#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:00:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178733 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/44/4084463.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4084463
loop_
_publ_author_name
'Wakioka, Masayuki'
'Nakamura, Yuki'
'Hihara, Yoshihiro'
'Ozawa, Fumiyuki'
'Sakaki, Shigeyoshi'
_publ_section_title
;
 Effects of PAr3Ligands on Direct Arylation of Heteroarenes with Isolated
 [Pd(2,6-Me2C6H3)(μ-O2CMe)(PAr3)]4Complexes
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6247
_journal_paper_doi               10.1021/om500922n
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         '(C112 H96 F12 O8 P4 Pd4), 6(C4 H8 O)'
_chemical_formula_sum            'C136 H144 F12 O14 P4 Pd4'
_chemical_formula_weight         2779.99
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.712(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.313(7)
_cell_length_b                   14.755(3)
_cell_length_c                   28.978(6)
_cell_measurement_reflns_used    14578
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      4-046.cif
_cell_measurement_theta_min      3.0761
_cell_volume                     12844(5)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            53465
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.08
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  0.9050
_exptl_absorpt_correction_T_min  0.8120
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5696
_exptl_crystal_recrystallization_method THF/pentane
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.307
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     697
_refine_ls_number_reflns         11913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0713P)²+50.3354P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1348
_reflns_number_gt                10601
_reflns_number_total             11913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500922n_si_002.cif
_cod_data_source_block           1c
_cod_depositor_comments          'Adding full bibliography for 4084463.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4084463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd1 Pd 0.568176(9) 0.699004(18) 0.347946(9) 0.02550(9) Uani 1 1 d .
Pd2 Pd 0.583497(9) 0.531683(19) 0.192861(9) 0.02684(9) Uani 1 1 d .
O1 O 0.57324(9) 0.60366(18) 0.29463(9) 0.0314(6) Uani 1 1 d .
C1 C 0.55792(12) 0.5242(3) 0.28990(13) 0.0281(8) Uani 1 1 d .
O2 O 0.55497(9) 0.48231(18) 0.25150(9) 0.0319(6) Uani 1 1 d .
C2 C 0.54430(15) 0.4743(3) 0.33073(14) 0.0379(9) Uani 1 1 d .
H1 H 0.5704 0.4647 0.3541 0.057 Uiso 1 1 calc R
H2 H 0.5315 0.4156 0.3204 0.057 Uiso 1 1 calc R
H3 H 0.5221 0.5101 0.3445 0.057 Uiso 1 1 calc R
O3 O 0.50841(8) 0.74912(18) 0.30917(9) 0.0306(6) Uani 1 1 d .
C3 C 0.47142(12) 0.7085(3) 0.30508(12) 0.0281(8) Uani 1 1 d .
O4 O 0.53243(9) 0.62818(18) 0.18046(9) 0.0329(6) Uani 1 1 d .
C4 C 0.43094(13) 0.7601(3) 0.28405(14) 0.0364(9) Uani 1 1 d .
H4 H 0.4219 0.7391 0.2521 0.055 Uiso 1 1 calc R
H5 H 0.4379 0.8250 0.2837 0.055 Uiso 1 1 calc R
H6 H 0.4066 0.7500 0.3026 0.055 Uiso 1 1 calc R
P1 P 0.56874(3) 0.81882(6) 0.39475(3) 0.0270(2) Uani 1 1 d .
P2 P 0.62705(3) 0.40928(7) 0.19761(3) 0.0286(2) Uani 1 1 d .
C5 C 0.62623(13) 0.6587(3) 0.38271(13) 0.0321(8) Uani 1 1 d .
C6 C 0.66593(13) 0.6805(3) 0.36485(15) 0.0372(9) Uani 1 1 d .
C7 C 0.70676(15) 0.6528(3) 0.38891(17) 0.0487(11) Uani 1 1 d .
H7 H 0.7336 0.6695 0.3775 0.058 Uiso 1 1 calc R
C8 C 0.70874(17) 0.6017(4) 0.42890(19) 0.0573(14) Uani 1 1 d .
H8 H 0.7367 0.5827 0.4447 0.069 Uiso 1 1 calc R
C9 C 0.66977(18) 0.5782(3) 0.44600(16) 0.0504(12) Uani 1 1 d .
H9 H 0.6713 0.5415 0.4731 0.060 Uiso 1 1 calc R
C10 C 0.62805(14) 0.6074(3) 0.42415(14) 0.0377(9) Uani 1 1 d .
C11 C 0.66516(14) 0.7351(3) 0.32062(16) 0.0459(11) Uani 1 1 d .
H10 H 0.6473 0.7034 0.2949 0.069 Uiso 1 1 calc R
H11 H 0.6956 0.7427 0.3134 0.069 Uiso 1 1 calc R
H12 H 0.6521 0.7948 0.3249 0.069 Uiso 1 1 calc R
C12 C 0.58708(17) 0.5855(3) 0.44612(15) 0.0484(11) Uani 1 1 d .
H13 H 0.5788 0.5221 0.4399 0.073 Uiso 1 1 calc R
H14 H 0.5626 0.6250 0.4329 0.073 Uiso 1 1 calc R
H15 H 0.5932 0.5954 0.4798 0.073 Uiso 1 1 calc R
C13 C 0.61122(13) 0.5760(3) 0.13802(14) 0.0328(8) Uani 1 1 d .
C14 C 0.58950(14) 0.5616(3) 0.09275(14) 0.0383(9) Uani 1 1 d .
C15 C 0.60916(17) 0.5933(3) 0.05485(16) 0.0481(11) Uani 1 1 d .
H16 H 0.5949 0.5825 0.0241 0.058 Uiso 1 1 calc R
C16 C 0.64889(18) 0.6400(4) 0.06123(18) 0.0541(12) Uani 1 1 d .
