# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_ICPOPdMeL
_database_code_depnum_ccdc_archive 'CCDC 1525117'
_audit_update_record             
;
2016-12-31 deposited with the CCDC.
2017-02-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H49 N3 O P Pd, C F3 O3 S'
_chemical_formula_sum            'C32 H49 F3 N3 O4 P Pd S'
_chemical_formula_weight         766.17

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'
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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.844(3)
_cell_length_b                   20.403(6)
_cell_length_c                   17.005(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.838(5)
_cell_angle_gamma                90
_cell_volume                     3749.0(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    93
_cell_measurement_reflns_used    11825
_cell_measurement_theta_min      2.1
_cell_measurement_theta_max      31.1

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_F_000             1592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    0.645
_shelx_estimated_absorpt_T_min   0.882
_shelx_estimated_absorpt_T_max   0.981
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            26195
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.746
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7350
_reflns_number_gt                6526
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    Mercury
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto, et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0520P)²+10.7713P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7350
_refine_ls_number_parameters     442
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0651
_refine_ls_wR_factor_ref         0.1478
_refine_ls_wR_factor_gt          0.1425
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_restrained_S_all      1.122
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.29772(3) 0.29791(2) 0.31213(2) 0.01303(12) Uani 1 1 d . . . . .
S1 S 0.23987(11) 0.52937(6) 0.85404(7) 0.0178(3) Uani 1 1 d . . . . .
P1 P 0.23794(11) 0.15020(6) 0.34176(7) 0.0147(3) Uani 1 1 d . . . . .
F2 F 0.2213(3) 0.62732(16) 0.75290(19) 0.0333(7) Uani 1 1 d . . . . .
O1 O 0.2378(3) 0.19908(15) 0.27590(18) 0.0168(7) Uani 1 1 d . . . . .
O3 O 0.3464(3) 0.56165(17) 0.8925(2) 0.0225(8) Uani 1 1 d . . . . .
F1 F 0.3401(3) 0.54828(17) 0.72058(18) 0.0352(8) Uani 1 1 d . . . . .
O2 O 0.1222(3) 0.55067(18) 0.8798(2) 0.0260(8) Uani 1 1 d . . . . .
O4 O 0.2524(3) 0.45999(17) 0.8440(2) 0.0305(9) Uani 1 1 d . . . . .
F3 F 0.1407(3) 0.53673(19) 0.70735(19) 0.0436(9) Uani 1 1 d . . . . .
N1 N 0.3327(4) 0.27913(19) 0.4967(2) 0.0157(8) Uani 1 1 d . . . . .
N2 N 0.2731(3) 0.19508(18) 0.4271(2) 0.0136(8) Uani 1 1 d . . . . .
N3 N 0.2819(3) 0.3306(2) 0.1942(2) 0.0165(8) Uani 1 1 d . . . . .
C2 C 0.3059(4) 0.2602(2) 0.4211(3) 0.0174(10) Uani 1 1 d . . . . .
C4 C 0.2767(4) 0.1756(2) 0.5058(3) 0.0191(10) Uani 1 1 d . . . . .
H5 H 0.256360 0.133640 0.525044 0.023 Uiso 1 1 calc R U . . .
C3 C 0.3145(5) 0.2280(2) 0.5488(3) 0.0196(10) Uani 1 1 d . . . . .
H4 H 0.326740 0.229965 0.604765 0.023 Uiso 1 1 calc R U . . .
C10 C 0.2778(5) 0.3870(3) 0.5431(3) 0.0237(11) Uani 1 1 d . . . . .
C6 C 0.4972(5) 0.3581(2) 0.5340(3) 0.0183(10) Uani 1 1 d . . . . .
C5 C 0.3707(5) 0.3439(2) 0.5249(3) 0.0185(10) Uani 1 1 d . . . . .
C23 C 0.0021(5) 0.1732(3) 0.3761(3) 0.0315(13) Uani 1 1 d . . . . .
H36 H -0.085179 0.160089 0.371610 0.047 Uiso 1 1 calc R U . . .
H37 H 0.012644 0.211721 0.342884 0.047 Uiso 1 1 calc R U . . .
H38 H 0.028038 0.183961 0.431185 0.047 Uiso 1 1 calc R U . . .
C29 C 0.1681(4) 0.3479(2) 0.1605(3) 0.0196(10) Uani 1 1 d . . . . .
C8 C 0.4382(5) 0.4653(2) 0.5792(3) 0.0241(11) Uani 1 1 d . . . . .
H7 H 0.461728 0.507708 0.597986 0.029 Uiso 1 1 calc R U . . .
C9 C 0.3155(5) 0.4486(2) 0.5703(3) 0.0254(11) Uani 1 1 d . . . . .
H8 H 0.255125 0.479773 0.582911 0.030 Uiso 1 1 calc R U . . .
C25 C 0.3825(4) 0.3368(2) 0.1529(3) 0.0184(10) Uani 1 1 d . . . . .
C21 C 0.0815(4) 0.1166(3) 0.3489(3) 0.0214(11) Uani 1 1 d . . . . .
C11 C 0.5955(5) 0.3088(2) 0.5137(3) 0.0218(11) Uani 1 1 d . . . . .
H9 H 0.558941 0.263977 0.516972 0.026 Uiso 1 1 calc R U . . .
C1 C 0.3417(5) 0.3919(2) 0.3411(3) 0.0232(11) Uani 1 1 d . . . . .
H1 H 0.265762 0.417947 0.341294 0.035 Uiso 1 1 calc R U . . .
H2 H 0.394329 0.410099 0.302449 0.035 Uiso 1 1 calc R U . . .
H3 H 0.386178 0.393095 0.393737 0.035 Uiso 1 1 calc R U . . .
C7 C 0.5284(5) 0.4210(3) 0.5610(3) 0.0232(11) Uani 1 1 d . . . . .
H6 H 0.612921 0.433642 0.567072 0.028 Uiso 1 1 calc R U . . .
C26 C 0.3714(5) 0.3642(3) 0.0777(3) 0.0250(11) Uani 1 1 d . . . . .
H42 H 0.442715 0.369711 0.049467 0.030 Uiso 1 1 calc R U . . .
C34 C 0.2354(5) 0.5617(3) 0.7538(3) 0.0268(12) Uani 1 1 d . . . . .
C22 C 0.0315(5) 0.0968(3) 0.2640(3) 0.0284(12) Uani 1 1 d . . . . .
H33 H -0.053938 0.081283 0.264465 0.043 Uiso 1 1 calc R U . . .
H34 H 0.083128 0.061799 0.244918 0.043 Uiso 1 1 calc R U . . .
H35 H 0.033752 0.134925 0.229061 0.043 Uiso 1 1 calc R U . . .
C24 C 0.0746(5) 0.0573(3) 0.4035(3) 0.0306(13) Uani 1 1 d . . . . .
H39 H 0.111804 0.068624 0.456319 0.046 Uiso 1 1 calc R U . . .
H40 H 0.119688 0.020513 0.382586 0.046 Uiso 1 1 calc R U . . .
H41 H -0.012182 0.044968 0.406707 0.046 Uiso 1 1 calc R U . . .
C30 C 0.5026(4) 0.3127(3) 0.1900(3) 0.0262(12) Uani 1 1 d . . . . .
H45 H 0.520413 0.333937 0.241458 0.039 Uiso 1 1 calc R U . . .
H46 H 0.568452 0.323160 0.155964 0.039 Uiso 1 1 calc R U . . .
H47 H 0.498444 0.265143 0.197279 0.039 Uiso 1 1 calc R U . . .
C13 C 0.7100(5) 0.3116(3) 0.5725(3) 0.0313(13) Uani 1 1 d . . . . .
H13 H 0.764798 0.274821 0.562940 0.047 Uiso 1 1 calc R U . . .
H14 H 0.684692 0.308959 0.626367 0.047 Uiso 1 1 calc R U . . .
