .
H14 C60 3.2895 no . 2_647
H14 C123 3.4419 no . 2_657
H14 H53 3.5071 no . 2_647
H14 H59 3.5328 no . 2_647
H14 H60 2.5839 no . 2_647
H14 H143 3.0278 no . 2_747
H14 F44A 3.5367 no . 2_657
H14 F44B 2.9293 no . 2_657
H14 F45A 2.4484 no . 2_657
H14 F45B 2.7393 no . 2_657
H14A F16 3.4109 no . .
H14A F17 2.8290 no . .
H14A F40 3.5607 no . 2_656
H14A F42 3.0010 no . 2_656
H14A H15E 3.3530 no . .
H14A H45 3.4453 no . 2_656
H14B F40 3.2592 no . 2_656
H14B C18 3.4134 no . 2_757
H14B C19 3.3236 no . 2_757
H14B C20 3.5042 no . 2_757
H14C Cl2 3.1922 no . .
H14C F40 3.1312 no . 2_656
H14C F42 3.3491 no . 2_656
H14C C13 3.4972 no . 2_757
H14C C18 3.5628 no . 2_757
H14C C153 3.5229 no . .
H14C H15D 3.3665 no . .
H14C H15E 3.3431 no . .
H14C H112 3.5671 no . 2_656
H15 F38 3.4152 no . 1_656
H15 F39 2.7874 no . 1_656
H15 C53 3.3329 no . 2_647
H15 H3 3.5959 no . 2_647
H15 H51 3.1901 no . 2_647
H15 H53 2.6127 no . 2_647
H15 H60 3.4387 no . 2_647
H15A F48 3.4322 no . 1_666
H15A C120 3.5477 no . 1_666
H15A C121 3.5120 no . 1_666
H15B F41 3.5562 no . 1_666
H15B F48 3.3907 no . 1_666
H15B C109 3.4063 no . 1_666
H15B C113 3.4335 no . 1_666
H15B C114 3.0864 no . 1_666
H15B C117 3.2444 no . 1_666
H15B C118 3.5642 no . 1_666
H15B C120 3.4873 no . 1_666
H15B C121 3.1188 no . 1_666
H15B C122 2.9565 no . 1_666
H15B H114 3.1839 no . 1_666
H15B H122 3.2333 no . 1_666
H15C F3 2.9955 no . 2_757
H15C F41 3.0339 no . 1_666
H15C H26 3.2188 no . 2_757
H15C H64 3.4122 no . 2_757
H15D F35 3.5405 no . 2_656
H15D F42 3.2714 no . 2_656
H15D C111 3.3079 no . 2_656
H15D C112 2.9865 no . 2_656
H15D C113 2.9928 no . 2_656
H15D C114 3.3238 no . 2_656
H15D C116 3.5839 no . 2_656
H15D H14C 3.3665 no . .
H15D H106 3.1481 no . 2_656
H15D H112 3.3235 no . 2_656
H15E F35 3.2311 no . 2_656
H15E C43 3.3928 no . 2_656
H15E C44 3.0875 no . 2_656
H15E C45 3.1807 no . 2_656
H15E C46 3.5443 no . 2_656
H15E H14A 3.3530 no . .
H15E H14C 3.3431 no . .
H15E H44 3.3737 no . 2_656
H15E H45 3.5231 no . 2_656
H16 F39 2.5871 no . 1_656
H16 C112 3.5376 no . 1_656
H16 C147 2.9798 no . 1_545
H16 C148 3.2760 no . 1_545
H16 H2 3.4668 no . 2_647
H16 H3 3.3535 no . 2_647
H16 H51 2.9705 no . 2_647
H16 H112 2.6876 no . 1_656
H16 H147 2.7816 no . 1_545
H16 H148 3.1959 no . 1_545
H17 F40 3.4967 no . 1_656
H17 C133 3.0608 no . 1_545
H17 C134 3.3871 no . 1_545
H17 C147 3.5846 no . 1_545
H17 H133 2.3110 no . 1_545
H17 H134 3.0677 no . 1_545
H17 H147 2.9926 no . 1_545
H19 C126 3.4417 no . .
H19 C127 3.3893 no . .
H19 C134 3.5776 no . 1_545
H19 H126 2.9973 no . .