H17 H 0.6618 0.6613 0.0352 0.065 Uiso 1 1 calc R
C17 C 0.66960(16) 0.6554(3) 0.10564(18) 0.0505(12) Uani 1 1 d .
H18 H 0.6967 0.6885 0.1100 0.061 Uiso 1 1 calc R
C18 C 0.65197(14) 0.6238(3) 0.14444(15) 0.0376(9) Uani 1 1 d .
C19 C 0.54556(16) 0.5113(3) 0.08443(16) 0.0468(11) Uani 1 1 d .
H19 H 0.5383 0.4976 0.0512 0.070 Uiso 1 1 calc R
H20 H 0.5220 0.5492 0.0944 0.070 Uiso 1 1 calc R
H21 H 0.5479 0.4547 0.1023 0.070 Uiso 1 1 calc R
C20 C 0.67712(15) 0.6405(3) 0.19219(17) 0.0474(11) Uani 1 1 d .
H22 H 0.6946 0.5866 0.2025 0.071 Uiso 1 1 calc R
H23 H 0.6560 0.6535 0.2141 0.071 Uiso 1 1 calc R
H24 H 0.6971 0.6924 0.1909 0.071 Uiso 1 1 calc R
C21 C 0.60265(13) 0.8235(3) 0.45177(13) 0.0299(8) Uani 1 1 d .
C22 C 0.64923(13) 0.8182(3) 0.45535(14) 0.0358(9) Uani 1 1 d .
H25 H 0.6631 0.8128 0.4280 0.043 Uiso 1 1 calc R
C23 C 0.67531(14) 0.8210(3) 0.49904(15) 0.0386(9) Uani 1 1 d .
H26 H 0.7069 0.8181 0.5018 0.046 Uiso 1 1 calc R
C24 C 0.65414(14) 0.8280(3) 0.53766(14) 0.0374(9) Uani 1 1 d .
C25 C 0.60860(15) 0.8315(3) 0.53583(14) 0.0403(9) Uani 1 1 d .
H27 H 0.5951 0.8351 0.5635 0.048 Uiso 1 1 calc R
C26 C 0.58282(13) 0.8295(3) 0.49237(14) 0.0346(8) Uani 1 1 d .
H28 H 0.5513 0.8322 0.4903 0.042 Uiso 1 1 calc R
F1 F 0.67940(9) 0.8315(2) 0.58058(9) 0.0515(7) Uani 1 1 d .
C27 C 0.51340(12) 0.8506(3) 0.40776(13) 0.0298(8) Uani 1 1 d .
C28 C 0.47992(13) 0.7865(3) 0.40727(14) 0.0356(9) Uani 1 1 d .
H29 H 0.4859 0.7248 0.4011 0.043 Uiso 1 1 calc R
C29 C 0.43753(15) 0.8123(3) 0.41585(17) 0.0483(11) Uani 1 1 d .
H30 H 0.4142 0.7691 0.4154 0.058 Uiso 1 1 calc R
C30 C 0.43057(15) 0.9019(4) 0.42502(18) 0.0506(12) Uani 1 1 d .
C31 C 0.46313(16) 0.9665(3) 0.42746(18) 0.0491(11) Uani 1 1 d .
H31 H 0.4573 1.0275 0.4353 0.059 Uiso 1 1 calc R
C32 C 0.50459(15) 0.9403(3) 0.41815(15) 0.0406(9) Uani 1 1 d .
H32 H 0.5276 0.9843 0.4188 0.049 Uiso 1 1 calc R
F2 F 0.38884(10) 0.9286(3) 0.43228(15) 0.0854(11) Uani 1 1 d .
C33 C 0.58527(13) 0.9172(3) 0.36277(14) 0.0335(8) Uani 1 1 d .
C34 C 0.61563(17) 0.9825(3) 0.38169(17) 0.0516(12) Uani 1 1 d .
H33 H 0.6303 0.9756 0.4126 0.062 Uiso 1 1 calc R
C35 C 0.6245(2) 1.0577(4) 0.3556(2) 0.0724(18) Uani 1 1 d .
H34 H 0.6449 1.1027 0.3685 0.087 Uiso 1 1 calc R
C36 C 0.6031(2) 1.0659(4) 0.3109(2) 0.0681(16) Uani 1 1 d .
C37 C 0.57322(19) 1.0038(3) 0.29116(17) 0.0544(13) Uani 1 1 d .
H35 H 0.5589 1.0114 0.2602 0.065 Uiso 1 1 calc R
C38 C 0.56415(16) 0.9293(3) 0.31713(15) 0.0434(10) Uani 1 1 d .
H36 H 0.5432 0.8855 0.3038 0.052 Uiso 1 1 calc R
F3 F 0.61167(17) 1.1394(3) 0.28567(15) 0.1158(18) Uani 1 1 d .
C39 C 0.65605(12) 0.3875(3) 0.25602(13) 0.0326(8) Uani 1 1 d .
C40 C 0.67462(16) 0.3021(3) 0.26764(17) 0.0459(11) Uani 1 1 d .
H37 H 0.6726 0.2557 0.2447 0.055 Uiso 1 1 calc R
C41 C 0.69580(18) 0.2847(4) 0.31185(18) 0.0574(14) Uani 1 1 d .
H38 H 0.7091 0.2275 0.3195 0.069 Uiso 1 1 calc R
C42 C 0.69707(18) 0.3526(4) 0.34458(17) 0.0570(14) Uani 1 1 d .
C43 C 0.67907(16) 0.4367(4) 0.33526(16) 0.0505(12) Uani 1 1 d .
