# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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_26-12-v
_database_code_depnum_ccdc_archive 'CCDC 2049418'
loop_
_audit_author_name
_audit_author_address
'Vanesa Salamanca'
;University of Valladolid
Spain
;
_audit_update_record             
;
2020-12-10 deposited with the CCDC.	2021-02-22 downloaded from the CCDC.
;
_audit_creation_date             2019-01-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H16 F10 N4 O3 Pd2, C H2 Cl2, C H2 Cl1.5'
_chemical_formula_sum            'C34 H17 Cl3.50 F10 N4 O3 Pd2'
_chemical_formula_weight         1056.39
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C34 H14 O6 N4 F10 Pd2'
_chemical_oxdiff_usercomment     YELLOW
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'
Cl Cl 0.1484 0.1585 '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'
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4134(5)
_cell_length_b                   11.7795(5)
_cell_length_c                   14.2283(6)
_cell_angle_alpha                112.372(4)
_cell_angle_beta                 96.046(3)
_cell_angle_gamma                91.729(3)
_cell_volume                     1753.95(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4888
_cell_measurement_temperature    213.00(14)
_cell_measurement_theta_max      27.6560
_cell_measurement_theta_min      3.5780
_shelx_estimated_absorpt_T_max   0.870
_shelx_estimated_absorpt_T_min   0.657
_exptl_absorpt_coefficient_mu    1.389
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1029
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -13 17 0.0951
-1 10 -19 0.1214
-6 13 4 0.0986
6 -14 -1 0.1689
16 0 -3 0.0435
-7 9 11 0.1321
2 -13 18 0.0969
-2 13 -18 0.0969
-5 9 11 0.1410
5 -9 -11 0.1410
-16 1 1 0.0466

_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.211
_exptl_crystal_size_min          0.103
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.0000 -13.0000 17.0000 0.7211 -0.6908 0.0102
-1.0000 10.0000 -19.0000 -0.7113 0.6406 -0.2639
-6.0000 13.0000 4.0000 -0.2701 0.2289 0.9258
6.0000 -14.0000 -1.0000 0.3703 -0.3132 -0.8519
16.0000 -0.0000 -3.0000 0.7031 0.6161 -0.3421
-7.0000 9.0000 11.0000 -0.0738 -0.0682 1.0251
2.0000 -13.0000 18.0000 0.7521 -0.7060 0.0522
-2.0000 13.0000 -18.0000 -0.7521 0.7060 -0.0522
-5.0000 9.0000 11.0000 0.0257 0.0032 0.9981
5.0000 -9.0000 -11.0000 -0.0257 -0.0032 -0.9981
-16.0000 1.0000 1.0000 -0.7724 -0.5469 0.3102

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.818
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12293
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.818
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.501
_diffrn_reflns_theta_min         3.328
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      213.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.818
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -81.00  16.00   1.00   17.09    --  -10.64 -57.00-180.00   97
  2  ω    -35.00  57.00   1.00   17.09    --  -10.64  57.00 -30.00   92
  3  ω     35.00 101.00   1.00   17.09    --   12.20 178.00-180.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0497480000
_diffrn_orient_matrix_UB_12      -0.0073425000
_diffrn_orient_matrix_UB_13      0.0309529000
_diffrn_orient_matrix_UB_21      0.0356529000
_diffrn_orient_matrix_UB_22      0.0387399000
_diffrn_orient_matrix_UB_23      -0.0152037000
_diffrn_orient_matrix_UB_31      -0.0135073000
_diffrn_orient_matrix_UB_32      0.0520606000
_diffrn_orient_matrix_UB_33      0.0420015000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5915
_reflns_number_total             7994
_reflns_odcompleteness_completeness 98.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.620
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         7994
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0528
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0454P)²+5.2562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1353
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C33(H33A,H33B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C17(H17), C25(H25), C7(H7), C9(H9), C2(H2), C4(H4), C23(H23),
 C20(H20), C8(H8), C24(H24), C19(H19), C18(H18), C3(H3)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.39166(4) 0.59465(3) 0.21074(3) 0.02536(12) Uani 1 1 d . . . . .
Pd2 Pd 0.22186(4) 0.49895(4) 0.34885(3) 0.02657(12) Uani 1 1 d . . . . .
O2 O 0.2309(4) 0.5176(4) 0.2136(3) 0.0307(9) Uani 1 1 d . . . . .
