# Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is (c) The Royal Society of Chemistry 2008


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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_gui23
_database_code_depnum_ccdc_archive 'CCDC 664580'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C51 H51 N3 Pd, F6 P, C4 H10 O'
_chemical_formula_sum            'C55 H61 N3 O F6 P2 Pd'
_chemical_formula_weight         1062.41
_chemical_absolute_configuration ad

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   14.3877(7)
_cell_length_b                   16.3592(7)
_cell_length_c                   21.4727(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5054.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8058
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      32.10

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.31
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2200
_exptl_absorpt_coefficient_mu    0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7559
_exptl_absorpt_correction_T_max  0.8617
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            109336
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         32.50
_reflns_number_total             18274
_reflns_number_gt                17202
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0465P)^2^+0.2320P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.030(10)
_refine_ls_number_reflns         18274
_refine_ls_number_parameters     624
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0333
_refine_ls_wR_factor_ref         0.0777
_refine_ls_wR_factor_gt          0.0761
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd 0.848081(7) 0.470270(7) 0.235943(5) 0.01153(3) Uani 1 1 d . . .
C1 C 0.95451(11) 0.50009(10) 0.28985(8) 0.0149(3) Uani 1 1 d . . .
C2 C 1.01213(12) 0.56933(10) 0.28260(8) 0.0164(3) Uani 1 1 d . . .
H2 H 0.9968 0.6098 0.2526 0.020 Uiso 1 1 calc R . .
C3 C 1.09023(12) 0.57849(11) 0.31868(8) 0.0184(3) Uani 1 1 d . . .
H3 H 1.1269 0.6265 0.3146 0.022 Uiso 1 1 calc R . .
C4 C 1.11676(11) 0.51760(11) 0.36171(8) 0.0175(3) Uani 1 1 d . . .
C5 C 1.20010(12) 0.52497(14) 0.39728(8) 0.0242(4) Uani 1 1 d . . .
H5 H 1.2361 0.5735 0.3941 0.029 Uiso 1 1 calc R . .
C6 C 1.22896(12) 0.46363(15) 0.43574(8) 0.0265(4) Uani 1 1 d . . .
H6 H 1.2845 0.4697 0.4592 0.032 Uiso 1 1 calc R . .
C7 C 1.17625(14) 0.39119(14) 0.44059(9) 0.0271(4) Uani 1 1 d . . .
H7 H 1.1975 0.3478 0.4664 0.033 Uiso 1 1 calc R . .
C8 C 1.09442(14) 0.38296(12) 0.40830(9) 0.0232(4) Uani 1 1 d . . .
H8 H 1.0587 0.3345 0.4130 0.028 Uiso 1 1 calc R . .
C9 C 1.06226(12) 0.44577(11) 0.36795(8) 0.0173(3) Uani 1 1 d . . .
C10 C 0.97868(12) 0.44009(10) 0.33221(8) 0.0164(3) Uani 1 1 d . . .
C11 C 0.91212(13) 0.36911(11) 0.33717(9) 0.0210(3) Uani 1 1 d . . .
H11 H 0.9457 0.3206 0.3545 0.025 Uiso 1 1 calc R . .
C12 C 0.83105(14) 0.39033(14) 0.37943(9) 0.0286(4) Uani 1 1 d . . .
H12A H 0.8546 0.4075 0.4202 0.043 Uiso 1 1 calc R . .
H12B H 0.7912 0.3422 0.3845 0.043 Uiso 1 1 calc R . .
H12C H 0.7950 0.4349 0.3608 0.043 Uiso 1 1 calc R . .
N1 N 0.88214(10) 0.35097(8) 0.27098(7) 0.0187(3) Uani 1 1 d . . .
C13 C 0.96081(13) 0.31035(11) 0.23909(11) 0.0282(4) Uani 1 1 d . . .
H13A H 0.9770 0.2600 0.2613 0.042 Uiso 1 1 calc R . .
H13B H 1.0146 0.3471 0.2386 0.042 Uiso 1 1 calc R . .
H13C H 0.9429 0.2970 0.1962 0.042 Uiso 1 1 calc R . .
C14 C 0.80101(13) 0.29511(11) 0.26960(11) 0.0262(4) Uani 1 1 d . . .
H14A H 0.7875 0.2798 0.2264 0.039 Uiso 1 1 calc R . .
H14B H 0.7469 0.3228 0.2876 0.039 Uiso 1 1 calc R . .
H14C H 0.8151 0.2459 0.2939 0.039 Uiso 1 1 calc R . .
N2 N 0.74036(9) 0.43852(8) 0.16720(6) 0.0130(2) Uani 1 1 d . . .
C15 C 0.76469(12) 0.42017(10) 0.10656(8) 0.0161(3) Uani 1 1 d . . .
C16 C 0.86215(12) 0.38982(11) 0.09451(8) 0.0212(3) Uani 1 1 d . . .
H16 H 0.9012 0.4005 0.1322 0.025 Uiso 1 1 calc R . .
C17 C 0.85662(15) 0.29692(13) 0.08355(11) 0.0322(4) Uani 1 1 d . . .
H17A H 0.8255 0.2709 0.1190 0.048 Uiso 1 1 calc R . .
H17B H 0.9195 0.2747 0.0793 0.048 Uiso 1 1 calc R . .
H17C H 0.8213 0.2861 0.0454 0.048 Uiso 1 1 calc R . .
C18 C 0.90604(15) 0.43232(16) 0.03844(10) 0.0345(5) Uani 1 1 d . . .