H39 H 0.6803 0.4816 0.3589 0.061 Uiso 1 1 calc R
C44 C 0.65880(13) 0.4544(3) 0.28992(14) 0.0373(9) Uani 1 1 d .
H40 H 0.6468 0.5128 0.2823 0.045 Uiso 1 1 calc R
F4 F 0.71726(15) 0.3349(3) 0.38854(12) 0.0928(13) Uani 1 1 d .
C45 C 0.59422(13) 0.3058(3) 0.18523(13) 0.0317(8) Uani 1 1 d .
C46 C 0.61126(15) 0.2279(3) 0.16634(14) 0.0371(9) Uani 1 1 d .
H41 H 0.6400 0.2297 0.1568 0.045 Uiso 1 1 calc R
C47 C 0.58684(16) 0.1485(3) 0.16141(15) 0.0431(10) Uani 1 1 d .
H42 H 0.5986 0.0958 0.1488 0.052 Uiso 1 1 calc R
C48 C 0.54530(17) 0.1476(3) 0.17503(15) 0.0457(11) Uani 1 1 d .
C49 C 0.52673(16) 0.2226(3) 0.19314(16) 0.0451(10) Uani 1 1 d .
H43 H 0.4976 0.2200 0.2017 0.054 Uiso 1 1 calc R
C50 C 0.55134(14) 0.3016(3) 0.19858(15) 0.0392(9) Uani 1 1 d .
H44 H 0.5392 0.3537 0.2115 0.047 Uiso 1 1 calc R
F5 F 0.52179(12) 0.0690(2) 0.17139(11) 0.0660(9) Uani 1 1 d .
C51 C 0.67035(13) 0.4015(3) 0.15972(15) 0.0359(9) Uani 1 1 d .
C52 C 0.71504(15) 0.4159(3) 0.17719(18) 0.0494(11) Uani 1 1 d .
H45 H 0.7237 0.4244 0.2096 0.059 Uiso 1 1 calc R
C53 C 0.74687(18) 0.4179(4) 0.1467(2) 0.0663(16) Uani 1 1 d .
H46 H 0.7773 0.4288 0.1580 0.080 Uiso 1 1 calc R
C54 C 0.7334(2) 0.4037(4) 0.1004(2) 0.0664(17) Uani 1 1 d .
C55 C 0.6902(2) 0.3893(3) 0.08227(18) 0.0562(13) Uani 1 1 d .
H47 H 0.6823 0.3799 0.0498 0.067 Uiso 1 1 calc R
C56 C 0.65836(17) 0.3884(3) 0.11187(15) 0.0433(10) Uani 1 1 d .
H48 H 0.6280 0.3788 0.0997 0.052 Uiso 1 1 calc R
F6 F 0.76517(13) 0.4049(3) 0.07093(15) 0.1001(15) Uani 1 1 d .
O5 O -0.00072(17) 0.6855(3) 0.05589(17) 0.0852(13) Uiso 1 1 d .
C57 C 0.0071(3) 0.7800(5) 0.0587(3) 0.090(2) Uiso 1 1 d .
H49 H 0.0167 0.8020 0.0293 0.108 Uiso 1 1 calc R
H50 H 0.0310 0.7934 0.0845 0.108 Uiso 1 1 calc R
C58 C -0.0336(3) 0.8252(6) 0.0666(3) 0.102(2) Uiso 1 1 d .
H51 H -0.0310 0.8478 0.0990 0.123 Uiso 1 1 calc R
H52 H -0.0394 0.8775 0.0452 0.123 Uiso 1 1 calc R
C59 C -0.0693(4) 0.7608(8) 0.0583(4) 0.135(4) Uiso 1 1 d .
H53 H -0.0870 0.7706 0.0274 0.163 Uiso 1 1 calc R
H54 H -0.0892 0.7646 0.0826 0.163 Uiso 1 1 calc R
C60 C -0.0455(3) 0.6708(6) 0.0601(3) 0.092(2) Uiso 1 1 d .
H55 H -0.0481 0.6402 0.0900 0.110 Uiso 1 1 calc R
H56 H -0.0592 0.6314 0.0345 0.110 Uiso 1 1 calc R
C64 C 0.1790(5) 0.4186(10) 0.2266(5) 0.170(5) Uiso 1 1 d .
H64 H 0.1959 0.3652 0.2399 0.204 Uiso 1 1 calc R
H63 H 0.1493 0.4172 0.2371 0.204 Uiso 1 1 calc R
C63 C 0.1740(4) 0.4136(9) 0.1779(4) 0.148(4) Uiso 1 1 d .
H57 H 0.1422 0.4143 0.1647 0.178 Uiso 1 1 calc R
H58 H 0.1880 0.3579 0.1676 0.178 Uiso 1 1 calc R
C62 C 0.1978(3) 0.4980(6) 0.1634(3) 0.107(3) Uiso 1 1 d .
H60 H 0.2237 0.4801 0.1480 0.128 Uiso 1 1 calc R
H59 H 0.1773 0.5339 0.1410 0.128 Uiso 1 1 calc R
C61 C 0.2126(4) 0.5523(8) 0.2041(4) 0.125(3) Uiso 1 1 d .
H61 H 0.1970 0.6113 0.2025 0.150 Uiso 1 1 calc R
H62 H 0.2451 0.5633 0.2070 0.150 Uiso 1 1 calc R
O6 O 0.2016(4) 0.4991(8) 0.2430(4) 0.191(4) Uiso 1 1 d .
O7 O 0.1792(3) 0.6447(5) 0.4502(3) 0.142(2) Uiso 1 1 d .
C65 C 0.2264(2) 0.6406(5) 0.4517(3) 0.086(2) Uiso 1 1 d .