H19 H127 2.8667 no . .
H19 H134 3.0026 no . 1_545
H19 F22A 3.5195 no . 2_647
H19 F22B 3.5810 no . 2_647
H21 C126 3.1864 no . .
H21 C127 2.8310 no . .
H21 C128 3.2706 no . .
H21 H126 3.4424 no . .
H21 H127 2.8544 no . .
H21 H128 3.5705 no . .
H22 F2 2.6741 no . .
H22 C139 3.2390 no . 2_747
H22 C140 3.4752 no . 2_747
H22 H139 3.0273 no . 2_747
H22 H140 3.4464 no . 2_747
H23 F7 3.3077 no . 2_747
H23 F9 2.7558 no . 2_747
H23 H128 3.4655 no . .
H24 F1 2.9441 no . .
H24 F2 2.8777 no . .
H24 F3 3.0523 no . .
H24 C67 3.2056 no . .
H24 C136 3.4451 no . 2_747
H24 H136 3.3852 no . 2_747
H26 F1 3.2690 no . .
H26 F3 3.3920 no . .
H26 C132 3.0585 no . 2_747
H26 C133 3.3649 no . 2_747
H26 C136 3.5892 no . 2_747
H26 C137 3.1178 no . 2_747
H26 C146 3.3423 no . 2_747
H26 H13E 3.1662 no . 2_747
H26 H15C 3.2188 no . 2_747
H26 H132 3.3480 no . 2_747
H26 H146 2.8986 no . 2_747
H27 F30 2.8218 no . 1_655
H27 C132 3.3570 no . 2_747
H27 C146 2.8182 no . 2_747
H27 C147 3.0252 no . 2_747
H27 C148 3.5890 no . 2_747
H27 C151 3.2013 no . 2_747
H27 H13E 3.4405 no . 2_747
H27 H132 2.9590 no . 2_747
H27 H146 3.0583 no . 2_747
H27 H147 3.2880 no . 2_747
H28 F30 3.1639 no . 1_655
H28 F37 2.8576 no . 1_655
H28 F38 2.5572 no . 1_655
H28 C115 3.3185 no . 1_655
H29 F10 3.0871 no . 2_747
H29 F37 2.9571 no . 1_655
H29 C47 3.0082 no . 2_646
H29 C48 3.2888 no . 2_646
H29 C49 3.3654 no . 2_646
H29 H47 2.7578 no . 2_646
H29 H49 3.1241 no . 2_646
H29 H72 3.3977 no . 2_747
H30 F9 3.0879 no . 2_747
H30 H72 2.9636 no . 2_747
H31 F3 2.9658 no . .
H31 F48 2.8306 no . 2_656
H31 H64 3.1781 no . .
H32 F2 3.3850 no . .
H32 F3 2.7206 no . .
H33 F32 3.2075 no . .
H33 C128 3.4602 no . .
H33 C129 3.4710 no . .
H34 F26 2.7791 no . .
H34 F32 3.2596 no . .
H34 C125 3.2197 no . .
H34 C129 3.4228 no . .
H34 C130 2.9985 no . .
H34 C131 3.2596 no . .
H34 H13B 2.8050 no . .
H34 H13C 3.4669 no . .
H34 H125 3.4340 no . .
H35 F26 3.0633 no . .
H35 F27 3.2145 no . .
H35 C93 3.3147 no . .
H35 C94 2.7285 no . .
H35 C95 2.6902 no . .
H35 C96 3.2650 no . .
H35 C99 3.1359 no . .
H35 C102 3.4227 no . .
H35 H94 2.9516 no . .
H35 H102 3.4310 no . .
H37 F29 3.2833 no . .
H37 C96 3.5564 no . .
H37 C97 3.2932 no . .
H37 C98 3.3708 no . .
H37 C106 3.5829 no . .
H38 F4 3.4182 no . .
H38 F36 3.5496 no . .
H38 F47 3.0195 no . 2_656
H38 F48 3.0368 no . 2_656
H38 C124 3.5571 no . 2_656
H39 F29 2.5846 no . .
H39 F35 3.3210 no . .
H40 F4 2.4832 no . .
H40 F31 2.5373 no . 2_656
H40 F47 3.4288 no . 2_656
H42 F35 2.6377 no . .