H18A H 0.8690 0.4209 0.0011 0.052 Uiso 1 1 calc R . .
H18B H 0.9694 0.4119 0.0324 0.052 Uiso 1 1 calc R . .
H18C H 0.9078 0.4914 0.0458 0.052 Uiso 1 1 calc R . .
N3 N 0.70894(11) 0.42459(9) 0.05865(7) 0.0186(3) Uani 1 1 d . . .
C19 C 0.61951(13) 0.44891(10) 0.06880(8) 0.0180(3) Uani 1 1 d . . .
C20 C 0.55926(14) 0.45809(11) 0.01749(8) 0.0238(4) Uani 1 1 d . . .
H20 H 0.5813 0.4480 -0.0235 0.029 Uiso 1 1 calc R . .
C21 C 0.46957(15) 0.48137(13) 0.02676(9) 0.0285(4) Uani 1 1 d . . .
H21 H 0.4288 0.4857 -0.0079 0.034 Uiso 1 1 calc R . .
C22 C 0.43607(14) 0.49924(13) 0.08683(10) 0.0268(4) Uani 1 1 d . . .
H22 H 0.3736 0.5166 0.0922 0.032 Uiso 1 1 calc R . .
C23 C 0.49299(13) 0.49171(11) 0.13743(9) 0.0208(3) Uani 1 1 d . . .
H23 H 0.4702 0.5039 0.1779 0.025 Uiso 1 1 calc R . .
C24 C 0.58650(11) 0.46548(11) 0.12926(7) 0.0164(3) Uani 1 1 d . . .
C25 C 0.65265(11) 0.45956(9) 0.17828(7) 0.0134(3) Uani 1 1 d . . .
C26 C 0.62802(10) 0.48450(9) 0.24289(7) 0.0132(3) Uani 1 1 d . . .
C27 C 0.55764(11) 0.44184(10) 0.27616(8) 0.0157(3) Uani 1 1 d . . .
C28 C 0.51416(12) 0.37019(10) 0.25243(8) 0.0189(3) Uani 1 1 d . . .
H28 H 0.5337 0.3480 0.2137 0.023 Uiso 1 1 calc R . .
C29 C 0.44454(13) 0.33323(12) 0.28507(10) 0.0242(4) Uani 1 1 d . . .
H29 H 0.4155 0.2859 0.2684 0.029 Uiso 1 1 calc R . .
C30 C 0.41482(14) 0.36394(12) 0.34315(10) 0.0262(4) Uani 1 1 d . . .
H30 H 0.3645 0.3388 0.3644 0.031 Uiso 1 1 calc R . .
C31 C 0.45881(13) 0.43013(12) 0.36871(9) 0.0226(3) Uani 1 1 d . . .
H31 H 0.4408 0.4491 0.4088 0.027 Uiso 1 1 calc R . .
C32 C 0.53086(11) 0.47063(11) 0.33605(7) 0.0168(3) Uani 1 1 d . . .
C33 C 0.57533(12) 0.53982(11) 0.36074(8) 0.0190(3) Uani 1 1 d . . .
H33 H 0.5573 0.5596 0.4006 0.023 Uiso 1 1 calc R . .
C34 C 0.64399(12) 0.57927(10) 0.32866(7) 0.0174(3) Uani 1 1 d . . .
H34 H 0.6729 0.6259 0.3466 0.021 Uiso 1 1 calc R . .
C35 C 0.67266(10) 0.55185(9) 0.26920(8) 0.0138(3) Uani 1 1 d . . .
P1 P 0.77777(3) 0.59289(2) 0.23231(2) 0.01210(7) Uani 1 1 d . . .
C36 C 0.74415(12) 0.62933(9) 0.15606(7) 0.0141(3) Uani 1 1 d . . .
C37 C 0.65288(13) 0.65267(9) 0.14297(8) 0.0165(3) Uani 1 1 d . . .
H37 H 0.6067 0.6496 0.1745 0.020 Uiso 1 1 calc R . .
C38 C 0.62932(12) 0.68050(10) 0.08354(8) 0.0193(3) Uani 1 1 d . . .
C42 C 0.53082(14) 0.70417(13) 0.06770(10) 0.0284(4) Uani 1 1 d . . .
H42A H 0.5304 0.7586 0.0486 0.043 Uiso 1 1 calc R . .
H42B H 0.4933 0.7050 0.1058 0.043 Uiso 1 1 calc R . .
H42C H 0.5048 0.6643 0.0384 0.043 Uiso 1 1 calc R . .
C39 C 0.69854(14) 0.68545(11) 0.03890(8) 0.0208(3) Uani 1 1 d . . .
H39 H 0.6832 0.7059 -0.0012 0.025 Uiso 1 1 calc R . .
C40 C 0.78958(13) 0.66164(12) 0.05062(8) 0.0213(3) Uani 1 1 d . . .
C43 C 0.86155(15) 0.66513(16) 0.00021(10) 0.0364(5) Uani 1 1 d . . .
H43A H 0.8536 0.6184 -0.0278 0.055 Uiso 1 1 calc R . .
H43B H 0.9237 0.6632 0.0189 0.055 Uiso 1 1 calc R . .
H43C H 0.8544 0.7160 -0.0234 0.055 Uiso 1 1 calc R . .
C41 C 0.81219(12) 0.63331(11) 0.11002(8) 0.0180(3) Uani 1 1 d . . .
H41 H 0.8740 0.6167 0.1191 0.022 Uiso 1 1 calc R . .