H15 H 0.753914 0.352992 0.565820 0.047 Uiso 1 1 calc R U . . .
C28 C 0.1540(5) 0.3743(3) 0.0863(3) 0.0278(12) Uani 1 1 d . . . . .
H44 H 0.074119 0.386349 0.063750 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4807(5) 0.1342(3) 0.3249(4) 0.0362(14) Uani 1 1 d . . . . .
H24 H 0.553681 0.105831 0.324814 0.054 Uiso 1 1 calc R U . . .
H25 H 0.494073 0.166906 0.366910 0.054 Uiso 1 1 calc R U . . .
H26 H 0.467084 0.156383 0.273790 0.054 Uiso 1 1 calc R U . . .
C19 C 0.3944(5) 0.0540(3) 0.4168(3) 0.0298(12) Uani 1 1 d . . . . .
H27 H 0.319266 0.031583 0.430668 0.045 Uiso 1 1 calc R U . . .
H28 H 0.422547 0.084488 0.459036 0.045 Uiso 1 1 calc R U . . .
H29 H 0.459251 0.021551 0.409917 0.045 Uiso 1 1 calc R U . . .
C14 C 0.1407(5) 0.3679(3) 0.5363(4) 0.0344(14) Uani 1 1 d . . . . .
H16 H 0.130719 0.324918 0.508255 0.06(6) Uiso 0.45(3) 1 calc R . P A 1
H17 H 0.138247 0.319139 0.530457 0.07(5) Uiso 0.55(3) 1 calc R . P A 2
C31 C 0.0596(5) 0.3363(3) 0.2089(3) 0.0279(12) Uani 1 1 d . . . . .
H48 H 0.052784 0.289373 0.220025 0.042 Uiso 1 1 calc R U . . .
H49 H -0.016559 0.351474 0.179371 0.042 Uiso 1 1 calc R U . . .
H50 H 0.072260 0.360535 0.258668 0.042 Uiso 1 1 calc R U . . .
C27 C 0.2568(5) 0.3834(3) 0.0441(3) 0.0296(13) Uani 1 1 d . . . . .
H43 H 0.248414 0.402469 -0.006996 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3661(5) 0.0922(3) 0.3393(3) 0.0237(11) Uani 1 1 d . . . . .
C12 C 0.6323(6) 0.3182(4) 0.4295(3) 0.0413(16) Uani 1 1 d . . . . .
H10 H 0.558490 0.315088 0.392224 0.062 Uiso 1 1 calc R U . . .
H11 H 0.691604 0.284177 0.417459 0.062 Uiso 1 1 calc R U . . .
H12 H 0.670347 0.361476 0.424831 0.062 Uiso 1 1 calc R U . . .
C20 C 0.3395(6) 0.0443(3) 0.2701(3) 0.0359(14) Uani 1 1 d . . . . .
H30 H 0.315213 0.069020 0.221856 0.054 Uiso 1 1 calc R U . . .
H31 H 0.272273 0.014670 0.281674 0.054 Uiso 1 1 calc R U . . .
H32 H 0.414134 0.018712 0.262704 0.054 Uiso 1 1 calc R U . . .
C15 C 0.099(2) 0.3608(13) 0.6163(15) 0.046(4) Uani 0.45(3) 1 d . U P A 1
H18 H 0.139755 0.323045 0.642670 0.068 Uiso 0.45(3) 1 calc R U P A 1
H19 H 0.008776 0.354118 0.612390 0.068 Uiso 0.45(3) 1 calc R U P A 1
H20 H 0.119257 0.400597 0.646940 0.068 Uiso 0.45(3) 1 calc R U P A 1
C16 C 0.0658(18) 0.4236(12) 0.4840(13) 0.048(4) Uani 0.45(3) 1 d . U P A 1
H21 H -0.019756 0.409208 0.471205 0.071 Uiso 0.45(3) 1 calc R U P A 1
H22 H 0.105702 0.430734 0.435122 0.071 Uiso 0.45(3) 1 calc R U P A 1
H23 H 0.066103 0.464608 0.514058 0.071 Uiso 0.45(3) 1 calc R U P A 1
C33 C 0.0678(14) 0.3953(11) 0.4636(10) 0.047(4) Uani 0.55(3) 1 d . U P A 2
H54 H 0.075252 0.443208 0.463406 0.070 Uiso 0.55(3) 1 calc R U P A 2
H55 H -0.019495 0.383132 0.464351 0.070 Uiso 0.55(3) 1 calc R U P A 2
H56 H 0.100577 0.377405 0.416144 0.070 Uiso 0.55(3) 1 calc R U P A 2
C32 C 0.0734(16) 0.3836(10) 0.6101(11) 0.039(3) Uani 0.55(3) 1 d . U P A 2
H51 H 0.119677 0.364807 0.656717 0.058 Uiso 0.55(3) 1 calc R U P A 2
H52 H -0.009965 0.364707 0.604241 0.058 Uiso 0.55(3) 1 calc R U P A 2
H53 H 0.067621 0.431198 0.616270 0.058 Uiso 0.55(3) 1 calc R U P A 2


_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
Pd1 C2 2.002(5) . ?
Pd1 C1 2.027(5) . ?
Pd1 N3 2.106(4) . ?
Pd1 O1 2.191(3) . ?
S1 O4 1.434(4) . ?
S1 O3 1.438(3) . ?
S1 O2 1.450(4) . ?
S1 C34 1.824(6) . ?
P1 O1 1.500(3) . ?
P1 N2 1.731(4) . ?
P1 C17 1.829(5) . ?
P1 C21 1.843(5) . ?
F2 C34 1.347(6) . ?
F1 C34 1.339(6) . ?
F3 C34 1.342(6) . ?
N1 C2 1.350(6) . ?
N1 C3 1.393(6) . ?
N1 C5 1.453(6) . ?
N2 C2 1.382(6) . ?
N2 C4 1.392(6) . ?
N3 C25 1.353(6) . ?
N3 C29 1.363(6) . ?
C4 C3 1.341(7) . ?
C4 H5 0.9500 . ?
C3 H4 0.9500 . ?
C10 C9 1.390(7) . ?
C10 C5 1.391(7) . ?
C10 C14 1.531(8) . ?
C6 C7 1.394(7) . ?
C6 C5 1.398(7) . ?
C6 C11 1.527(7) . ?
C23 C21 1.535(8) . ?
C23 H36 0.9800 . ?
C23 H37 0.9800 . ?
C23 H38 0.9800 . ?
C29 C28 1.369(7) . ?
C29 C31 1.509(7) . ?
C8 C9 1.369(8) . ?
C8 C7 1.386(7) . ?
C8 H7 0.9500 . ?
C9 H8 0.9500 . ?
C25 C26 1.392(7) . ?
C25 C30 1.483(7) . ?
C21 C24 1.531(7) . ?
C21 C22 1.551(6) . ?
C11 C13 1.528(7) . ?
C11 C12 1.531(7) . ?
C11 H9 1.0000 . ?
C1 H1 0.9800 . ?
C1 H2 0.9800 . ?
C1 H3 0.9800 . ?
C7 H6 0.9500 . ?
C26 C27 1.380(8) . ?
C26 H42 0.9500 . ?
C22 H33 0.9800 . ?
C22 H34 0.9800 . ?
C22 H35 0.9800 . ?
C24 H39 0.9800 . ?
C24 H40 0.9800 . ?
C24 H41 0.9800 . ?
C30 H45 0.9800 . ?
C30 H46 0.9800 . ?
C30 H47 0.9800 . ?
C13 H13 0.9800 . ?
C13 H14 0.9800 . ?
C13 H15 0.9800 . ?
C28 C27 1.388(8) . ?
C28 H44 0.9500 . ?
C18 C17 1.546(8) . ?
C18 H24 0.9800 . ?
C18 H25 0.9800 . ?
C18 H26 0.9800 . ?
C19 C17 1.540(7) . ?