H42 F36 2.7847 no . .
H42 C108 3.2696 no . .
H42 H129 3.0131 no . 2_656
H44 F16 3.0480 no . 2_646
H44 F17 3.3640 no . 2_646
H44 F18 2.5063 no . 2_646
H44 F35 3.3671 no . .
H44 C84 3.2344 no . 2_646
H44 C128 3.2476 no . 2_656
H44 C129 3.4013 no . 2_656
H44 H15E 3.3737 no . 2_646
H44 H128 2.7528 no . 2_656
H44 H129 3.0543 no . 2_656
H45 F16 2.9539 no . 2_646
H45 C139 3.2909 no . 2_646
H45 C140 3.5181 no . 2_646
H45 C143 3.5332 no . 2_646
H45 C144 3.2843 no . 2_646
H45 H14A 3.4453 no . 2_646
H45 H15E 3.5231 no . 2_646
H45 H128 3.2273 no . 2_656
H46 F10 2.8485 no . 1_454
H46 C72 3.2018 no . 1_454
H46 C76 3.5405 no . 1_454
H46 C141 3.2535 no . 2_646
H46 C142 2.8322 no . 2_646
H46 C143 3.0710 no . 2_646
H46 H72 2.7566 no . 1_454
H46 H141 3.5635 no . 2_646
H46 H142 2.9519 no . 2_646
H46 H143 3.2734 no . 2_646
H47 F10 2.5537 no . 1_454
H47 F37 2.7714 no . 2_556
H47 H29 2.7578 no . 2_656
H47 H149 2.8973 no . 2_647
H49 F37 2.6912 no . 2_556
H49 F39 2.6252 no . 2_556
H49 C115 3.1741 no . 2_556
H49 C148 3.5065 no . 2_647
H49 C149 3.3983 no . 2_647
H49 H29 3.1241 no . 2_656
H49 H148 3.0166 no . 2_647
H49 H149 2.8155 no . 2_647
H51 F39 3.2510 no . 2_556
H51 C15 3.5921 no . 2_657
H51 C16 3.4804 no . 2_657
H51 H15 3.1901 no . 2_657
H51 H16 2.9705 no . 2_657
H51 H148 2.9119 no . 2_647
H52 F4 2.9043 no . .
H52 F31 2.4210 no . 2_656
H52 F33 3.3013 no . 2_656
H52 C107 3.4223 no . 2_656
H53 C14 3.4260 no . 2_657
H53 C15 2.9158 no . 2_657
H53 H14 3.5071 no . 2_657
H53 H15 2.6127 no . 2_657
H53 F24B 3.3267 no . .
H53 F24A 3.2871 no . .
H54 F4 3.0689 no . .
H54 F6 2.7091 no . .
H54 F31 3.2885 no . 2_656
H54 F33 3.3299 no . 2_656
H54 C68 3.5157 no . .
H54 C104 3.5252 no . 2_656
H54 H104 2.9789 no . 2_656
H56 F6 2.9741 no . .
H56 F34 2.5913 no . 2_656
H56 F36 3.0828 no . 2_656
H56 F46 3.2110 no . 1_565
H56 C104 3.4923 no . 2_656
H56 C108 3.2694 no . 2_656
H56 H104 2.8945 no . 2_656
H57 F18 2.6540 no . .
H57 F34 3.3232 no . 2_656
H57 C80 3.4564 no . .
H57 C81 3.5025 no . .
H57 C84 3.5789 no . .
H57 C130 3.3544 no . 1_565
H57 C131 3.3141 no . 1_565
H57 H13A 2.6525 no . 1_565
H57 H13C 3.5624 no . 1_565
H57 H80 3.4184 no . .
H58 F14 3.3301 no . .
H58 F15 3.0607 no . .
H58 F20 2.9560 no . 2_657
H58 F21 2.9634 no . 2_657
H58 C79 3.3922 no . .
H58 C80 3.3886 no . .
H58 C83 3.4054 no . .
H58 C91 3.5675 no . 2_657
H58 C125 3.3139 no . 1_565
H58 C130 3.5996 no . 1_565
H58 H13A 3.4513 no . 1_565
H58 H13C 3.2369 no . 1_565
H58 H80 3.2965 no . .