C44 C 0.80571(11) 0.68360(10) 0.27721(7) 0.0144(3) Uani 1 1 d . . .
C45 C 0.83787(12) 0.67532(10) 0.33822(8) 0.0174(3) Uani 1 1 d . . .
H45 H 0.8532 0.6227 0.3540 0.021 Uiso 1 1 calc R . .
C46 C 0.84758(13) 0.74403(10) 0.37615(8) 0.0191(3) Uani 1 1 d . . .
C50 C 0.87758(16) 0.73492(12) 0.44300(9) 0.0277(4) Uani 1 1 d . . .
H50A H 0.8306 0.7037 0.4660 0.042 Uiso 1 1 calc R . .
H50B H 0.8845 0.7891 0.4619 0.042 Uiso 1 1 calc R . .
H50C H 0.9372 0.7060 0.4447 0.042 Uiso 1 1 calc R . .
C47 C 0.82832(13) 0.82079(10) 0.35135(8) 0.0207(3) Uani 1 1 d . . .
H47 H 0.8357 0.8677 0.3769 0.025 Uiso 1 1 calc R . .
C48 C 0.79864(12) 0.83063(10) 0.29030(8) 0.0187(3) Uani 1 1 d . . .
C51 C 0.77893(14) 0.91473(10) 0.26491(10) 0.0272(4) Uani 1 1 d . . .
H51A H 0.7685 0.9113 0.2199 0.041 Uiso 1 1 calc R . .
H51B H 0.8321 0.9506 0.2732 0.041 Uiso 1 1 calc R . .
H51C H 0.7234 0.9371 0.2851 0.041 Uiso 1 1 calc R . .
C49 C 0.78749(12) 0.76149(10) 0.25327(7) 0.0163(3) Uani 1 1 d . . .
H49 H 0.7673 0.7673 0.2114 0.020 Uiso 1 1 calc R . .
P2 P 0.87200(3) 0.09946(3) 0.39984(2) 0.02280(9) Uani 1 1 d . . .
F1 F 0.80259(9) 0.02609(10) 0.41459(6) 0.0397(3) Uani 1 1 d . . .
F2 F 0.94279(11) 0.17226(10) 0.38514(8) 0.0529(4) Uani 1 1 d . . .
F3 F 0.83087(10) 0.10629(8) 0.33116(6) 0.0350(3) Uani 1 1 d . . .
F4 F 0.94722(10) 0.03516(10) 0.37572(7) 0.0477(4) Uani 1 1 d . . .
F5 F 0.91376(11) 0.09275(10) 0.46893(6) 0.0448(4) Uani 1 1 d . . .
F6 F 0.79735(12) 0.16378(11) 0.42326(8) 0.0515(4) Uani 1 1 d . . .
C52 C 1.0828(3) 0.72187(19) 0.58606(14) 0.0688(11) Uani 1 1 d . . .
H52A H 1.1300 0.7630 0.5959 0.103 Uiso 1 1 calc R . .
H52B H 1.0904 0.7039 0.5428 0.103 Uiso 1 1 calc R . .
H52C H 1.0899 0.6749 0.6140 0.103 Uiso 1 1 calc R . .
C53 C 0.9891(3) 0.75781(18) 0.59422(12) 0.0632(11) Uani 1 1 d . . .
H53A H 0.9814 0.8048 0.5657 0.076 Uiso 1 1 calc R . .
H53B H 0.9412 0.7166 0.5837 0.076 Uiso 1 1 calc R . .
O O 0.97672(14) 0.78425(10) 0.65698(8) 0.0408(4) Uani 1 1 d . . .
C54 C 0.8929(2) 0.82558(19) 0.66864(17) 0.0583(9) Uani 1 1 d . . .
H54A H 0.8397 0.7891 0.6596 0.070 Uiso 1 1 calc R . .
H54B H 0.8881 0.8740 0.6412 0.070 Uiso 1 1 calc R . .
C55 C 0.8899(2) 0.85187(17) 0.73553(19) 0.0585(8) Uani 1 1 d . . .
H55A H 0.8920 0.8036 0.7625 0.088 Uiso 1 1 calc R . .
H55B H 0.8324 0.8822 0.7433 0.088 Uiso 1 1 calc R . .