C19 H27 0.9800 . ?
C19 H28 0.9800 . ?
C19 H29 0.9800 . ?
C14 C15 1.48(2) . ?
C14 C33 1.517(15) . ?
C14 C32 1.537(19) . ?
C14 C16 1.619(19) . ?
C14 H16 1.0000 . ?
C14 H17 1.0000 . ?
C31 H48 0.9800 . ?
C31 H49 0.9800 . ?
C31 H50 0.9800 . ?
C27 H43 0.9500 . ?
C17 C20 1.538(7) . ?
C12 H10 0.9800 . ?
C12 H11 0.9800 . ?
C12 H12 0.9800 . ?
C20 H30 0.9800 . ?
C20 H31 0.9800 . ?
C20 H32 0.9800 . ?
C15 H18 0.9800 . ?
C15 H19 0.9800 . ?
C15 H20 0.9800 . ?
C16 H21 0.9800 . ?
C16 H22 0.9800 . ?
C16 H23 0.9800 . ?
C33 H54 0.9800 . ?
C33 H55 0.9800 . ?
C33 H56 0.9800 . ?
C32 H51 0.9800 . ?
C32 H52 0.9800 . ?
C32 H53 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
C2 Pd1 C1 98.4(2) . . ?
C2 Pd1 N3 175.39(17) . . ?
C1 Pd1 N3 86.03(18) . . ?
C2 Pd1 O1 84.01(16) . . ?
C1 Pd1 O1 175.77(17) . . ?
N3 Pd1 O1 91.45(13) . . ?
O4 S1 O3 115.2(2) . . ?
O4 S1 O2 115.3(2) . . ?
O3 S1 O2 114.8(2) . . ?
O4 S1 C34 103.9(2) . . ?
O3 S1 C34 102.5(2) . . ?
O2 S1 C34 102.6(2) . . ?
O1 P1 N2 105.12(19) . . ?
O1 P1 C17 111.5(2) . . ?
N2 P1 C17 104.3(2) . . ?
O1 P1 C21 110.7(2) . . ?
N2 P1 C21 106.3(2) . . ?
C17 P1 C21 117.8(2) . . ?
P1 O1 Pd1 114.86(17) . . ?
C2 N1 C3 111.2(4) . . ?
C2 N1 C5 127.3(4) . . ?
C3 N1 C5 121.5(4) . . ?
C2 N2 C4 111.0(4) . . ?
C2 N2 P1 119.1(3) . . ?
C4 N2 P1 129.9(3) . . ?
C25 N3 C29 119.9(4) . . ?
C25 N3 Pd1 121.3(3) . . ?
C29 N3 Pd1 118.7(3) . . ?
N1 C2 N2 103.9(4) . . ?
N1 C2 Pd1 139.6(4) . . ?
N2 C2 Pd1 116.5(3) . . ?
C3 C4 N2 106.3(4) . . ?
C3 C4 H5 126.9 . . ?
N2 C4 H5 126.9 . . ?
C4 C3 N1 107.6(4) . . ?
C4 C3 H4 126.2 . . ?
N1 C3 H4 126.2 . . ?
C9 C10 C5 116.6(5) . . ?
C9 C10 C14 120.8(5) . . ?
C5 C10 C14 122.6(5) . . ?
C7 C6 C5 115.8(5) . . ?
C7 C6 C11 121.7(4) . . ?
C5 C6 C11 122.4(4) . . ?
C10 C5 C6 124.5(5) . . ?
C10 C5 N1 117.2(4) . . ?
C6 C5 N1 118.2(4) . . ?
C21 C23 H36 109.5 . . ?
C21 C23 H37 109.5 . . ?
H36 C23 H37 109.5 . . ?
C21 C23 H38 109.5 . . ?
H36 C23 H38 109.5 . . ?
H37 C23 H38 109.5 . . ?
N3 C29 C28 121.1(5) . . ?
N3 C29 C31 116.7(4) . . ?
C28 C29 C31 122.2(5) . . ?
C9 C8 C7 120.7(5) . . ?
C9 C8 H7 119.6 . . ?
C7 C8 H7 119.6 . . ?
C8 C9 C10 121.2(5) . . ?
C8 C9 H8 119.4 . . ?
C10 C9 H8 119.4 . . ?
N3 C25 C26 120.3(4) . . ?
N3 C25 C30 117.7(4) . . ?
C26 C25 C30 122.0(4) . . ?
C24 C21 C23 110.7(4) . . ?
C24 C21 C22 109.2(4) . . ?
C23 C21 C22 108.4(4) . . ?
C24 C21 P1 115.2(4) . . ?
C23 C21 P1 106.4(3) . . ?
C22 C21 P1 106.7(3) . . ?
C6 C11 C13 111.8(4) . . ?
C6 C11 C12 111.8(4) . . ?
C13 C11 C12 110.2(5) . . ?
C6 C11 H9 107.6 . . ?
C13 C11 H9 107.6 . . ?
C12 C11 H9 107.6 . . ?
Pd1 C1 H1 109.5 . . ?
Pd1 C1 H2 109.5 . . ?
H1 C1 H2 109.5 . . ?
Pd1 C1 H3 109.5 . . ?
H1 C1 H3 109.5 . . ?
H2 C1 H3 109.5 . . ?
C8 C7 C6 121.2(5) . . ?
C8 C7 H6 119.4 . . ?
C6 C7 H6 119.4 . . ?
C27 C26 C25 119.9(5) . . ?
C27 C26 H42 120.0 . . ?
C25 C26 H42 120.0 . . ?
F1 C34 F3 107.9(4) . . ?
F1 C34 F2 107.3(4) . . ?
F3 C34 F2 106.9(4) . . ?
F1 C34 S1 111.3(4) . . ?
F3 C34 S1 111.8(4) . . ?
F2 C34 S1 111.4(4) . . ?
C21 C22 H33 109.5 . . ?
C21 C22 H34 109.5 . . ?
H33 C22 H34 109.5 . . ?
C21 C22 H35 109.5 . . ?
H33 C22 H35 109.5 . . ?
H34 C22 H35 109.5 . . ?
C21 C24 H39 109.5 . . ?
C21 C24 H40 109.5 . . ?
H39 C24 H40 109.5 . . ?
C21 C24 H41 109.5 . . ?
H39 C24 H41 109.5 . . ?
H40 C24 H41 109.5 . . ?
C25 C30 H45 109.5 . . ?
C25 C30 H46 109.5 . . ?
H45 C30 H46 109.5 . . ?
C25 C30 H47 109.5 . . ?
H45 C30 H47 109.5 . . ?
H46 C30 H47 109.5 . . ?
C11 C13 H13 109.5 . . ?
C11 C13 H14 109.5 . . ?
H13 C13 H14 109.5 . . ?
C11 C13 H15 109.5 . . ?
H13 C13 H15 109.5 . . ?
H14 C13 H15 109.5 . . ?
C29 C28 C27 119.8(5) . . ?
C29 C28 H44 120.1 . . ?
C27 C28 H44 120.1 . . ?
C17 C18 H24 109.5 . . ?
C17 C18 H25 109.5 . . ?
H24 C18 H25 109.5 . . ?
C17 C18 H26 109.5 . . ?
H24 C18 H26 109.5 . . ?
H25 C18 H26 109.5 . . ?
C17 C19 H27 109.5 . . ?
C17 C19 H28 109.5 . . ?
H27 C19 H28 109.5 . . ?
C17 C19 H29 109.5 . . ?
H27 C19 H29 109.5 . . ?
H28 C19 H29 109.5 . . ?
C15 C14 C10 109.2(10) . . ?
C33 C14 C10 113.8(8) . . ?
C33 C14 C32 109.7(9) . . ?
C10 C14 C32 114.2(8) . . ?
C15 C14 C16 113.2(11) . . ?
C10 C14 C16 107.5(9) . . ?
C15 C14 H16 108.9 . . ?