H65 H 0.2389 0.7021 0.4490 0.103 Uiso 1 1 calc R
H66 H 0.2346 0.6027 0.4259 0.103 Uiso 1 1 calc R
C66 C 0.2435(3) 0.5997(5) 0.4975(3) 0.087(2) Uiso 1 1 d .
H67 H 0.2542 0.5372 0.4934 0.105 Uiso 1 1 calc R
H68 H 0.2683 0.6361 0.5136 0.105 Uiso 1 1 calc R
C67 C 0.2054(3) 0.5993(7) 0.5243(3) 0.107(3) Uiso 1 1 d .
H69 H 0.2036 0.5403 0.5402 0.128 Uiso 1 1 calc R
H70 H 0.2091 0.6476 0.5483 0.128 Uiso 1 1 calc R
C68 C 0.1659(3) 0.6145(6) 0.4927(3) 0.103(2) Uiso 1 1 d .
H71 H 0.1485 0.5578 0.4877 0.124 Uiso 1 1 calc R
H72 H 0.1472 0.6609 0.5052 0.124 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C5 Pd1 O1 91.43(13) . .
C5 Pd1 O3 176.34(14) . .
O1 Pd1 O3 89.17(10) . .
C5 Pd1 P1 89.72(11) . .
O1 Pd1 P1 168.45(8) . .
O3 Pd1 P1 88.98(8) . .
C13 Pd2 O4 91.21(13) . .
C13 Pd2 O2 178.82(13) . .
O4 Pd2 O2 89.97(11) . .
C13 Pd2 P2 90.31(11) . .
O4 Pd2 P2 167.66(8) . .
O2 Pd2 P2 88.52(8) . .
C1 O1 Pd1 129.6(2) . .
O1 C1 O2 122.1(3) . .
O1 C1 C2 120.5(3) . .
O2 C1 C2 117.4(3) . .
C1 O2 Pd2 123.0(2) . .
C1 C2 H1 109.5 . .
C1 C2 H2 109.5 . .
H1 C2 H2 109.5 . .
C1 C2 H3 109.5 . .
H1 C2 H3 109.5 . .
H2 C2 H3 109.5 . .
C3 O3 Pd1 124.4(2) . .
O3 C3 O4 122.2(3) . 2_655
O3 C3 C4 117.6(3) . .
O4 C3 C4 120.1(3) 2_655 .
C3 O4 Pd2 132.6(2) 2_655 .
C3 C4 H4 109.5 . .
C3 C4 H5 109.5 . .
H4 C4 H5 109.5 . .
C3 C4 H6 109.5 . .
H4 C4 H6 109.5 . .
H5 C4 H6 109.5 . .
C21 P1 C33 105.62(18) . .
C21 P1 C27 102.97(17) . .
C33 P1 C27 102.86(18) . .
C21 P1 Pd1 122.57(13) . .
C33 P1 Pd1 107.58(13) . .
C27 P1 Pd1 113.36(13) . .
C51 P2 C39 104.52(19) . .
C51 P2 C45 104.21(19) . .
C39 P2 C45 102.47(18) . .
C51 P2 Pd2 118.78(13) . .
C39 P2 Pd2 113.99(14) . .
C45 P2 Pd2 111.19(13) . .
C6 C5 C10 119.7(4) . .
C6 C5 Pd1 119.0(3) . .
C10 C5 Pd1 121.3(3) . .
C7 C6 C5 119.5(4) . .
C7 C6 C11 119.4(4) . .
C5 C6 C11 121.1(4) . .
C8 C7 C6 121.0(5) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C9 119.7(4) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C8 C9 C10 121.4(5) . .
C8 C9 H9 119.3 . .
C10 C9 H9 119.3 . .
C9 C10 C5 118.5(4) . .
C9 C10 C12 119.2(4) . .
C5 C10 C12 122.3(4) . .
C6 C11 H10 109.5 . .
C6 C11 H11 109.5 . .
H10 C11 H11 109.5 . .
C6 C11 H12 109.5 . .
H10 C11 H12 109.5 . .
H11 C11 H12 109.5 . .
C10 C12 H13 109.5 . .
C10 C12 H14 109.5 . .
H13 C12 H14 109.5 . .
C10 C12 H15 109.5 . .
H13 C12 H15 109.5 . .
H14 C12 H15 109.5 . .
C14 C13 C18 119.4(4) . .
C14 C13 Pd2 119.9(3) . .
C18 C13 Pd2 120.7(3) . .
C15 C14 C13 119.2(4) . .
C15 C14 C19 119.8(4) . .
C13 C14 C19 121.0(4) . .
C16 C15 C14 121.2(5) . .
C16 C15 H16 119.4 . .
C14 C15 H16 119.4 . .
C17 C16 C15 119.3(4) . .
C17 C16 H17 120.3 . .
C15 C16 H17 120.3 . .
C16 C17 C18 121.7(5) . .
C16 C17 H18 119.1 . .
C18 C17 H18 119.1 . .
C17 C18 C13 119.1(4) . .
C17 C18 C20 119.0(4) . .
C13 C18 C20 121.9(4) . .
C14 C19 H19 109.5 . .
C14 C19 H20 109.5 . .
H19 C19 H20 109.5 . .
C14 C19 H21 109.5 . .
H19 C19 H21 109.5 . .
H20 C19 H21 109.5 . .
C18 C20 H22 109.5 . .
C18 C20 H23 109.5 . .
H22 C20 H23 109.5 . .
C18 C20 H24 109.5 . .
H22 C20 H24 109.5 . .
H23 C20 H24 109.5 . .
C26 C21 C22 119.0(3) . .
C26 C21 P1 120.8(3) . .
C22 C21 P1 120.2(3) . .
C23 C22 C21 120.3(4) . .
C23 C22 H25 119.8 . .
C21 C22 H25 119.8 . .
C24 C23 C22 118.2(4) . .