H55C H 0.9435 0.8870 0.7445 0.088 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pd 0.01138(5) 0.01025(5) 0.01295(5) -0.00004(4) -0.00083(4) 0.00028(4)
C1 0.0140(7) 0.0140(6) 0.0169(7) -0.0007(6) 0.0006(6) -0.0004(5)
C2 0.0168(7) 0.0142(7) 0.0184(7) 0.0014(5) -0.0002(6) -0.0009(6)
C3 0.0170(7) 0.0186(7) 0.0195(8) -0.0018(6) -0.0006(6) -0.0029(6)
C4 0.0143(7) 0.0239(9) 0.0145(7) -0.0030(6) 0.0003(5) 0.0007(6)
C5 0.0143(7) 0.0385(10) 0.0200(8) -0.0036(8) 0.0003(6) -0.0024(8)
C6 0.0123(7) 0.0477(12) 0.0195(8) -0.0033(8) -0.0020(6) 0.0068(8)
C7 0.0249(9) 0.0358(11) 0.0206(8) 0.0006(7) -0.0050(7) 0.0132(8)
C8 0.0261(9) 0.0217(8) 0.0217(8) 0.0011(7) -0.0039(7) 0.0069(7)
C9 0.0159(7) 0.0192(7) 0.0167(7) -0.0010(6) -0.0015(6) 0.0050(6)
C10 0.0164(7) 0.0150(7) 0.0178(7) 0.0002(6) -0.0018(6) 0.0004(6)
C11 0.0239(8) 0.0148(7) 0.0242(8) 0.0069(6) -0.0081(7) -0.0027(6)
C12 0.0291(10) 0.0347(10) 0.0219(8) 0.0073(7) 0.0021(7) -0.0112(8)
N1 0.0196(6) 0.0128(6) 0.0237(7) -0.0007(5) -0.0054(6) -0.0002(5)
C13 0.0258(9) 0.0196(8) 0.0392(10) -0.0082(8) -0.0094(9) 0.0083(7)
C14 0.0259(8) 0.0169(8) 0.0359(11) 0.0047(8) -0.0083(9) -0.0076(6)
N2 0.0125(6) 0.0125(6) 0.0141(6) -0.0019(5) 0.0012(5) -0.0007(5)
C15 0.0197(7) 0.0137(7) 0.0150(7) -0.0023(5) 0.0031(6) -0.0012(6)
C16 0.0179(8) 0.0257(8) 0.0201(8) -0.0064(6) 0.0049(6) 0.0011(6)
C17 0.0273(10) 0.0292(10) 0.0401(11) -0.0134(8) 0.0033(9) 0.0074(8)
C18 0.0268(10) 0.0505(13) 0.0261(10) -0.0055(9) 0.0094(8) -0.0069(9)
N3 0.0244(7) 0.0177(7) 0.0138(6) -0.0023(5) -0.0002(5) -0.0011(6)
C19 0.0241(8) 0.0131(7) 0.0168(7) -0.0002(5) -0.0043(6) -0.0016(6)
C20 0.0354(10) 0.0202(9) 0.0159(7) 0.0001(6) -0.0075(7) 0.0003(7)
C21 0.0334(10) 0.0275(10) 0.0245(9) 0.0020(7) -0.0146(8) 0.0012(8)
C22 0.0216(9) 0.0270(9) 0.0318(10) 0.0001(8) -0.0082(8) 0.0036(7)
C23 0.0184(8) 0.0206(8) 0.0234(8) -0.0014(6) -0.0029(7) 0.0011(6)
C24 0.0180(7) 0.0141(7) 0.0171(7) 0.0003(6) -0.0043(5) -0.0008(6)
C25 0.0157(6) 0.0104(6) 0.0141(6) -0.0004(5) 0.0003(6) -0.0020(6)
C26 0.0125(6) 0.0138(6) 0.0134(6) -0.0004(5) -0.0016(5) 0.0008(5)
C27 0.0130(6) 0.0149(6) 0.0191(8) 0.0005(5) 0.0004(6) -0.0001(5)
C28 0.0181(7) 0.0173(7) 0.0214(8) -0.0012(6) 0.0007(6) -0.0030(6)
C29 0.0216(8) 0.0198(8) 0.0313(9) -0.0003(7) 0.0027(7) -0.0063(7)
C30 0.0226(9) 0.0246(9) 0.0313(10) 0.0048(7) 0.0093(8) -0.0039(7)
C31 0.0200(8) 0.0262(9) 0.0216(8) 0.0023(7) 0.0062(7) 0.0013(7)
C32 0.0161(6) 0.0188(7) 0.0155(6) 0.0009(6) 0.0012(5) 0.0018(7)
C33 0.0184(7) 0.0230(8) 0.0156(7) -0.0045(6) 0.0028(6) 0.0018(6)
C34 0.0176(7) 0.0179(7) 0.0168(7) -0.0046(5) -0.0011(6) -0.0004(6)
C35 0.0125(6) 0.0143(6) 0.0144(6) 0.0004(5) 0.0000(6) 0.0009(5)
P1 0.01283(16) 0.01108(16) 0.01239(16) -0.00015(14) -0.00067(15) 0.00046(12)
C36 0.0169(7) 0.0108(6) 0.0147(7) 0.0003(5) -0.0028(6) 0.0005(5)
C37 0.0165(7) 0.0134(6) 0.0197(7) 0.0002(5) -0.0009(6) 0.0020(6)
C38 0.0223(8) 0.0134(7) 0.0220(8) 0.0012(6) -0.0081(6) 0.0019(6)
C42 0.0268(9) 0.0268(9) 0.0316(10) 0.0037(8) -0.0102(8) 0.0075(8)
C39 0.0298(9) 0.0160(8) 0.0165(8) 0.0026(6) -0.0054(7) -0.0013(7)
C40 0.0239(8) 0.0229(8) 0.0171(8) 0.0028(6) 0.0003(7) -0.0034(7)
C43 0.0307(11) 0.0575(14) 0.0210(9) 0.0137(9) 0.0046(8) -0.0005(10)
C41 0.0166(7) 0.0202(8) 0.0172(7) 0.0013(6) -0.0010(6) -0.0010(6)
C44 0.0138(7) 0.0135(7) 0.0160(7) -0.0019(5) 0.0006(5) -0.0005(5)
C45 0.0173(7) 0.0162(7) 0.0186(7) -0.0005(5) -0.0014(6) -0.0016(6)
C46 0.0201(7) 0.0195(7) 0.0177(7) -0.0029(6) 0.0004(7) -0.0046(7)
C50 0.0397(11) 0.0245(9) 0.0188(8) -0.0027(7) -0.0053(8) -0.0072(8)
C47 0.0265(9) 0.0159(7) 0.0196(8) -0.0044(6) 0.0029(7) -0.0057(6)
C48 0.0219(8) 0.0133(7) 0.0208(8) -0.0005(6) 0.0044(7) -0.0022(6)
C51 0.0387(10) 0.0132(7) 0.0297(9) -0.0001(7) 0.0021(9) -0.0009(7)
C49 0.0178(7) 0.0142(7) 0.0168(8) -0.0004(5) 0.0006(6) -0.0012(6)
P2 0.0229(2) 0.0233(2) 0.0222(2) 0.00254(17) 0.00113(17) -0.00208(18)
F1 0.0402(7) 0.0427(8) 0.0363(7) 0.0031(6) 0.0015(5) -0.0194(7)
F2 0.0500(9) 0.0462(9) 0.0626(10) 0.0244(8) -0.0098(8) -0.0239(7)
F3 0.0480(8) 0.0328(6) 0.0241(6) 0.0028(5) -0.0045(6) 0.0100(6)
F4 0.0421(8) 0.0517(8) 0.0494(8) 0.0145(7) 0.0094(6) 0.0238(7)