H58 H125 3.0170 no . 1_565
H59 F14 3.4449 no . .
H59 F19 3.2894 no . 2_657
H59 F20 2.7692 no . 2_657
H59 F21 3.2105 no . 2_657
H59 C91 3.3365 no . 2_657
H59 H12 3.1592 no . 2_657
H59 H14 3.5328 no . 2_657
H59 F23A 3.1132 no . .
H59 F24B 3.4599 no . .
H59 F44B 3.0678 no . 1_565
H60 C13 3.5803 no . 2_657
H60 C14 2.8764 no . 2_657
H60 C15 3.3690 no . 2_657
H60 H14 2.5839 no . 2_657
H60 H15 3.4387 no . 2_657
H60 F23A 3.4643 no . .
H60 F24B 2.4847 no . .
H60 F24A 2.6399 no . .
H60 F44B 3.5863 no . 1_565
H60 F45A 3.2708 no . 1_565
H62 C140 3.5627 no . 2_747
H62 C141 3.4512 no . 2_747
H62 H8 3.3080 no . .
H62 H140 3.0277 no . 2_747
H62 H141 2.7752 no . 2_747
H64 F41 3.3186 no . 2_656
H64 F48 2.8371 no . 2_656
H64 H15C 3.4122 no . 2_747
H64 H31 3.1781 no . .
H66 H4 2.9928 no . .
H66 H5 3.4975 no . .
H70 H141 3.5685 no . 2_747
H72 C29 3.3779 no . 2_757
H72 C30 3.1298 no . 2_757
H72 C46 3.1068 no . 1_656
H72 H13E 3.3914 no . .
H72 H29 3.3977 no . 2_757
H72 H30 2.9636 no . 2_757
H72 H46 2.7566 no . 1_656
H74 F25 2.4634 no . 2_657
H74 H13D 3.4888 no . .
H78 F25 2.9176 no . 2_657
H78 F27 3.4731 no . 2_657
H78 H13D 3.1515 no . .
H80 C125 3.5073 no . 1_565
H80 C126 3.1030 no . 1_565
H80 C127 3.2541 no . 1_565
H80 H57 3.4184 no . .
H80 H58 3.2965 no . .
H80 H126 3.2702 no . 1_565
H80 H127 3.5104 no . 1_565
H86 C8 3.5766 no . .
H86 C141 3.5162 no . 2_747
H86 H8 3.0037 no . .
H86 H141 2.8085 no . 2_747
H86 H142 3.5779 no . 2_747
H88 F15 3.2014 no . 2_647
H88 F26 3.5083 no . 2_657
H88 C125 3.3950 no . 2_657
H88 H125 2.6280 no . 2_657
H88 H126 3.1225 no . 2_657
H90 H4 3.2097 no . .
H94 C131 3.3719 no . .
H94 H13B 3.0054 no . .
H94 H13C 2.8344 no . .
H94 H35 2.9516 no . .
H96 F11 3.4232 no . 2_647
H96 F13 2.6467 no . 2_647
H96 F14 3.4890 no . 2_647
H96 C1 3.5597 no . .
H96 H1 2.7227 no . .
H96 H7 3.2993 no . .
H98 Cl1 3.0308 no . 2_646
H102 C131 3.1822 no . .
H102 H13A 3.4117 no . .
H102 H13B 2.2734 no . .
H102 H13C 3.5686 no . .
H102 H35 3.4310 no . .
H104 F6 3.3474 no . 2_646
H104 F46 2.7172 no . 2_656
H104 H54 2.9789 no . 2_646
H104 H56 2.8945 no . 2_646
H106 Cl1 3.3942 no . 2_646
H106 H15D 3.1481 no . 2_646
H112 C15 3.4975 no . 1_454
H112 C16 2.9590 no . 1_454
H112 C17 3.5469 no . 1_454
H112 C146 3.5163 no . 1_444
H112 H14C 3.5671 no . 2_646
H112 H15D 3.3235 no . 2_646
H112 H16 2.6876 no . 1_454
H114 F5 2.7738 no . 2_646
H114 H15B 3.1839 no . 1_444
H118 F12 2.9412 no . 2_647
H120 C55 3.4576 no . 1_545
H120 C56 3.5400 no . 1_545
H122 F5 2.5781 no . 2_646
H122 H15B 3.2333 no . 1_444
H125 F15 3.3841 no . 1_545
H125 F21 3.0177 no . 2_647
H125 F26 2.9357 no . .