C10 C14 H16 108.9 . . ?
C16 C14 H16 108.9 . . ?
C33 C14 H17 106.1 . . ?
C10 C14 H17 106.1 . . ?
C32 C14 H17 106.1 . . ?
C29 C31 H48 109.5 . . ?
C29 C31 H49 109.5 . . ?
H48 C31 H49 109.5 . . ?
C29 C31 H50 109.5 . . ?
H48 C31 H50 109.5 . . ?
H49 C31 H50 109.5 . . ?
C26 C27 C28 118.9(5) . . ?
C26 C27 H43 120.6 . . ?
C28 C27 H43 120.6 . . ?
C20 C17 C19 110.1(5) . . ?
C20 C17 C18 109.4(5) . . ?
C19 C17 C18 108.2(4) . . ?
C20 C17 P1 109.6(4) . . ?
C19 C17 P1 113.9(4) . . ?
C18 C17 P1 105.5(4) . . ?
C11 C12 H10 109.5 . . ?
C11 C12 H11 109.5 . . ?
H10 C12 H11 109.5 . . ?
C11 C12 H12 109.5 . . ?
H10 C12 H12 109.5 . . ?
H11 C12 H12 109.5 . . ?
C17 C20 H30 109.5 . . ?
C17 C20 H31 109.5 . . ?
H30 C20 H31 109.5 . . ?
C17 C20 H32 109.5 . . ?
H30 C20 H32 109.5 . . ?
H31 C20 H32 109.5 . . ?
C14 C15 H18 109.5 . . ?
C14 C15 H19 109.5 . . ?
H18 C15 H19 109.5 . . ?
C14 C15 H20 109.5 . . ?
H18 C15 H20 109.5 . . ?
H19 C15 H20 109.5 . . ?
C14 C16 H21 109.5 . . ?
C14 C16 H22 109.5 . . ?
H21 C16 H22 109.5 . . ?
C14 C16 H23 109.5 . . ?
H21 C16 H23 109.5 . . ?
H22 C16 H23 109.5 . . ?
C14 C33 H54 109.5 . . ?
C14 C33 H55 109.5 . . ?
H54 C33 H55 109.5 . . ?
C14 C33 H56 109.5 . . ?
H54 C33 H56 109.5 . . ?
H55 C33 H56 109.5 . . ?
C14 C32 H51 109.5 . . ?
C14 C32 H52 109.5 . . ?
H51 C32 H52 109.5 . . ?
C14 C32 H53 109.5 . . ?
H51 C32 H53 109.5 . . ?
H52 C32 H53 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
N2 P1 O1 Pd1 5.9(2) . . . . ?
C17 P1 O1 Pd1 -106.5(2) . . . . ?
C21 P1 O1 Pd1 120.3(2) . . . . ?
O1 P1 N2 C2 -6.7(4) . . . . ?
C17 P1 N2 C2 110.7(4) . . . . ?
C21 P1 N2 C2 -124.1(4) . . . . ?
O1 P1 N2 C4 174.8(4) . . . . ?
C17 P1 N2 C4 -67.8(5) . . . . ?
C21 P1 N2 C4 57.4(5) . . . . ?
C3 N1 C2 N2 -1.4(5) . . . . ?
C5 N1 C2 N2 -178.8(4) . . . . ?
C3 N1 C2 Pd1 177.0(4) . . . . ?
C5 N1 C2 Pd1 -0.4(8) . . . . ?
C4 N2 C2 N1 1.8(5) . . . . ?
P1 N2 C2 N1 -177.0(3) . . . . ?
C4 N2 C2 Pd1 -177.1(3) . . . . ?
P1 N2 C2 Pd1 4.1(5) . . . . ?
C2 N2 C4 C3 -1.5(5) . . . . ?
P1 N2 C4 C3 177.2(4) . . . . ?
N2 C4 C3 N1 0.5(5) . . . . ?
C2 N1 C3 C4 0.6(6) . . . . ?
C5 N1 C3 C4 178.1(4) . . . . ?
C9 C10 C5 C6 1.6(7) . . . . ?
C14 C10 C5 C6 -176.6(5) . . . . ?
C9 C10 C5 N1 179.8(4) . . . . ?
C14 C10 C5 N1 1.6(7) . . . . ?
C7 C6 C5 C10 -2.0(7) . . . . ?
C11 C6 C5 C10 179.6(5) . . . . ?
C7 C6 C5 N1 179.8(4) . . . . ?
C11 C6 C5 N1 1.4(7) . . . . ?
C2 N1 C5 C10 91.0(6) . . . . ?
C3 N1 C5 C10 -86.1(6) . . . . ?
C2 N1 C5 C6 -90.7(6) . . . . ?
C3 N1 C5 C6 92.2(5) . . . . ?
C25 N3 C29 C28 -2.9(7) . . . . ?
Pd1 N3 C29 C28 174.8(4) . . . . ?
C25 N3 C29 C31 177.0(5) . . . . ?
Pd1 N3 C29 C31 -5.3(6) . . . . ?
C7 C8 C9 C10 0.2(8) . . . . ?
C5 C10 C9 C8 -0.6(7) . . . . ?
C14 C10 C9 C8 177.7(5) . . . . ?
C29 N3 C25 C26 3.6(7) . . . . ?
Pd1 N3 C25 C26 -174.0(4) . . . . ?
C29 N3 C25 C30 -175.5(4) . . . . ?
Pd1 N3 C25 C30 6.8(6) . . . . ?
O1 P1 C21 C24 169.2(4) . . . . ?
N2 P1 C21 C24 -77.2(4) . . . . ?
C17 P1 C21 C24 39.3(5) . . . . ?
O1 P1 C21 C23 -67.7(4) . . . . ?
N2 P1 C21 C23 45.9(4) . . . . ?
C17 P1 C21 C23 162.4(3) . . . . ?
O1 P1 C21 C22 47.8(4) . . . . ?
N2 P1 C21 C22 161.5(3) . . . . ?
C17 P1 C21 C22 -82.1(4) . . . . ?
C7 C6 C11 C13 39.7(6) . . . . ?
C5 C6 C11 C13 -141.9(5) . . . . ?
C7 C6 C11 C12 -84.3(6) . . . . ?
C5 C6 C11 C12 94.0(6) . . . . ?
C9 C8 C7 C6 -0.6(7) . . . . ?
C5 C6 C7 C8 1.5(7) . . . . ?
C11 C6 C7 C8 179.9(4) . . . . ?
N3 C25 C26 C27 -1.9(8) . . . . ?
C30 C25 C26 C27 177.2(5) . . . . ?
O4 S1 C34 F1 -61.4(4) . . . . ?
O3 S1 C34 F1 58.9(4) . . . . ?
O2 S1 C34 F1 178.2(4) . . . . ?
O4 S1 C34 F3 59.4(4) . . . . ?
O3 S1 C34 F3 179.7(4) . . . . ?
O2 S1 C34 F3 -61.0(4) . . . . ?
O4 S1 C34 F2 178.9(3) . . . . ?
O3 S1 C34 F2 -60.9(4) . . . . ?
O2 S1 C34 F2 58.5(4) . . . . ?
N3 C29 C28 C27 0.4(8) . . . . ?
C31 C29 C28 C27 -179.5(5) . . . . ?
C9 C10 C14 C15 -69.7(13) . . . . ?
C5 C10 C14 C15 108.4(13) . . . . ?
C9 C10 C14 C33 78.9(11) . . . . ?
C5 C10 C14 C33 -102.9(11) . . . . ?
C9 C10 C14 C32 -48.1(11) . . . . ?
C5 C10 C14 C32 130.0(10) . . . . ?
C9 C10 C14 C16 53.5(12) . . . . ?
C5 C10 C14 C16 -128.4(11) . . . . ?
C25 C26 C27 C28 -0.5(8) . . . . ?
C29 C28 C27 C26 1.3(8) . . . . ?