F5 0.0477(8) 0.0565(9) 0.0301(7) 0.0082(6) -0.0137(6) -0.0190(7)
F6 0.0506(9) 0.0524(9) 0.0515(9) -0.0257(8) 0.0027(7) 0.0177(8)
C52 0.130(3) 0.0396(15) 0.0372(15) -0.0104(12) 0.0180(18) -0.0314(19)
C53 0.119(3) 0.0414(14) 0.0288(12) 0.0131(10) -0.0238(15) -0.0500(18)
O 0.0584(11) 0.0292(8) 0.0347(8) 0.0097(7) -0.0194(8) -0.0152(8)
C54 0.0381(14) 0.0529(17) 0.084(2) 0.0296(16) -0.0237(15) -0.0217(13)
C55 0.0404(13) 0.0359(13) 0.099(2) 0.0039(16) 0.0054(17) -0.0032(11)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd C1 1.9806(16) . ?
Pd N1 2.1483(14) . ?
Pd N2 2.2023(14) . ?
Pd P1 2.2479(4) . ?
C1 C10 1.383(2) . ?
C1 C2 1.412(2) . ?
C2 C3 1.373(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.411(2) . ?
C3 H3 0.9500 . ?
C4 C9 1.419(2) . ?
C4 C5 1.427(2) . ?
C5 C6 1.365(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.411(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.373(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.421(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.430(2) . ?
C10 C11 1.509(2) . ?
C11 N1 1.515(2) . ?
C11 C12 1.518(3) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
N1 C13 1.480(2) . ?
N1 C14 1.483(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
N2 C25 1.330(2) . ?
N2 C15 1.381(2) . ?
C15 N3 1.307(2) . ?
C15 C16 1.510(2) . ?
C16 C18 1.527(3) . ?
C16 C17 1.540(3) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
N3 C19 1.364(2) . ?
C19 C24 1.409(2) . ?
C19 C20 1.410(2) . ?
C20 C21 1.360(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.408(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.366(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.423(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.422(2) . ?
C25 C26 1.489(2) . ?
C26 C35 1.395(2) . ?
C26 C27 1.422(2) . ?
C27 C32 1.422(2) . ?
C27 C28 1.423(2) . ?
C28 C29 1.364(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.411(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.369(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.416(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.404(2) . ?
C33 C34 1.366(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.415(2) . ?
C34 H34 0.9500 . ?
C35 P1 1.8344(15) . ?
P1 C36 1.8082(16) . ?
P1 C44 1.8148(16) . ?
C36 C41 1.393(2) . ?
C36 C37 1.396(2) . ?
C37 C38 1.397(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.385(3) . ?
C38 C42 1.508(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C39 C40 1.390(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.396(2) . ?
C40 C43 1.499(3) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C41 H41 0.9500 . ?
C44 C45 1.396(2) . ?
C44 C49 1.399(2) . ?
C45 C46 1.395(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.392(2) . ?
C46 C50 1.506(2) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C47 C48 1.388(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.392(2) . ?
C48 C51 1.507(2) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C49 H49 0.9500 . ?
P2 F6 1.5854(15) . ?
P2 F3 1.5930(13) . ?
P2 F1 1.5931(14) . ?
P2 F4 1.5957(15) . ?
P2 F2 1.5986(15) . ?
P2 F5 1.6044(14) . ?
C52 C53 1.482(5) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 O 1.426(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
O C54 1.405(4) . ?
C54 C55 1.500(5) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pd N1 80.95(6) . . ?
C1 Pd N2 173.65(6) . . ?
N1 Pd N2 100.43(5) . . ?
C1 Pd P1 98.53(5) . . ?
N1 Pd P1 157.74(4) . . ?
N2 Pd P1 82.56(4) . . ?
C10 C1 C2 119.62(15) . . ?
C10 C1 Pd 113.84(12) . . ?
C2 C1 Pd 125.94(12) . . ?
C3 C2 C1 120.38(15) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.91(16) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C9 119.80(15) . . ?
C3 C4 C5 121.20(17) . . ?
C9 C4 C5 118.94(17) . . ?
C6 C5 C4 121.17(19) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C7 119.92(17) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 120.41(18) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 121.07(19) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C4 C9 C8 118.44(16) . . ?
C4 C9 C10 117.90(15) . . ?
C8 C9 C10 123.65(17) . . ?
C1 C10 C9 121.24(15) . . ?