C24 C23 H26 120.9 . .
C22 C23 H26 120.9 . .
C23 C24 F1 118.6(4) . .
C23 C24 C25 123.4(4) . .
F1 C24 C25 118.0(4) . .
C24 C25 C26 118.3(4) . .
C24 C25 H27 120.9 . .
C26 C25 H27 120.9 . .
C25 C26 C21 120.8(4) . .
C25 C26 H28 119.6 . .
C21 C26 H28 119.6 . .
C28 C27 C32 119.3(4) . .
C28 C27 P1 120.9(3) . .
C32 C27 P1 119.7(3) . .
C27 C28 C29 120.3(4) . .
C27 C28 H29 119.9 . .
C29 C28 H29 119.9 . .
C30 C29 C28 117.8(4) . .
C30 C29 H30 121.1 . .
C28 C29 H30 121.1 . .
C31 C30 F2 117.9(5) . .
C31 C30 C29 123.6(4) . .
F2 C30 C29 118.5(5) . .
C30 C31 C32 117.8(4) . .
C30 C31 H31 121.1 . .
C32 C31 H31 121.1 . .
C31 C32 C27 121.1(4) . .
C31 C32 H32 119.5 . .
C27 C32 H32 119.5 . .
C34 C33 C38 118.5(4) . .
C34 C33 P1 124.2(3) . .
C38 C33 P1 117.3(3) . .
C35 C34 C33 120.3(4) . .
C35 C34 H33 119.9 . .
C33 C34 H33 119.9 . .
C36 C35 C34 118.9(5) . .
C36 C35 H34 120.6 . .
C34 C35 H34 120.6 . .
F3 C36 C37 118.5(5) . .
F3 C36 C35 118.7(5) . .
C37 C36 C35 122.7(5) . .
C36 C37 C38 118.5(5) . .
C36 C37 H35 120.8 . .
C38 C37 H35 120.8 . .
C37 C38 C33 121.1(4) . .
C37 C38 H36 119.4 . .
C33 C38 H36 119.4 . .
C44 C39 C40 119.0(4) . .
C44 C39 P2 120.4(3) . .
C40 C39 P2 120.5(3) . .
C41 C40 C39 120.8(4) . .
C41 C40 H37 119.6 . .
C39 C40 H37 119.6 . .
C42 C41 C40 118.1(5) . .
C42 C41 H38 120.9 . .
C40 C41 H38 120.9 . .
F4 C42 C43 118.4(5) . .
F4 C42 C41 118.2(5) . .
C43 C42 C41 123.4(4) . .
C42 C43 C44 117.9(4) . .
C42 C43 H39 121.0 . .
C44 C43 H39 121.0 . .
C39 C44 C43 120.6(4) . .
C39 C44 H40 119.7 . .
C43 C44 H40 119.7 . .
C46 C45 C50 118.3(4) . .
C46 C45 P2 122.8(3) . .
C50 C45 P2 118.7(3) . .
C47 C46 C45 121.0(4) . .
C47 C46 H41 119.5 . .
C45 C46 H41 119.5 . .
C48 C47 C46 118.6(4) . .
C48 C47 H42 120.7 . .
C46 C47 H42 120.7 . .
F5 C48 C47 118.6(4) . .
F5 C48 C49 118.6(4) . .
C47 C48 C49 122.7(4) . .
C48 C49 C50 118.7(4) . .
C48 C49 H43 120.7 . .
C50 C49 H43 120.7 . .
C49 C50 C45 120.7(4) . .
C49 C50 H44 119.7 . .
C45 C50 H44 119.7 . .
C52 C51 C56 119.4(4) . .
C52 C51 P2 120.9(3) . .
C56 C51 P2 119.5(3) . .
C53 C52 C51 119.6(5) . .
C53 C52 H45 120.2 . .
C51 C52 H45 120.2 . .
C54 C53 C52 118.6(5) . .
C54 C53 H46 120.7 . .
C52 C53 H46 120.7 . .
C55 C54 C53 123.3(5) . .
C55 C54 F6 118.7(6) . .
C53 C54 F6 118.0(6) . .
C54 C55 C56 118.7(5) . .
C54 C55 H47 120.6 . .
C56 C55 H47 120.6 . .
C55 C56 C51 120.4(5) . .
C55 C56 H48 119.8 . .
C51 C56 H48 119.8 . .
C60 O5 C57 107.7(6) . .
O5 C57 C58 108.9(7) . .
O5 C57 H49 109.9 . .
C58 C57 H49 109.9 . .
O5 C57 H50 109.9 . .
C58 C57 H50 109.9 . .
H49 C57 H50 108.3 . .
C59 C58 C57 107.8(8) . .
C59 C58 H51 110.1 . .
C57 C58 H51 110.1 . .
C59 C58 H52 110.1 . .
C57 C58 H52 110.1 . .
H51 C58 H52 108.5 . .
C58 C59 C60 103.3(9) . .
C58 C59 H53 111.1 . .
C60 C59 H53 111.1 . .
C58 C59 H54 111.1 . .
C60 C59 H54 111.1 . .
H53 C59 H54 109.1 . .
O5 C60 C59 109.1(7) . .
O5 C60 H55 109.9 . .
C59 C60 H55 109.9 . .
O5 C60 H56 109.9 . .
C59 C60 H56 109.9 . .
H55 C60 H56 108.3 . .
C63 C64 O6 111.3(13) . .
C63 C64 H64 109.4 . .
O6 C64 H64 109.4 . .
C63 C64 H63 109.4 . .
O6 C64 H63 109.4 . .
H64 C64 H63 108.0 . .
C64 C63 C62 104.2(11) . .
C64 C63 H57 110.9 . .
C62 C63 H57 110.9 . .