O1 P1 C17 C20 -72.8(4) . . . . ?
N2 P1 C17 C20 174.3(4) . . . . ?
C21 P1 C17 C20 56.8(5) . . . . ?
O1 P1 C17 C19 163.4(4) . . . . ?
N2 P1 C17 C19 50.5(4) . . . . ?
C21 P1 C17 C19 -67.0(4) . . . . ?
O1 P1 C17 C18 44.9(4) . . . . ?
N2 P1 C17 C18 -68.0(4) . . . . ?
C21 P1 C17 C18 174.5(3) . . . . ?

_refine_diff_density_max         1.823
_refine_diff_density_min         -1.428
_refine_diff_density_rms         0.124


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and hexane'
####################################################################### 
# 
# 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_QCPOPdML
_database_code_depnum_ccdc_archive 'CCDC 1525118'
_audit_update_record             
;
2016-12-31 deposited with the CCDC.
2017-02-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H51 N3 O P Pd, F6 Sb'
_chemical_formula_sum            'C35 H51 F6 N3 O P Pd Sb'
_chemical_formula_weight         902.90

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.179(3)
_cell_length_b                   22.751(8)
_cell_length_c                   16.348(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.349(6)
_cell_angle_gamma                90
_cell_volume                     3786(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    93
_cell_measurement_reflns_used    10746
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      30.9

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_F_000             1824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.292
_shelx_estimated_absorpt_T_min   0.738
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            26297
_diffrn_reflns_av_unetI/netI     0.0620
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.001
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7435
_reflns_number_gt                6376
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    Mercury
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto, et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0219P)²+6.5816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7435
_refine_ls_number_parameters     446
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.0869
_refine_ls_wR_factor_gt          0.0819
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.08718(3) 0.30174(2) 0.49212(2) 0.02085(9) Uani 1 1 d . . . . .
Pd1 Pd 0.48964(3) 0.49492(2) 0.81430(2) 0.01321(8) Uani 1 1 d . . . . .
P1 P 0.79521(11) 0.53068(5) 0.78053(6) 0.0166(2) Uani 1 1 d . . . . .
F3 F -0.0478(3) 0.29531(11) 0.37971(14) 0.0289(6) Uani 1 1 d . . . . .
F1 F -0.0255(3) 0.22493(12) 0.50980(16) 0.0390(7) Uani 1 1 d . . . . .
F6 F -0.1487(3) 0.37796(11) 0.47298(16) 0.0373(7) Uani 1 1 d . . . . .
F5 F 0.0825(3) 0.33027(14) 0.51012(16) 0.0415(8) Uani 1 1 d . . . . .
F4 F -0.1258(3) 0.30853(13) 0.60386(15) 0.0392(7) Uani 1 1 d . . . . .
F2 F -0.2548(3) 0.27114(13) 0.46940(17) 0.0410(8) Uani 1 1 d . . . . .
O1 O 0.6511(3) 0.54249(12) 0.76650(17) 0.0207(7) Uani 1 1 d . . . . .
N3 N 0.3933(3) 0.57722(15) 0.82156(19) 0.0155(7) Uani 1 1 d . . . . .
N2 N 0.7243(3) 0.41494(14) 0.81998(19) 0.0148(7) Uani 1 1 d . . . . .
N1 N 0.5522(3) 0.36265(14) 0.7938(2) 0.0158(7) Uani 1 1 d . . . . .
C2 C 0.5903(4) 0.42006(18) 0.8067(2) 0.0150(8) Uani 1 1 d . . . . .
C8 C 0.8201(4) 0.45936(18) 0.8278(2) 0.0174(9) Uani 1 1 d . . . . .
C33 C 0.3521(4) 0.60271(19) 0.7506(3) 0.0198(9) Uani 1 1 d . . . . .
C1 C 0.3274(4) 0.45525(19) 0.8580(2) 0.0198(9) Uani 1 1 d . . . . .
H1 H 0.273314 0.441170 0.812295 0.030 Uiso 1 1 calc R U . . .
H2 H 0.276925 0.483398 0.890565 0.030 Uiso 1 1 calc R U . . .
H3 H 0.353229 0.421908 0.892525 0.030 Uiso 1 1 calc R U . . .
C9 C 0.4209(4) 0.34266(18) 0.7698(2) 0.0177(9) Uani 1 1 d . . . . .
C4 C 0.7644(4) 0.35510(17) 0.8193(2) 0.0179(9) Uani 1 1 d . . . . .
C21 C 0.8633(4) 0.58766(19) 0.8506(3) 0.0246(10) Uani 1 1 d . . . . .
C7 C 0.9430(4) 0.44261(19) 0.8508(2) 0.0210(10) Uani 1 1 d . . . . .
H7 H 1.006676 0.472338 0.860595 0.025 Uiso 1 1 calc R U . . .
C3 C 0.6551(4) 0.32376(18) 0.8014(2) 0.0194(9) Uani 1 1 d . . . . .
H4 H 0.650223 0.282297 0.795306 0.023 Uiso 1 1 calc R U . . .
C14 C 0.3566(4) 0.30371(18) 0.8211(3) 0.0208(9) Uani 1 1 d . . . . .
C29 C 0.3807(4) 0.60694(18) 0.8934(2) 0.0183(9) Uani 1 1 d . . . . .
C10 C 0.3704(4) 0.36094(19) 0.6937(3) 0.0218(10) Uani 1 1 d . . . . .
C6 C 0.9811(4) 0.3832(2) 0.8610(3) 0.0238(10) Uani 1 1 d . . . . .
H6 H 1.066055 0.373657 0.881508 0.029 Uiso 1 1 calc R U . . .
C18 C 0.4143(4) 0.27814(19) 0.9002(3) 0.0225(10) Uani 1 1 d . . . . .
H18 H 0.501985 0.296840 0.909771 0.027 Uiso 1 1 calc R U . . .
C5 C 0.8953(4) 0.3405(2) 0.8413(3) 0.0239(10) Uani 1 1 d . . . . .
H5 H 0.922295 0.300549 0.842151 0.029 Uiso 1 1 calc R U . . .
C30 C 0.3268(4) 0.6627(2) 0.8954(3) 0.0249(10) Uani 1 1 d . . . . .
H43 H 0.319257 0.682985 0.945997 0.030 Uiso 1 1 calc R U . . .
C32 C 0.2953(4) 0.6579(2) 0.7512(3) 0.0256(10) Uani 1 1 d . . . . .
H45 H 0.263875 0.674548 0.701574 0.031 Uiso 1 1 calc R U . . .
C35 C 0.3713(4) 0.5693(2) 0.6728(2) 0.0241(10) Uani 1 1 d . . . . .
H49 H 0.465103 0.567857 0.659877 0.036 Uiso 1 1 calc R U . . .
H50 H 0.323612 0.588907 0.628300 0.036 Uiso 1 1 calc R U . . .
H51 H 0.337721 0.529207 0.679372 0.036 Uiso 1 1 calc R U . . .
C11 C 0.2456(5) 0.3407(2) 0.6725(3) 0.0284(11) Uani 1 1 d . . . . .
H8 H 0.207159 0.352655 0.622033 0.034 Uiso 1 1 calc R U . . .
C31 C 0.2837(5) 0.68907(19) 0.8237(3) 0.0274(11) Uani 1 1 d . . . . .
H44 H 0.247240 0.727500 0.824141 0.033 Uiso 1 1 calc R U . . .
C15 C 0.4499(5) 0.3975(2) 0.6339(3) 0.0259(10) Uani 1 1 d . . . . .
H11 H 0.491006 0.430648 0.665021 0.031 Uiso 1 1 calc R U . . .
C13 C 0.2314(4) 0.2847(2) 0.7964(3) 0.0259(10) Uani 1 1 d . . . . .
H10 H 0.183778 0.258416 0.830228 0.031 Uiso 1 1 calc R U . . .