C1 C10 C11 115.66(15) . . ?
C9 C10 C11 123.09(15) . . ?
C10 C11 N1 105.39(14) . . ?
C10 C11 C12 110.72(16) . . ?
N1 C11 C12 112.76(15) . . ?
C10 C11 H11 109.3 . . ?
N1 C11 H11 109.3 . . ?
C12 C11 H11 109.3 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 N1 C14 108.42(14) . . ?
C13 N1 C11 107.71(14) . . ?
C14 N1 C11 111.33(15) . . ?
C13 N1 Pd 114.85(12) . . ?
C14 N1 Pd 111.92(11) . . ?
C11 N1 Pd 102.45(10) . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C25 N2 C15 117.74(14) . . ?
C25 N2 Pd 119.14(10) . . ?
C15 N2 Pd 120.31(11) . . ?
N3 C15 N2 125.07(16) . . ?
N3 C15 C16 116.96(15) . . ?
N2 C15 C16 117.93(15) . . ?
C15 C16 C18 111.68(16) . . ?
C15 C16 C17 107.62(15) . . ?
C18 C16 C17 110.50(16) . . ?
C15 C16 H16 109.0 . . ?
C18 C16 H16 109.0 . . ?
C17 C16 H16 109.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 N3 C19 117.99(14) . . ?
N3 C19 C24 121.42(15) . . ?
N3 C19 C20 119.09(16) . . ?
C24 C19 C20 119.49(16) . . ?
C21 C20 C19 119.93(17) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 121.14(17) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 120.31(18) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.73(17) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C19 C24 C25 116.31(15) . . ?
C19 C24 C23 119.37(15) . . ?
C25 C24 C23 124.19(15) . . ?
N2 C25 C24 121.36(14) . . ?
N2 C25 C26 117.62(14) . . ?
C24 C25 C26 120.77(14) . . ?
C35 C26 C27 120.78(14) . . ?
C35 C26 C25 118.97(14) . . ?
C27 C26 C25 120.21(13) . . ?
C26 C27 C32 118.98(15) . . ?
C26 C27 C28 122.49(15) . . ?
C32 C27 C28 118.51(15) . . ?
C29 C28 C27 120.27(17) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 121.26(18) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C31 C30 C29 119.73(17) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.65(17) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C33 C32 C31 121.57(16) . . ?
C33 C32 C27 119.00(15) . . ?
C31 C32 C27 119.42(16) . . ?
C34 C33 C32 121.32(15) . . ?
C34 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
C33 C34 C35 121.07(15) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C26 C35 C34 118.80(14) . . ?
C26 C35 P1 119.58(12) . . ?
C34 C35 P1 120.94(12) . . ?
C36 P1 C44 105.70(7) . . ?
C36 P1 C35 106.93(8) . . ?
C44 P1 C35 104.62(7) . . ?
C36 P1 Pd 116.49(5) . . ?
C44 P1 Pd 127.70(5) . . ?
C35 P1 Pd 91.69(5) . . ?
C41 C36 C37 120.35(15) . . ?
C41 C36 P1 118.04(13) . . ?
C37 C36 P1 121.61(13) . . ?
C36 C37 C38 120.10(16) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C38 C37 118.49(16) . . ?
C39 C38 C42 120.32(16) . . ?
C37 C38 C42 121.19(17) . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C39 C40 122.43(16) . . ?
C38 C39 H39 118.8 . . ?
C40 C39 H39 118.8 . . ?
C39 C40 C41 118.58(17) . . ?
C39 C40 C43 120.64(16) . . ?
C41 C40 C43 120.77(17) . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C36 C41 C40 120.04(16) . . ?
C36 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C45 C44 C49 119.69(15) . . ?
C45 C44 P1 119.51(12) . . ?
C49 C44 P1 120.55(12) . . ?
C46 C45 C44 120.19(15) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C47 C46 C45 118.92(15) . . ?
C47 C46 C50 120.72(15) . . ?
C45 C46 C50 120.35(16) . . ?
C46 C50 H50A 109.5 . . ?
C46 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C46 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C48 C47 C46 121.81(16) . . ?
C48 C47 H47 119.1 . . ?
C46 C47 H47 119.1 . . ?
C47 C48 C49 118.74(16) . . ?
C47 C48 C51 120.36(16) . . ?
C49 C48 C51 120.90(16) . . ?
C48 C51 H51A 109.5 . . ?
C48 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C48 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C49 C44 120.58(15) . . ?
C48 C49 H49 119.7 . . ?
C44 C49 H49 119.7 . . ?
F6 P2 F3 89.73(8) . . ?
F6 P2 F1 90.71(9) . . ?
F3 P2 F1 90.23(8) . . ?
F6 P2 F4 179.49(10) . . ?
F3 P2 F4 89.86(8) . . ?
F1 P2 F4 89.60(9) . . ?
F6 P2 F2 89.99(10) . . ?
F3 P2 F2 90.09(8) . . ?
F1 P2 F2 179.23(9) . . ?
F4 P2 F2 89.70(9) . . ?
F6 P2 F5 90.34(9) . . ?
F3 P2 F5 179.79(10) . . ?
F1 P2 F5 89.97(8) . . ?
F4 P2 F5 90.07(9) . . ?
F2 P2 F5 89.71(8) . . ?
C53 C52 H52A 109.5 . . ?
C53 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C53 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O C53 C52 110.2(2) . . ?
O C53 H53A 109.6 . . ?
C52 C53 H53A 109.6 . . ?