F1 F 0.2522(3) 0.8114(3) 0.1884(3) 0.0451(9) Uani 1 1 d . . . . .
F5 F 0.4636(4) 0.7229(3) 0.4534(3) 0.0521(10) Uani 1 1 d . . . . .
Cl4 Cl 0.9854(3) -0.0462(4) 0.1518(3) 0.1392(14) Uani 1 1 d . . . . .
F10 F 0.5006(3) 0.4718(3) 0.3885(3) 0.0577(12) Uani 1 1 d . . . . .
F6 F 0.1534(3) 0.2222(3) 0.2125(3) 0.0525(10) Uani 1 1 d . . . . .
Cl3 Cl 0.7788(4) 0.0828(4) 0.1461(3) 0.1501(15) Uani 1 1 d . . . . .
O3 O 0.0754(4) 0.6729(4) 0.2520(3) 0.0375(10) Uani 1 1 d . . . . .
F2 F 0.2041(4) 1.0292(3) 0.3287(3) 0.0542(11) Uani 1 1 d . . . . .
F7 F 0.2833(4) 0.0283(3) 0.1377(3) 0.0579(11) Uani 1 1 d . . . . .
F3 F 0.2868(4) 1.0954(3) 0.5281(3) 0.0598(12) Uani 1 1 d . . . . .
O1 O 0.2647(4) 0.3206(4) 0.0673(3) 0.0388(10) Uani 1 1 d . . . . .
F4 F 0.4147(4) 0.9401(3) 0.5903(3) 0.0596(12) Uani 1 1 d . . . . .
F8 F 0.5192(4) 0.0518(3) 0.1944(3) 0.0643(12) Uani 1 1 d . . . . .
N1 N 0.5533(4) 0.6536(4) 0.1980(3) 0.0296(10) Uani 1 1 d . . . . .
N2 N 0.4424(4) 0.4336(4) 0.1056(3) 0.0276(10) Uani 1 1 d . . . . .
F9 F 0.6270(3) 0.2749(4) 0.3201(4) 0.0702(14) Uani 1 1 d . . . . .
N4 N 0.1135(4) 0.6420(4) 0.4014(4) 0.0289(10) Uani 1 1 d . . . . .
N3 N 0.2043(4) 0.4950(4) 0.4867(4) 0.0318(10) Uani 1 1 d . . . . .
C11 C 0.3570(5) 0.7569(5) 0.3158(4) 0.0300(12) Uani 1 1 d . . . . .
C27 C 0.3217(5) 0.3551(5) 0.3035(4) 0.0296(12) Uani 1 1 d . . . . .
C6 C 0.5579(5) 0.4413(5) 0.0914(4) 0.0330(13) Uani 1 1 d . . . . .
C16 C 0.3972(5) 0.7954(5) 0.4185(5) 0.0354(13) Uani 1 1 d . . . . .
C10 C 0.3752(6) 0.3254(5) 0.0590(4) 0.0343(13) Uani 1 1 d . . . . .
C12 C 0.2935(5) 0.8395(5) 0.2878(4) 0.0321(12) Uani 1 1 d . . . . .
C5 C 0.6186(5) 0.5647(5) 0.1407(4) 0.0308(12) Uani 1 1 d . . . . .
C32 C 0.4427(5) 0.3626(5) 0.3286(5) 0.0346(13) Uani 1 1 d . . . . .
C26 C 0.0661(5) 0.7079(5) 0.3490(5) 0.0334(13) Uani 1 1 d . . . . .
C22 C 0.0941(5) 0.6709(5) 0.5009(4) 0.0339(13) Uani 1 1 d . . . . .
C28 C 0.2721(5) 0.2395(5) 0.2409(5) 0.0344(13) Uani 1 1 d . . . . .
C14 C 0.3093(6) 0.9851(5) 0.4589(5) 0.0383(14) Uani 1 1 d . . . . .
C1 C 0.6023(6) 0.7712(5) 0.2416(5) 0.0384(14) Uani 1 1 d . . . . .
H1 H 0.5570 0.8328 0.2792 0.046 Uiso 1 1 calc R . . . .
C21 C 0.1402(5) 0.5842(5) 0.5456(5) 0.0348(13) Uani 1 1 d . . . . .
C13 C 0.2684(5) 0.9519(5) 0.3580(5) 0.0362(13) Uani 1 1 d . . . . .