H125 C88 3.3737 no . 2_647
H125 H34 3.4340 no . .
H125 H58 3.0170 no . 1_545
H125 H88 2.6280 no . 2_647
H125 F22A 3.5676 no . 2_647
H126 F15 2.8363 no . 1_545
H126 C19 3.5352 no . .
H126 H19 2.9973 no . .
H126 H21 3.4424 no . .
H126 H80 3.2702 no . 1_545
H126 H88 3.1225 no . 2_647
H126 F22A 2.9776 no . 2_647
H126 F22B 2.9914 no . 2_647
H127 F8 3.4582 no . 2_747
H127 F9 3.2189 no . 2_747
H127 C21 3.5460 no . .
H127 C134 3.4007 no . 1_545
H127 C135 3.4099 no . 1_545
H127 H19 2.8667 no . .
H127 H21 2.8544 no . .
H127 H80 3.5104 no . 1_545
H127 H134 3.2854 no . 1_545
H127 H135 3.1633 no . 1_545
H128 F9 2.9036 no . 2_747
H128 F16 3.5465 no . 1_545
H128 C44 3.0002 no . 2_646
H128 C45 3.2694 no . 2_646
H128 H21 3.5705 no . .
H128 H23 3.4655 no . .
H128 H44 2.7528 no . 2_646
H128 H45 3.2273 no . 2_646
H129 F18 3.5561 no . 1_545
H129 F32 2.8453 no . .
H129 C42 3.4870 no . 2_646
H129 C44 3.5223 no . 2_646
H129 H42 3.0131 no . 2_646
H129 H44 3.0543 no . 2_646
H132 F13 2.8622 no . .
H132 F28 2.5002 no . 2_657
H132 C26 3.5721 no . 2_757
H132 C27 3.4130 no . 2_757
H132 C147 3.4490 no . .
H132 H26 3.3480 no . 2_757
H132 H27 2.9590 no . 2_757
H132 H147 2.8479 no . .
H133 C17 3.2387 no . 1_565
H133 C146 2.9610 no . .
H133 C147 2.7332 no . .
H133 H17 2.3110 no . 1_565
H133 H146 2.4863 no . .
H133 H147 2.0927 no . .
H134 F8 2.7138 no . 2_757
H134 F40 3.5379 no . 1_666
H134 H17 3.0677 no . 1_565
H134 H19 3.0026 no . 1_565
H134 H127 3.2854 no . 1_565
H134 H146 3.5803 no . .
H135 F8 2.5575 no . 2_757
H135 F16 3.2206 no . .
H135 C139 3.5605 no . .
H135 C140 3.3645 no . .
H135 H127 3.1633 no . 1_565
H135 H139 3.1926 no . .
H135 H140 2.7838 no . .
H136 F16 2.8152 no . .
H136 C139 3.3632 no . .
H136 H24 3.3852 no . 2_757
H136 H139 2.5130 no . .
H139 F16 3.4436 no . .
H139 C136 3.2720 no . .
H139 H22 3.0273 no . 2_757
H139 H135 3.1926 no . .
H139 H136 2.5130 no . .
H140 F1 3.0808 no . 2_757
H140 F2 3.0525 no . 2_757
H140 F8 3.1571 no . 2_757
H140 C67 3.5974 no . 2_757
H140 C135 3.4424 no . .
H140 H10 3.3498 no . 2_757
H140 H22 3.4464 no . 2_757
H140 H62 3.0277 no . 2_757
H140 H135 2.7838 no . .
H141 C69 3.0676 no . 2_757
H141 C70 3.0554 no . 2_757
H141 C71 3.0951 no . 2_757
H141 C72 3.1974 no . 2_757
H141 C73 3.1994 no . 2_757
H141 C74 3.1209 no . 2_757
H141 H46 3.5635 no . 2_656
H141 H62 2.7752 no . 2_757
H141 H70 3.5685 no . 2_757
H141 H86 2.8085 no . 2_757
H142 F12 3.2853 no . 2_757
H142 F19 2.9811 no . 2_757
H142 H12 3.2773 no . 2_757
H142 H46 2.9519 no . 2_656
H142 H86 3.5779 no . 2_757
H142 F44A 2.9547 no . 1_665
H142 F44B 3.3605 no . 1_665
H142 F43B 2.7962 no . 1_665
H142 F43A 3.2907 no . 1_665
H143 Cl2 2.8336 no . .