O C53 H53B 109.6 . . ?
C52 C53 H53B 109.6 . . ?
H53A C53 H53B 108.1 . . ?
C54 O C53 114.9(3) . . ?
O C54 C55 109.4(2) . . ?
O C54 H54A 109.8 . . ?
C55 C54 H54A 109.8 . . ?
O C54 H54B 109.8 . . ?
C55 C54 H54B 109.8 . . ?
H54A C54 H54B 108.2 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pd C1 C10 -15.82(12) . . . . ?
N2 Pd C1 C10 -118.9(5) . . . . ?
P1 Pd C1 C10 141.66(12) . . . . ?
N1 Pd C1 C2 155.17(15) . . . . ?
N2 Pd C1 C2 52.1(6) . . . . ?
P1 Pd C1 C2 -47.35(15) . . . . ?
C10 C1 C2 C3 -2.0(3) . . . . ?
Pd C1 C2 C3 -172.53(13) . . . . ?
C1 C2 C3 C4 2.7(3) . . . . ?
C2 C3 C4 C9 0.0(3) . . . . ?
C2 C3 C4 C5 177.09(17) . . . . ?
C3 C4 C5 C6 -175.52(17) . . . . ?
C9 C4 C5 C6 1.6(3) . . . . ?
C4 C5 C6 C7 0.3(3) . . . . ?
C5 C6 C7 C8 -2.0(3) . . . . ?
C6 C7 C8 C9 1.9(3) . . . . ?
C3 C4 C9 C8 175.46(16) . . . . ?
C5 C4 C9 C8 -1.7(2) . . . . ?
C3 C4 C9 C10 -3.4(2) . . . . ?
C5 C4 C9 C10 179.49(16) . . . . ?
C7 C8 C9 C4 0.0(3) . . . . ?
C7 C8 C9 C10 178.73(17) . . . . ?
C2 C1 C10 C9 -1.5(3) . . . . ?
Pd C1 C10 C9 170.13(13) . . . . ?
C2 C1 C10 C11 179.25(15) . . . . ?
Pd C1 C10 C11 -9.1(2) . . . . ?
C4 C9 C10 C1 4.1(2) . . . . ?
C8 C9 C10 C1 -174.65(17) . . . . ?
C4 C9 C10 C11 -176.66(16) . . . . ?
C8 C9 C10 C11 4.6(3) . . . . ?
C1 C10 C11 N1 40.1(2) . . . . ?
C9 C10 C11 N1 -139.16(16) . . . . ?
C1 C10 C11 C12 -82.12(19) . . . . ?
C9 C10 C11 C12 98.63(19) . . . . ?
C10 C11 N1 C13 74.01(17) . . . . ?
C12 C11 N1 C13 -165.10(15) . . . . ?
C10 C11 N1 C14 -167.26(14) . . . . ?
C12 C11 N1 C14 -46.37(19) . . . . ?
C10 C11 N1 Pd -47.48(14) . . . . ?
C12 C11 N1 Pd 73.41(15) . . . . ?
C1 Pd N1 C13 -80.75(13) . . . . ?
N2 Pd N1 C13 92.96(12) . . . . ?
P1 Pd N1 C13 -171.19(9) . . . . ?
C1 Pd N1 C14 155.08(14) . . . . ?
N2 Pd N1 C14 -31.21(14) . . . . ?
P1 Pd N1 C14 64.64(18) . . . . ?
C1 Pd N1 C11 35.72(11) . . . . ?
N2 Pd N1 C11 -150.58(10) . . . . ?
P1 Pd N1 C11 -54.72(16) . . . . ?
C1 Pd N2 C25 -147.5(5) . . . . ?
N1 Pd N2 C25 110.50(12) . . . . ?
P1 Pd N2 C25 -47.16(11) . . . . ?
C1 Pd N2 C15 13.1(6) . . . . ?
N1 Pd N2 C15 -88.88(13) . . . . ?
P1 Pd N2 C15 113.45(12) . . . . ?
C25 N2 C15 N3 2.5(2) . . . . ?
Pd N2 C15 N3 -158.35(13) . . . . ?
C25 N2 C15 C16 -175.25(14) . . . . ?
Pd N2 C15 C16 23.87(19) . . . . ?
N3 C15 C16 C18 47.5(2) . . . . ?
N2 C15 C16 C18 -134.55(17) . . . . ?
N3 C15 C16 C17 -74.0(2) . . . . ?
N2 C15 C16 C17 103.99(18) . . . . ?
N2 C15 N3 C19 -0.2(3) . . . . ?
C16 C15 N3 C19 177.58(15) . . . . ?
C15 N3 C19 C24 -2.7(2) . . . . ?
C15 N3 C19 C20 176.88(16) . . . . ?
N3 C19 C20 C21 179.25(17) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
C19 C20 C21 C22 2.1(3) . . . . ?
C20 C21 C22 C23 -1.4(3) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
N3 C19 C24 C25 3.2(2) . . . . ?
C20 C19 C24 C25 -176.42(15) . . . . ?
N3 C19 C24 C23 179.18(16) . . . . ?
C20 C19 C24 C23 -0.4(3) . . . . ?
C22 C23 C24 C19 1.0(3) . . . . ?
C22 C23 C24 C25 176.73(17) . . . . ?
C15 N2 C25 C24 -1.9(2) . . . . ?
Pd N2 C25 C24 159.23(12) . . . . ?
C15 N2 C25 C26 -176.14(13) . . . . ?