C20 C 0.4359(5) 0.21222(19) 0.8891(3) 0.0296(11) Uani 1 1 d . . . . .
H22 H 0.350761 0.192238 0.886056 0.044 Uiso 1 1 calc R U . . .
H23 H 0.486460 0.196835 0.935592 0.044 Uiso 1 1 calc R U . . .
H24 H 0.484511 0.205265 0.838406 0.044 Uiso 1 1 calc R U . . .
C25 C 0.8730(4) 0.52420(19) 0.6793(3) 0.0235(10) Uani 1 1 d . . . . .
C26 C 0.8496(5) 0.5824(2) 0.6338(3) 0.0334(12) Uani 1 1 d . . . . .
H34 H 0.877276 0.578234 0.576812 0.050 Uiso 1 1 calc R U . . .
H35 H 0.900572 0.613678 0.660204 0.050 Uiso 1 1 calc R U . . .
H36 H 0.755935 0.592278 0.635452 0.050 Uiso 1 1 calc R U . . .
C24 C 0.8306(5) 0.5697(2) 0.9382(3) 0.0365(13) Uani 1 1 d . . . . .
H31 H 0.879728 0.534123 0.952716 0.055 Uiso 1 1 calc R U . . .
H32 H 0.736145 0.561907 0.942405 0.055 Uiso 1 1 calc R U . . .
H33 H 0.854788 0.601560 0.975727 0.055 Uiso 1 1 calc R U . . .
C34 C 0.4241(5) 0.57770(19) 0.9710(2) 0.0242(10) Uani 1 1 d . . . . .
H46 H 0.352862 0.552953 0.991706 0.036 Uiso 1 1 calc R U . . .
H47 H 0.446381 0.607694 1.011772 0.036 Uiso 1 1 calc R U . . .
H48 H 0.501430 0.553296 0.960244 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3679(5) 0.4240(2) 0.5641(3) 0.0391(13) Uani 1 1 d . . . . .
H12 H 0.334226 0.392357 0.529043 0.059 Uiso 1 1 calc R U . . .
H13 H 0.422873 0.450428 0.531640 0.059 Uiso 1 1 calc R U . . .
H14 H 0.294018 0.446078 0.586914 0.059 Uiso 1 1 calc R U . . .
C12 C 0.1766(4) 0.3035(2) 0.7238(3) 0.0288(11) Uani 1 1 d . . . . .
H9 H 0.090808 0.290823 0.708759 0.035 Uiso 1 1 calc R U . . .
C19 C 0.3298(5) 0.2903(2) 0.9746(3) 0.0317(11) Uani 1 1 d . . . . .
H19 H 0.316556 0.332739 0.980219 0.048 Uiso 1 1 calc R U . . .
H20 H 0.373779 0.275065 1.023694 0.048 Uiso 1 1 calc R U . . .
H21 H 0.244502 0.270831 0.967804 0.048 Uiso 1 1 calc R U . . .
C17 C 0.5616(5) 0.3594(2) 0.5983(3) 0.0365(13) Uani 1 1 d . . . . .
H15 H 0.619449 0.346199 0.642706 0.055 Uiso 1 1 calc R U . . .
H16 H 0.612289 0.382788 0.559192 0.055 Uiso 1 1 calc R U . . .
H17 H 0.523823 0.325226 0.570331 0.055 Uiso 1 1 calc R U . . .
C27 C 0.7990(5) 0.4754(2) 0.6341(3) 0.0331(12) Uani 1 1 d . . . . .
H37 H 0.704760 0.484236 0.633708 0.050 Uiso 1 1 calc R U . . .
H38 H 0.814121 0.437830 0.661969 0.050 Uiso 1 1 calc R U . . .
H39 H 0.830676 0.472838 0.577753 0.050 Uiso 1 1 calc R U . . .
C28 C 1.0205(5) 0.5096(3) 0.6801(3) 0.0406(13) Uani 1 1 d . . . . .
H40 H 1.034198 0.471120 0.705777 0.061 Uiso 1 1 calc R U . . .
H41 H 1.068172 0.539697 0.711131 0.061 Uiso 1 1 calc R U . . .
H42 H 1.053054 0.508553 0.623806 0.061 Uiso 1 1 calc R U . . .
C22 C 0.7878(6) 0.6449(2) 0.8298(3) 0.0405(13) Uani 1 1 d . . . . .
H25 H 0.693643 0.638791 0.838580 0.061 Uiso 1 1 calc R U . . .
H26 H 0.802868 0.655345 0.772459 0.061 Uiso 1 1 calc R U . . .
H27 H 0.819148 0.676761 0.865213 0.061 Uiso 1 1 calc R U . . .
C23 C 1.0101(5) 0.6005(3) 0.8435(4) 0.0482(15) Uani 1 1 d . . . . .
H28 H 1.033495 0.633159 0.879963 0.072 Uiso 1 1 calc R U . . .
H29 H 1.030728 0.611214 0.786962 0.072 Uiso 1 1 calc R U . . .
H30 H 1.060364 0.565502 0.859153 0.072 Uiso 1 1 calc R U . . .


_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
Sb1 F5 1.867(3) . ?
Sb1 F6 1.869(3) . ?
Sb1 F4 1.877(3) . ?
Sb1 F2 1.877(3) . ?
Sb1 F1 1.879(3) . ?
Sb1 F3 1.889(3) . ?
Pd1 C2 1.992(4) . ?
Pd1 C1 2.016(4) . ?
Pd1 N3 2.117(3) . ?
Pd1 O1 2.121(3) . ?
P1 O1 1.508(3) . ?
P1 C8 1.815(4) . ?
P1 C25 1.845(5) . ?
P1 C21 1.860(4) . ?
N3 C29 1.361(5) . ?
N3 C33 1.362(5) . ?
N2 C2 1.385(5) . ?
N2 C8 1.410(5) . ?
N2 C4 1.421(5) . ?
N1 C3 1.377(5) . ?
N1 C2 1.379(5) . ?
N1 C9 1.462(5) . ?
C8 C7 1.358(6) . ?
C33 C32 1.381(6) . ?
C33 C35 1.495(6) . ?
C1 H1 0.9800 . ?
C1 H2 0.9800 . ?
C1 H3 0.9800 . ?
C9 C14 1.387(6) . ?
C9 C10 1.406(6) . ?
C4 C3 1.352(6) . ?
C4 C5 1.417(6) . ?
C21 C23 1.528(7) . ?
C21 C24 1.529(6) . ?
C21 C22 1.549(7) . ?
C7 C6 1.416(6) . ?
C7 H7 0.9500 . ?
C3 H4 0.9500 . ?
C14 C13 1.403(6) . ?
C14 C18 1.532(6) . ?
C29 C30 1.384(6) . ?
C29 C34 1.497(6) . ?
C10 C11 1.393(6) . ?
C10 C15 1.521(6) . ?
C6 C5 1.345(6) . ?
C6 H6 0.9500 . ?
C18 C19 1.519(6) . ?
C18 C20 1.527(6) . ?
C18 H18 1.0000 . ?
C5 H5 0.9500 . ?
C30 C31 1.385(6) . ?
C30 H43 0.9500 . ?
C32 C31 1.387(6) . ?
C32 H45 0.9500 . ?
C35 H49 0.9800 . ?
C35 H50 0.9800 . ?
C35 H51 0.9800 . ?
C11 C12 1.387(7) . ?
C11 H8 0.9500 . ?
C31 H44 0.9500 . ?
C15 C16 1.533(6) . ?
C15 C17 1.546(7) . ?
C15 H11 1.0000 . ?
C13 C12 1.376(6) . ?
C13 H10 0.9500 . ?
C20 H22 0.9800 . ?
C20 H23 0.9800 . ?
C20 H24 0.9800 . ?
C25 C27 1.529(6) . ?
C25 C26 1.536(6) . ?
C25 C28 1.538(6) . ?
C26 H34 0.9800 . ?
C26 H35 0.9800 . ?