C64 C63 H58 110.9 . .
C62 C63 H58 110.9 . .
H57 C63 H58 108.9 . .
C61 C62 C63 109.5(9) . .
C61 C62 H60 109.8 . .
C63 C62 H60 109.8 . .
C61 C62 H59 109.8 . .
C63 C62 H59 109.8 . .
H60 C62 H59 108.2 . .
C62 C61 O6 104.8(9) . .
C62 C61 H61 110.8 . .
O6 C61 H61 110.8 . .
C62 C61 H62 110.8 . .
O6 C61 H62 110.8 . .
H61 C61 H62 108.9 . .
C64 O6 C61 110.1(11) . .
C68 O7 C65 111.2(7) . .
O7 C65 C66 105.6(6) . .
O7 C65 H65 110.6 . .
C66 C65 H65 110.6 . .
O7 C65 H66 110.6 . .
C66 C65 H66 110.6 . .
H65 C65 H66 108.7 . .
C67 C66 C65 105.7(7) . .
C67 C66 H67 110.6 . .
C65 C66 H67 110.6 . .
C67 C66 H68 110.6 . .
C65 C66 H68 110.6 . .
H67 C66 H68 108.7 . .
C68 C67 C66 108.0(8) . .
C68 C67 H69 110.1 . .
C66 C67 H69 110.1 . .
C68 C67 H70 110.1 . .
C66 C67 H70 110.1 . .
H69 C67 H70 108.4 . .
O7 C68 C67 107.3(8) . .
O7 C68 H71 110.3 . .
C67 C68 H71 110.3 . .
O7 C68 H72 110.3 . .
C67 C68 H72 110.3 . .
H71 C68 H72 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C5 1.997(4) .
Pd1 O1 2.110(3) .
Pd1 O3 2.132(3) .
Pd1 P1 2.2269(10) .
Pd2 C13 2.004(4) .
Pd2 O4 2.098(3) .
Pd2 O2 2.135(3) .
Pd2 P2 2.2304(10) .
O1 C1 1.261(5) .
C1 O2 1.266(5) .
C1 C2 1.498(5) .
C2 H1 0.9800 .
C2 H2 0.9800 .
C2 H3 0.9800 .
O3 C3 1.263(4) .
C3 O4 1.267(5) 2_655
C3 C4 1.502(5) .
O4 C3 1.267(5) 2_655
C4 H4 0.9800 .
C4 H5 0.9800 .
C4 H6 0.9800 .
P1 C21 1.826(4) .
P1 C33 1.828(4) .
P1 C27 1.829(4) .
P2 C51 1.825(4) .
P2 C39 1.828(4) .
P2 C45 1.831(4) .
C5 C6 1.410(6) .
C5 C10 1.414(6) .
C6 C7 1.398(6) .
C6 C11 1.512(6) .
C7 C8 1.377(8) .
C7 H7 0.9500 .
C8 C9 1.385(8) .
C8 H8 0.9500 .
C9 C10 1.404(6) .
C9 H9 0.9500 .
C10 C12 1.505(7) .
C11 H10 0.9800 .
C11 H11 0.9800 .
C11 H12 0.9800 .
C12 H13 0.9800 .
C12 H14 0.9800 .
C12 H15 0.9800 .
C13 C14 1.403(6) .
C13 C18 1.412(6) .
C14 C15 1.399(6) .
C14 C19 1.515(6) .
C15 C16 1.378(8) .
C15 H16 0.9500 .
C16 C17 1.373(8) .
C16 H17 0.9500 .
C17 C18 1.389(6) .
C17 H18 0.9500 .
C18 C20 1.508(6) .
C19 H19 0.9800 .
C19 H20 0.9800 .
C19 H21 0.9800 .
C20 H22 0.9800 .
C20 H23 0.9800 .
C20 H24 0.9800 .
C21 C26 1.394(5) .
C21 C22 1.404(6) .
C22 C23 1.400(6) .
C22 H25 0.9500 .
C23 C24 1.367(6) .
C23 H26 0.9500 .
C24 F1 1.371(5) .
C24 C25 1.375(6) .
C25 C26 1.391(6) .
C25 H27 0.9500 .
C26 H28 0.9500 .
C27 C28 1.385(6) .
C27 C32 1.392(6) .
C28 C29 1.394(6) .
C28 H29 0.9500 .
C29 C30 1.371(7) .
C29 H30 0.9500 .
C30 C31 1.367(7) .
C30 F2 1.368(5) .
C31 C32 1.376(6) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C34 1.393(6) .
C33 C38 1.401(6) .
C34 C35 1.388(7) .
C34 H33 0.9500 .
C35 C36 1.373(8) .
C35 H34 0.9500 .
C36 F3 1.353(6) .
C36 C37 1.360(7) .
C37 C38 1.380(6) .
C37 H35 0.9500 .
C38 H36 0.9500 .
C39 C44 1.387(6) .
C39 C40 1.402(6) .
C40 C41 1.378(7) .
C40 H37 0.9500 .
C41 C42 1.377(8) .
C41 H38 0.9500 .
C42 F4 1.362(5) .
C42 C43 1.367(8) .
C43 C44 1.398(6) .
C43 H39 0.9500 .
C44 H40 0.9500 .
C45 C46 1.401(6) .
C45 C50 1.406(6) .
C46 C47 1.383(6) .
C46 H41 0.9500 .
C47 C48 1.369(7) .
C47 H42 0.9500 .
C48 F5 1.358(5) .
C48 C49 1.376(7) .
C49 C50 1.382(6) .
C49 H43 0.9500 .
C50 H44 0.9500 .
C51 C52 1.397(6) .
C51 C56 1.399(6) .
C52 C53 1.393(7) .
C52 H45 0.9500 .