Pd N2 C25 C26 -15.03(18) . . . . ?
C19 C24 C25 N2 -0.8(2) . . . . ?
C23 C24 C25 N2 -176.60(16) . . . . ?
C19 C24 C25 C26 173.30(14) . . . . ?
C23 C24 C25 C26 -2.5(2) . . . . ?
N2 C25 C26 C35 60.25(19) . . . . ?
C24 C25 C26 C35 -114.05(17) . . . . ?
N2 C25 C26 C27 -121.97(16) . . . . ?
C24 C25 C26 C27 63.7(2) . . . . ?
C35 C26 C27 C32 2.2(2) . . . . ?
C25 C26 C27 C32 -175.51(14) . . . . ?
C35 C26 C27 C28 -176.38(15) . . . . ?
C25 C26 C27 C28 5.9(2) . . . . ?
C26 C27 C28 C29 -177.52(17) . . . . ?
C32 C27 C28 C29 3.9(2) . . . . ?
C27 C28 C29 C30 -0.9(3) . . . . ?
C28 C29 C30 C31 -2.6(3) . . . . ?
C29 C30 C31 C32 3.1(3) . . . . ?
C30 C31 C32 C33 178.42(18) . . . . ?
C30 C31 C32 C27 -0.2(3) . . . . ?
C26 C27 C32 C33 -0.6(2) . . . . ?
C28 C27 C32 C33 178.06(16) . . . . ?
C26 C27 C32 C31 178.02(15) . . . . ?
C28 C27 C32 C31 -3.3(2) . . . . ?
C31 C32 C33 C34 -179.15(17) . . . . ?
C27 C32 C33 C34 -0.6(3) . . . . ?
C32 C33 C34 C35 0.1(3) . . . . ?
C27 C26 C35 C34 -2.6(2) . . . . ?
C25 C26 C35 C34 175.12(14) . . . . ?
C27 C26 C35 P1 167.99(12) . . . . ?
C25 C26 C35 P1 -14.2(2) . . . . ?
C33 C34 C35 C26 1.5(2) . . . . ?
C33 C34 C35 P1 -169.03(13) . . . . ?
C26 C35 P1 C36 63.35(14) . . . . ?
C34 C35 P1 C36 -126.22(14) . . . . ?
C26 C35 P1 C44 175.17(13) . . . . ?
C34 C35 P1 C44 -14.40(15) . . . . ?
C26 C35 P1 Pd -55.04(13) . . . . ?
C34 C35 P1 Pd 115.39(13) . . . . ?
C1 Pd P1 C36 131.68(8) . . . . ?
N1 Pd P1 C36 -141.37(12) . . . . ?
N2 Pd P1 C36 -42.00(7) . . . . ?
C1 Pd P1 C44 -8.44(8) . . . . ?
N1 Pd P1 C44 78.51(13) . . . . ?
N2 Pd P1 C44 177.88(8) . . . . ?
C1 Pd P1 C35 -118.44(7) . . . . ?
N1 Pd P1 C35 -31.48(12) . . . . ?
N2 Pd P1 C35 67.89(6) . . . . ?
C44 P1 C36 C41 93.78(14) . . . . ?
C35 P1 C36 C41 -155.14(13) . . . . ?
Pd P1 C36 C41 -54.42(15) . . . . ?
C44 P1 C36 C37 -86.49(14) . . . . ?
C35 P1 C36 C37 24.58(15) . . . . ?
Pd P1 C36 C37 125.31(12) . . . . ?
C41 C36 C37 C38 -0.2(2) . . . . ?
P1 C36 C37 C38 -179.97(12) . . . . ?
C36 C37 C38 C39 -1.0(2) . . . . ?
C36 C37 C38 C42 178.51(16) . . . . ?
C37 C38 C39 C40 1.8(3) . . . . ?
C42 C38 C39 C40 -177.69(18) . . . . ?
C38 C39 C40 C41 -1.4(3) . . . . ?
C38 C39 C40 C43 177.72(19) . . . . ?
C37 C36 C41 C40 0.8(3) . . . . ?
P1 C36 C41 C40 -179.51(14) . . . . ?
C39 C40 C41 C36 0.0(3) . . . . ?
C43 C40 C41 C36 -179.06(19) . . . . ?
C36 P1 C44 C45 -177.58(13) . . . . ?
C35 P1 C44 C45 69.72(14) . . . . ?
Pd P1 C44 C45 -34.17(16) . . . . ?
C36 P1 C44 C49 8.16(16) . . . . ?
C35 P1 C44 C49 -104.54(14) . . . . ?
Pd P1 C44 C49 151.56(11) . . . . ?
C49 C44 C45 C46 3.1(2) . . . . ?
P1 C44 C45 C46 -171.25(14) . . . . ?
C44 C45 C46 C47 -2.6(3) . . . . ?
C44 C45 C46 C50 176.87(17) . . . . ?
C45 C46 C47 C48 0.8(3) . . . . ?
C50 C46 C47 C48 -178.59(18) . . . . ?
C46 C47 C48 C49 0.4(3) . . . . ?
C46 C47 C48 C51 -179.66(18) . . . . ?
C47 C48 C49 C44 0.1(3) . . . . ?
C51 C48 C49 C44 -179.85(16) . . . . ?
C45 C44 C49 C48 -1.8(2) . . . . ?
P1 C44 C49 C48 172.43(13) . . . . ?
C52 C53 O C54 174.9(2) . . . . ?
C53 O C54 C55 -178.5(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        32.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.334
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.092