C26 H36 0.9800 . ?
C24 H31 0.9800 . ?
C24 H32 0.9800 . ?
C24 H33 0.9800 . ?
C34 H46 0.9800 . ?
C34 H47 0.9800 . ?
C34 H48 0.9800 . ?
C16 H12 0.9800 . ?
C16 H13 0.9800 . ?
C16 H14 0.9800 . ?
C12 H9 0.9500 . ?
C19 H19 0.9800 . ?
C19 H20 0.9800 . ?
C19 H21 0.9800 . ?
C17 H15 0.9800 . ?
C17 H16 0.9800 . ?
C17 H17 0.9800 . ?
C27 H37 0.9800 . ?
C27 H38 0.9800 . ?
C27 H39 0.9800 . ?
C28 H40 0.9800 . ?
C28 H41 0.9800 . ?
C28 H42 0.9800 . ?
C22 H25 0.9800 . ?
C22 H26 0.9800 . ?
C22 H27 0.9800 . ?
C23 H28 0.9800 . ?
C23 H29 0.9800 . ?
C23 H30 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
F5 Sb1 F6 90.73(14) . . ?
F5 Sb1 F4 90.99(13) . . ?
F6 Sb1 F4 90.83(12) . . ?
F5 Sb1 F2 177.17(14) . . ?
F6 Sb1 F2 90.45(13) . . ?
F4 Sb1 F2 91.57(13) . . ?
F5 Sb1 F1 89.49(13) . . ?
F6 Sb1 F1 179.21(12) . . ?
F4 Sb1 F1 89.92(12) . . ?
F2 Sb1 F1 89.30(13) . . ?
F5 Sb1 F3 88.79(12) . . ?
F6 Sb1 F3 88.96(11) . . ?
F4 Sb1 F3 179.69(13) . . ?
F2 Sb1 F3 88.66(12) . . ?
F1 Sb1 F3 90.29(12) . . ?
C2 Pd1 C1 93.56(18) . . ?
C2 Pd1 N3 176.59(15) . . ?
C1 Pd1 N3 89.74(15) . . ?
C2 Pd1 O1 90.76(15) . . ?
C1 Pd1 O1 175.54(14) . . ?
N3 Pd1 O1 85.95(12) . . ?
O1 P1 C8 110.94(18) . . ?
O1 P1 C25 107.47(18) . . ?
C8 P1 C25 104.6(2) . . ?
O1 P1 C21 109.15(19) . . ?
C8 P1 C21 108.1(2) . . ?
C25 P1 C21 116.6(2) . . ?
P1 O1 Pd1 127.48(17) . . ?
C29 N3 C33 119.5(4) . . ?
C29 N3 Pd1 122.3(3) . . ?
C33 N3 Pd1 118.0(3) . . ?
C2 N2 C8 129.3(3) . . ?
C2 N2 C4 111.2(3) . . ?
C8 N2 C4 119.3(3) . . ?
C3 N1 C2 112.4(3) . . ?
C3 N1 C9 121.2(3) . . ?
C2 N1 C9 126.3(3) . . ?
N1 C2 N2 102.7(3) . . ?
N1 C2 Pd1 132.5(3) . . ?
N2 C2 Pd1 124.7(3) . . ?
C7 C8 N2 117.3(4) . . ?
C7 C8 P1 119.7(3) . . ?
N2 C8 P1 120.5(3) . . ?
N3 C33 C32 120.5(4) . . ?
N3 C33 C35 117.8(4) . . ?
C32 C33 C35 121.7(4) . . ?
Pd1 C1 H1 109.5 . . ?
Pd1 C1 H2 109.5 . . ?
H1 C1 H2 109.5 . . ?
Pd1 C1 H3 109.5 . . ?
H1 C1 H3 109.5 . . ?
H2 C1 H3 109.5 . . ?
C14 C9 C10 123.5(4) . . ?
C14 C9 N1 118.0(3) . . ?
C10 C9 N1 118.3(4) . . ?
C3 C4 C5 134.6(4) . . ?
C3 C4 N2 105.7(3) . . ?
C5 C4 N2 119.5(4) . . ?
C23 C21 C24 109.9(4) . . ?
C23 C21 C22 107.9(4) . . ?
C24 C21 C22 108.6(4) . . ?
C23 C21 P1 116.6(3) . . ?
C24 C21 P1 107.9(3) . . ?
C22 C21 P1 105.6(3) . . ?
C8 C7 C6 123.5(4) . . ?
C8 C7 H7 118.2 . . ?
C6 C7 H7 118.2 . . ?
C4 C3 N1 107.8(4) . . ?
C4 C3 H4 126.1 . . ?
N1 C3 H4 126.1 . . ?
C9 C14 C13 117.0(4) . . ?
C9 C14 C18 125.0(4) . . ?
C13 C14 C18 118.0(4) . . ?
N3 C29 C30 121.1(4) . . ?
N3 C29 C34 118.8(4) . . ?
C30 C29 C34 120.1(4) . . ?
C11 C10 C9 116.8(4) . . ?
C11 C10 C15 120.5(4) . . ?
C9 C10 C15 122.5(4) . . ?
C5 C6 C7 118.9(4) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C19 C18 C20 110.9(4) . . ?
C19 C18 C14 113.0(4) . . ?
C20 C18 C14 109.1(3) . . ?
C19 C18 H18 107.9 . . ?
C20 C18 H18 107.9 . . ?
C14 C18 H18 107.9 . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C29 C30 C31 120.0(4) . . ?
C29 C30 H43 120.0 . . ?
C31 C30 H43 120.0 . . ?
C33 C32 C31 120.6(4) . . ?
C33 C32 H45 119.7 . . ?
C31 C32 H45 119.7 . . ?
C33 C35 H49 109.5 . . ?
C33 C35 H50 109.5 . . ?
H49 C35 H50 109.5 . . ?
C33 C35 H51 109.5 . . ?
H49 C35 H51 109.5 . . ?
H50 C35 H51 109.5 . . ?
C12 C11 C10 121.0(4) . . ?
C12 C11 H8 119.5 . . ?
C10 C11 H8 119.5 . . ?
C30 C31 C32 118.3(4) . . ?
C30 C31 H44 120.9 . . ?
C32 C31 H44 120.9 . . ?
C10 C15 C16 113.8(4) . . ?
C10 C15 C17 109.3(4) . . ?
C16 C15 C17 109.8(4) . . ?
C10 C15 H11 107.9 . . ?
C16 C15 H11 107.9 . . ?
C17 C15 H11 107.9 . . ?
C12 C13 C14 121.1(4) . . ?
C12 C13 H10 119.5 . . ?
C14 C13 H10 119.5 . . ?
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 . . ?
C27 C25 C26 108.5(4) . . ?
C27 C25 C28 108.9(4) . . ?
C26 C25 C28 109.8(4) . . ?
C27 C25 P1 106.2(3) . . ?
C26 C25 P1 107.4(3) . . ?
C28 C25 P1 115.7(3) . . ?
C25 C26 H34 109.5 . . ?
C25 C26 H35 109.5 . . ?
H34 C26 H35 109.5 . . ?
C25 C26 H36 109.5 . . ?
H34 C26 H36 109.5 . . ?
H35 C26 H36 109.5 . . ?
C21 C24 H31 109.5 . . ?
C21 C24 H32 109.5 . . ?
H31 C24 H32 109.5 . . ?
C21 C24 H33 109.5 . . ?
H31 C24 H33 109.5 . . ?
H32 C24 H33 109.5 . . ?
C29 C34 H46 109.5 . . ?
C29 C34 H47 109.5 . . ?
H46 C34 H47 109.5 . . ?
C29 C34 H48 109.5 . . ?
H46 C34 H48 109.5 . . ?
H47 C34 H48 109.5 . . ?
C15 C16 H12 109.5 . . ?
C15 C16 H13 109.5 . . ?
H12 C16 H13 109.5 . . ?