C53 C54 1.365(9) .
C53 H46 0.9500 .
C54 C55 1.361(9) .
C54 F6 1.370(5) .
C55 C56 1.376(6) .
C55 H47 0.9500 .
C56 H48 0.9500 .
O5 C60 1.396(9) .
O5 C57 1.415(9) .
C57 C58 1.448(11) .
C57 H49 0.9900 .
C57 H50 0.9900 .
C58 C59 1.437(13) .
C58 H51 0.9900 .
C58 H52 0.9900 .
C59 C60 1.508(13) .
C59 H53 0.9900 .
C59 H54 0.9900 .
C60 H55 0.9900 .
C60 H56 0.9900 .
C64 C63 1.399(15) .
C64 O6 1.422(15) .
C64 H64 0.9900 .
C64 H63 0.9900 .
C63 C62 1.526(14) .
C63 H57 0.9900 .
C63 H58 0.9900 .
C62 C61 1.446(12) .
C62 H60 0.9900 .
C62 H59 0.9900 .
C61 O6 1.448(13) .
C61 H61 0.9900 .
C61 H62 0.9900 .
O7 C68 1.416(10) .
O7 C65 1.429(10) .
C65 C66 1.486(10) .
C65 H65 0.9900 .
C65 H66 0.9900 .
C66 C67 1.476(11) .
C66 H67 0.9900 .
C66 H68 0.9900 .
C67 C68 1.425(11) .
C67 H69 0.9900 .
C67 H70 0.9900 .
C68 H71 0.9900 .
C68 H72 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C5 Pd1 O1 C1 93.6(3) .
O3 Pd1 O1 C1 -90.0(3) .
P1 Pd1 O1 C1 -170.8(3) .
Pd1 O1 C1 O2 163.9(2) .
Pd1 O1 C1 C2 -18.8(5) .
O1 C1 O2 Pd2 8.9(5) .
C2 C1 O2 Pd2 -168.5(3) .
C13 Pd2 O2 C1 109(7) .
O4 Pd2 O2 C1 -75.0(3) .
P2 Pd2 O2 C1 117.3(3) .
C5 Pd1 O3 C3 173(2) .
O1 Pd1 O3 C3 74.1(3) .
P1 Pd1 O3 C3 -117.3(3) .
Pd1 O3 C3 O4 -8.3(5) 2_655
Pd1 O3 C3 C4 169.1(2) .
C13 Pd2 O4 C3 -90.8(3) 2_655
O2 Pd2 O4 C3 89.3(3) 2_655
P2 Pd2 O4 C3 172.2(3) 2_655
C5 Pd1 P1 C21 -19.73(19) .
O1 Pd1 P1 C21 -115.5(4) .
O3 Pd1 P1 C21 163.68(17) .
C5 Pd1 P1 C33 102.78(18) .
O1 Pd1 P1 C33 7.0(4) .
O3 Pd1 P1 C33 -73.80(16) .
C5 Pd1 P1 C27 -144.20(18) .
O1 Pd1 P1 C27 120.0(4) .
O3 Pd1 P1 C27 39.22(15) .
C13 Pd2 P2 C51 6.2(2) .
O4 Pd2 P2 C51 103.3(4) .
O2 Pd2 P2 C51 -173.62(18) .
C13 Pd2 P2 C39 130.10(18) .
O4 Pd2 P2 C39 -132.8(4) .
O2 Pd2 P2 C39 -49.72(15) .
C13 Pd2 P2 C45 -114.68(18) .
O4 Pd2 P2 C45 -17.6(4) .
O2 Pd2 P2 C45 65.50(15) .
O1 Pd1 C5 C6 71.5(3) .
O3 Pd1 C5 C6 -28(2) .
P1 Pd1 C5 C6 -97.0(3) .
O1 Pd1 C5 C10 -107.3(3) .
O3 Pd1 C5 C10 153.4(19) .
P1 Pd1 C5 C10 84.2(3) .
C10 C5 C6 C7 -1.3(6) .
Pd1 C5 C6 C7 179.9(3) .
C10 C5 C6 C11 180.0(4) .
Pd1 C5 C6 C11 1.2(5) .
C5 C6 C7 C8 2.3(7) .
C11 C6 C7 C8 -178.9(4) .
C6 C7 C8 C9 -0.8(7) .
C7 C8 C9 C10 -1.8(7) .
C8 C9 C10 C5 2.8(7) .
C8 C9 C10 C12 -175.6(4) .
C6 C5 C10 C9 -1.2(6) .
Pd1 C5 C10 C9 177.6(3) .
C6 C5 C10 C12 177.2(4) .
Pd1 C5 C10 C12 -4.1(5) .
O4 Pd2 C13 C14 -69.0(3) .
O2 Pd2 C13 C14 107(7) .
P2 Pd2 C13 C14 98.8(3) .
O4 Pd2 C13 C18 109.4(3) .
O2 Pd2 C13 C18 -74(7) .
P2 Pd2 C13 C18 -82.9(3) .
C18 C13 C14 C15 1.3(6) .
Pd2 C13 C14 C15 179.7(3) .
C18 C13 C14 C19 -179.5(4) .
Pd2 C13 C14 C19 -1.2(5) .
C13 C14 C15 C16 -1.4(7) .
C19 C14 C15 C16 179.4(4) .
C14 C15 C16 C17 0.2(7) .
C15 C16 C17 C18 1.1(7) .
C16 C17 C18 C13 -1.2(7) .
C16 C17 C18 C20 178.2(4) .
C14 C13 C18 C17 0.0(6) .
Pd2 C13 C18 C17 -178.4(3) .
C14 C13 C18 C20 -179.4(4) .
Pd2 C13 C18 C20 2.2(5) .