H143 C12 3.3361 no . 2_757
H143 C13 3.3926 no . 2_757
H143 C14 3.2646 no . 2_757
H143 H12 3.1738 no . 2_757
H143 H14 3.0278 no . 2_757
H143 H46 3.2734 no . 2_656
H143 F43B 3.4126 no . 1_665
H143 F43A 3.4278 no . 1_665
H146 F40 3.2547 no . 1_666
H146 F41 3.3976 no . 1_666
H146 C26 3.5647 no . 2_757
H146 C132 3.5514 no . .
H146 C133 2.8879 no . .
H146 C134 3.4739 no . .
H146 H26 2.8986 no . 2_757
H146 H27 3.0583 no . 2_757
H146 H133 2.4863 no . .
H146 H134 3.5803 no . .
H147 F28 3.0859 no . 2_657
H147 C16 3.4793 no . 1_565
H147 C17 3.5777 no . 1_565
H147 C132 3.2358 no . .
H147 C133 2.8731 no . .
H147 H2 2.9409 no . 2_657
H147 H16 2.7816 no . 1_565
H147 H17 2.9926 no . 1_565
H147 H27 3.2880 no . 2_757
H147 H132 2.8479 no . .
H147 H133 2.0927 no . .
H148 F29 3.0171 no . 2_657
H148 F30 3.3868 no . 2_657
H148 F39 3.2925 no . 1_666
H148 C49 3.3209 no . 2_657
H148 C50 3.4869 no . 2_657
H148 C51 3.5219 no . 2_657
H148 H2 3.5821 no . 2_657
H148 H16 3.1959 no . 1_565
H148 H49 3.0166 no . 2_657
H148 H51 2.9119 no . 2_657
H149 F37 3.2875 no . 1_666
H149 F39 3.4588 no . 1_666
H149 C47 3.3145 no . 2_657
H149 C48 3.4864 no . 2_657
H149 C49 3.2271 no . 2_657
H149 H47 2.8973 no . 2_657
H149 H49 2.8155 no . 2_657
H150 C118 3.4918 no . 1_666
H150 C119 3.3123 no . 1_666
H150 C123 3.4727 no . 1_666
H150 F43B 3.3942 no . 1_666
H150 F43A 2.8065 no . 1_666
H150 F45B 3.2161 no . 1_666
F23A H9 2.8240 no . 2_657
F23A H59 3.1132 no . .
F23A H60 3.4643 no . .
F23B H9 2.9346 no . 2_657
F22A H19 3.5195 no . 2_657
F22A H125 3.5676 no . 2_657
F22A H126 2.9776 no . 2_657
F22B H3 3.4340 no . .
F22B H19 3.5810 no . 2_657
F22B H126 2.9914 no . 2_657
F24B H3 2.9763 no . .
F24B H4 3.2658 no . .
F24B H53 3.3267 no . .
F24B H59 3.4599 no . .
F24B H60 2.4847 no . .
F24A H3 2.7796 no . .
F24A H4 3.3684 no . .
F24A H53 3.2871 no . .
F24A H60 2.6399 no . .
F44A H14 3.5367 no . 2_647
F44A H142 2.9547 no . 1_445
F44B H12 3.4983 no . 2_647
F44B H14 2.9293 no . 2_647
F44B H59 3.0678 no . 1_545
F44B H60 3.5863 no . 1_545
F44B H142 3.3605 no . 1_445
F43B H142 2.7962 no . 1_445
F43B H143 3.4126 no . 1_445
F43B H150 3.3942 no . 1_444
F43A H142 3.2907 no . 1_445
F43A H143 3.4278 no . 1_445
F43A H150 2.8065 no . 1_444
F45A H14 2.4484 no . 2_647
F45A H60 3.2708 no . 1_545
F45B H14 2.7393 no . 2_647
F45B H150 3.2161 no . 1_444

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================