C15 C16 H14 109.5 . . ?
H12 C16 H14 109.5 . . ?
H13 C16 H14 109.5 . . ?
C13 C12 C11 120.5(4) . . ?
C13 C12 H9 119.8 . . ?
C11 C12 H9 119.8 . . ?
C18 C19 H19 109.5 . . ?
C18 C19 H20 109.5 . . ?
H19 C19 H20 109.5 . . ?
C18 C19 H21 109.5 . . ?
H19 C19 H21 109.5 . . ?
H20 C19 H21 109.5 . . ?
C15 C17 H15 109.5 . . ?
C15 C17 H16 109.5 . . ?
H15 C17 H16 109.5 . . ?
C15 C17 H17 109.5 . . ?
H15 C17 H17 109.5 . . ?
H16 C17 H17 109.5 . . ?
C25 C27 H37 109.5 . . ?
C25 C27 H38 109.5 . . ?
H37 C27 H38 109.5 . . ?
C25 C27 H39 109.5 . . ?
H37 C27 H39 109.5 . . ?
H38 C27 H39 109.5 . . ?
C25 C28 H40 109.5 . . ?
C25 C28 H41 109.5 . . ?
H40 C28 H41 109.5 . . ?
C25 C28 H42 109.5 . . ?
H40 C28 H42 109.5 . . ?
H41 C28 H42 109.5 . . ?
C21 C22 H25 109.5 . . ?
C21 C22 H26 109.5 . . ?
H25 C22 H26 109.5 . . ?
C21 C22 H27 109.5 . . ?
H25 C22 H27 109.5 . . ?
H26 C22 H27 109.5 . . ?
C21 C23 H28 109.5 . . ?
C21 C23 H29 109.5 . . ?
H28 C23 H29 109.5 . . ?
C21 C23 H30 109.5 . . ?
H28 C23 H30 109.5 . . ?
H29 C23 H30 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
C8 P1 O1 Pd1 12.2(3) . . . . ?
C25 P1 O1 Pd1 126.0(2) . . . . ?
C21 P1 O1 Pd1 -106.7(2) . . . . ?
C3 N1 C2 N2 2.1(4) . . . . ?
C9 N1 C2 N2 -174.5(3) . . . . ?
C3 N1 C2 Pd1 -173.8(3) . . . . ?
C9 N1 C2 Pd1 9.7(6) . . . . ?
C8 N2 C2 N1 172.3(4) . . . . ?
C4 N2 C2 N1 -3.0(4) . . . . ?
C8 N2 C2 Pd1 -11.4(6) . . . . ?
C4 N2 C2 Pd1 173.3(3) . . . . ?
C2 N2 C8 C7 172.0(4) . . . . ?
C4 N2 C8 C7 -13.0(5) . . . . ?
C2 N2 C8 P1 -26.0(6) . . . . ?
C4 N2 C8 P1 149.0(3) . . . . ?
O1 P1 C8 C7 -175.2(3) . . . . ?
C25 P1 C8 C7 69.3(4) . . . . ?
C21 P1 C8 C7 -55.5(4) . . . . ?
O1 P1 C8 N2 23.2(4) . . . . ?
C25 P1 C8 N2 -92.3(4) . . . . ?
C21 P1 C8 N2 142.9(3) . . . . ?
C29 N3 C33 C32 -1.3(6) . . . . ?
Pd1 N3 C33 C32 -176.4(3) . . . . ?
C29 N3 C33 C35 178.3(4) . . . . ?
Pd1 N3 C33 C35 3.2(5) . . . . ?
C3 N1 C9 C14 62.6(5) . . . . ?
C2 N1 C9 C14 -121.1(4) . . . . ?
C3 N1 C9 C10 -113.4(4) . . . . ?
C2 N1 C9 C10 62.8(5) . . . . ?
C2 N2 C4 C3 2.9(5) . . . . ?
C8 N2 C4 C3 -172.9(3) . . . . ?
C2 N2 C4 C5 -172.6(4) . . . . ?
C8 N2 C4 C5 11.6(6) . . . . ?
O1 P1 C21 C23 -153.9(4) . . . . ?
C8 P1 C21 C23 85.3(4) . . . . ?
C25 P1 C21 C23 -32.0(5) . . . . ?
O1 P1 C21 C24 81.8(3) . . . . ?
C8 P1 C21 C24 -39.0(4) . . . . ?
C25 P1 C21 C24 -156.3(3) . . . . ?
O1 P1 C21 C22 -34.2(4) . . . . ?
C8 P1 C21 C22 -155.0(3) . . . . ?
C25 P1 C21 C22 87.7(4) . . . . ?
N2 C8 C7 C6 4.9(6) . . . . ?
P1 C8 C7 C6 -157.2(4) . . . . ?
C5 C4 C3 N1 173.0(5) . . . . ?
N2 C4 C3 N1 -1.5(5) . . . . ?
C2 N1 C3 C4 -0.4(5) . . . . ?
C9 N1 C3 C4 176.4(4) . . . . ?
C10 C9 C14 C13 -3.5(6) . . . . ?
N1 C9 C14 C13 -179.3(4) . . . . ?
C10 C9 C14 C18 173.7(4) . . . . ?
N1 C9 C14 C18 -2.1(6) . . . . ?
C33 N3 C29 C30 -0.1(6) . . . . ?
Pd1 N3 C29 C30 174.7(3) . . . . ?
C33 N3 C29 C34 178.8(4) . . . . ?
Pd1 N3 C29 C34 -6.4(5) . . . . ?
C14 C9 C10 C11 3.7(6) . . . . ?
N1 C9 C10 C11 179.5(4) . . . . ?
C14 C9 C10 C15 -172.1(4) . . . . ?
N1 C9 C10 C15 3.6(6) . . . . ?
C8 C7 C6 C5 5.2(7) . . . . ?
C9 C14 C18 C19 123.5(5) . . . . ?
C13 C14 C18 C19 -59.4(5) . . . . ?
C9 C14 C18 C20 -112.7(5) . . . . ?
C13 C14 C18 C20 64.5(5) . . . . ?
C7 C6 C5 C4 -6.8(7) . . . . ?
C3 C4 C5 C6 -175.3(5) . . . . ?
N2 C4 C5 C6 -1.4(6) . . . . ?
N3 C29 C30 C31 0.5(7) . . . . ?
C34 C29 C30 C31 -178.4(4) . . . . ?
N3 C33 C32 C31 2.4(7) . . . . ?
C35 C33 C32 C31 -177.2(4) . . . . ?
C9 C10 C11 C12 -1.2(7) . . . . ?
C15 C10 C11 C12 174.8(4) . . . . ?
C29 C30 C31 C32 0.6(7) . . . . ?
C33 C32 C31 C30 -2.0(7) . . . . ?
C11 C10 C15 C16 17.1(6) . . . . ?
C9 C10 C15 C16 -167.2(4) . . . . ?
C11 C10 C15 C17 -106.0(5) . . . . ?
C9 C10 C15 C17 69.7(5) . . . . ?
C9 C14 C13 C12 0.8(6) . . . . ?
C18 C14 C13 C12 -176.6(4) . . . . ?
O1 P1 C25 C27 -56.7(3) . . . . ?
C8 P1 C25 C27 61.3(3) . . . . ?
C21 P1 C25 C27 -179.5(3) . . . . ?
O1 P1 C25 C26 59.3(3) . . . . ?
C8 P1 C25 C26 177.2(3) . . . . ?
C21 P1 C25 C26 -63.5(4) . . . . ?
O1 P1 C25 C28 -177.7(3) . . . . ?
C8 P1 C25 C28 -59.7(4) . . . . ?
C21 P1 C25 C28 59.5(4) . . . . ?
C14 C13 C12 C11 1.5(7) . . . . ?
C10 C11 C12 C13 -1.3(7) . . . . ?

_refine_diff_density_max         0.735
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.111


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and hexane'