C33 P1 C21 C26 120.4(3) .
C27 P1 C21 C26 12.8(4) .
Pd1 P1 C21 C26 -116.2(3) .
C33 P1 C21 C22 -61.6(4) .
C27 P1 C21 C22 -169.2(3) .
Pd1 P1 C21 C22 61.8(4) .
C26 C21 C22 C23 -1.4(6) .
P1 C21 C22 C23 -179.4(3) .
C21 C22 C23 C24 0.6(6) .
C22 C23 C24 F1 -179.5(4) .
C22 C23 C24 C25 0.8(7) .
C23 C24 C25 C26 -1.3(7) .
F1 C24 C25 C26 179.0(4) .
C24 C25 C26 C21 0.4(7) .
C22 C21 C26 C25 0.9(6) .
P1 C21 C26 C25 178.9(3) .
C21 P1 C27 C28 -106.8(3) .
C33 P1 C27 C28 143.5(3) .
Pd1 P1 C27 C28 27.7(4) .
C21 P1 C27 C32 73.4(3) .
C33 P1 C27 C32 -36.2(4) .
Pd1 P1 C27 C32 -152.1(3) .
C32 C27 C28 C29 1.7(6) .
P1 C27 C28 C29 -178.0(3) .
C27 C28 C29 C30 -0.5(7) .
C28 C29 C30 C31 -1.9(8) .
C28 C29 C30 F2 178.3(4) .
F2 C30 C31 C32 -177.2(5) .
C29 C30 C31 C32 3.0(8) .
C30 C31 C32 C27 -1.6(7) .
C28 C27 C32 C31 -0.6(6) .
P1 C27 C32 C31 179.1(4) .
C21 P1 C33 C34 -3.8(5) .
C27 P1 C33 C34 103.8(4) .
Pd1 P1 C33 C34 -136.3(4) .
C21 P1 C33 C38 179.5(3) .
C27 P1 C33 C38 -72.8(4) .
Pd1 P1 C33 C38 47.1(4) .
C38 C33 C34 C35 0.1(8) .
P1 C33 C34 C35 -176.5(5) .
C33 C34 C35 C36 -0.6(10) .
C34 C35 C36 F3 179.8(7) .
C34 C35 C36 C37 0.6(11) .
F3 C36 C37 C38 -179.3(6) .
C35 C36 C37 C38 -0.1(11) .
C36 C37 C38 C33 -0.4(9) .
C34 C33 C38 C37 0.4(7) .
P1 C33 C38 C37 177.2(4) .
C51 P2 C39 C44 115.9(3) .
C45 P2 C39 C44 -135.6(3) .
Pd2 P2 C39 C44 -15.4(4) .
C51 P2 C39 C40 -66.1(4) .
C45 P2 C39 C40 42.4(4) .
Pd2 P2 C39 C40 162.6(3) .
C44 C39 C40 C41 -0.8(7) .
P2 C39 C40 C41 -178.8(4) .
C39 C40 C41 C42 1.8(8) .
C40 C41 C42 F4 178.8(5) .
C40 C41 C42 C43 -1.1(9) .
F4 C42 C43 C44 179.4(5) .
C41 C42 C43 C44 -0.7(8) .
C40 C39 C44 C43 -1.1(6) .
P2 C39 C44 C43 176.9(3) .
C42 C43 C44 C39 1.8(7) .
C51 P2 C45 C46 22.6(4) .
C39 P2 C45 C46 -86.1(4) .
Pd2 P2 C45 C46 151.7(3) .
C51 P2 C45 C50 -162.5(3) .
C39 P2 C45 C50 88.7(4) .
Pd2 P2 C45 C50 -33.4(4) .
C50 C45 C46 C47 -0.8(6) .
P2 C45 C46 C47 174.1(3) .
C45 C46 C47 C48 0.5(6) .
C46 C47 C48 F5 -178.2(4) .
C46 C47 C48 C49 0.4(7) .
F5 C48 C49 C50 177.5(4) .
C47 C48 C49 C50 -1.2(7) .
C48 C49 C50 C45 0.9(7) .
C46 C45 C50 C49 0.0(6) .
P2 C45 C50 C49 -175.1(4) .
C39 P2 C51 C52 -23.9(4) .
C45 P2 C51 C52 -131.1(4) .
Pd2 P2 C51 C52 104.5(3) .
C39 P2 C51 C56 161.5(3) .
C45 P2 C51 C56 54.3(4) .
Pd2 P2 C51 C56 -70.1(4) .
C56 C51 C52 C53 0.6(7) .
P2 C51 C52 C53 -174.1(4) .
C51 C52 C53 C54 -1.3(8) .
C52 C53 C54 C55 1.1(9) .
C52 C53 C54 F6 -179.4(5) .
C53 C54 C55 C56 -0.3(8) .
F6 C54 C55 C56 -179.8(4) .
C54 C55 C56 C51 -0.5(7) .
C52 C51 C56 C55 0.3(7) .
P2 C51 C56 C55 175.0(3) .
C60 O5 C57 C58 2.2(9) .
O5 C57 C58 C59 -12.9(10) .
C57 C58 C59 C60 17.2(11) .
C57 O5 C60 C59 8.9(9) .
C58 C59 C60 O5 -16.3(10) .
O6 C64 C63 C62 2.5(16) .
C64 C63 C62 C61 -4.4(14) .
C63 C62 C61 O6 4.5(12) .
C63 C64 O6 C61 0.3(17) .
C62 C61 O6 C64 -3.0(14) .
C68 O7 C65 C66 3.5(10) .
O7 C65 C66 C67 -11.3(9) .
C65 C66 C67 C68 15.3(10) .
C65 O7 C68 C67 6.1(11) .
C66 C67 C68 O7 -13.3(11) .