C15 C 0.3740(6) 0.9069(5) 0.4902(5) 0.0389(14) Uani 1 1 d . . . . .
C17 C 0.2464(6) 0.4123(6) 0.5229(5) 0.0400(14) Uani 1 1 d . . . . .
H17 H 0.2907 0.3515 0.4829 0.048 Uiso 1 1 calc R . . . .
C25 C 0.0063(5) 0.8130(5) 0.4003(5) 0.0389(14) Uani 1 1 d . . . . .
H25 H -0.0231 0.8613 0.3659 0.047 Uiso 1 1 calc R . . . .
C29 C 0.3372(6) 0.1385(5) 0.2032(5) 0.0377(14) Uani 1 1 d . . . . .
C7 C 0.6124(6) 0.3395(6) 0.0335(5) 0.0470(17) Uani 1 1 d . . . . .
H7 H 0.6912 0.3465 0.0238 0.056 Uiso 1 1 calc R . . . .
C9 C 0.4313(7) 0.2186(5) 0.0012(5) 0.0458(17) Uani 1 1 d . . . . .
H9 H 0.3876 0.1429 -0.0291 0.055 Uiso 1 1 calc R . . . .
C2 C 0.7156(6) 0.8027(6) 0.2325(5) 0.0460(16) Uani 1 1 d . . . . .
H2 H 0.7469 0.8840 0.2638 0.055 Uiso 1 1 calc R . . . .
C31 C 0.5100(6) 0.2634(6) 0.2933(5) 0.0428(16) Uani 1 1 d . . . . .
C30 C 0.4554(6) 0.1504(5) 0.2302(5) 0.0409(15) Uani 1 1 d . . . . .
C4 C 0.7336(6) 0.5933(6) 0.1286(5) 0.0409(15) Uani 1 1 d . . . . .
H4 H 0.7775 0.5323 0.0882 0.049 Uiso 1 1 calc R . . . .
C23 C 0.0348(6) 0.7706(6) 0.5526(5) 0.0443(16) Uani 1 1 d . . . . .
H23 H 0.0234 0.7898 0.6205 0.053 Uiso 1 1 calc R . . . .
C20 C 0.1165(6) 0.5885(6) 0.6403(5) 0.0443(15) Uani 1 1 d . . . . .
H20 H 0.0713 0.6491 0.6795 0.053 Uiso 1 1 calc R . . . .
C8 C 0.5467(7) 0.2259(6) -0.0101(5) 0.0546(19) Uani 1 1 d . . . . .
H8 H 0.5824 0.1554 -0.0468 0.066 Uiso 1 1 calc R . . . .
C24 C -0.0078(6) 0.8427(6) 0.5003(5) 0.0456(16) Uani 1 1 d . . . . .
H24 H -0.0465 0.9122 0.5343 0.055 Uiso 1 1 calc R . . . .
C19 C 0.1602(6) 0.5025(7) 0.6765(5) 0.0504(17) Uani 1 1 d . . . . .
H19 H 0.1450 0.5046 0.7400 0.060 Uiso 1 1 calc R . . . .
C18 C 0.2261(6) 0.4146(6) 0.6174(5) 0.0464(16) Uani 1 1 d . . . . .
H18 H 0.2571 0.3566 0.6407 0.056 Uiso 1 1 calc R . . . .
C3 C 0.7820(6) 0.7125(7) 0.1766(5) 0.0488(17) Uani 1 1 d . . . . .
H3 H 0.8599 0.7318 0.1712 0.059 Uiso 1 1 calc R . . . .
C34 C 0.8751(11) -0.0146(15) 0.0821(13) 0.147(6) Uani 1 1 d . . . . .
H34A H 0.8310 -0.0915 0.0381 0.176 Uiso 1 1 calc R . . . .
H34B H 0.9088 0.0198 0.0380 0.176 Uiso 1 1 calc R . . . .
Cl2 Cl 0.0000 0.5000 0.0000 0.0965(13) Uani 1 2 d S T P . .
Cl1 Cl -0.0712(4) 0.2969(7) 0.0741(4) 0.217(3) Uani 1 1 d . . . . .
C33 C 0.0017(19) 0.339(3) -0.0197(13) 0.270(14) Uani 1 1 d . . . . .
H33A H 0.0831 0.3175 -0.0164 0.324 Uiso 1 1 calc R . . . .
H33B H -0.0371 0.2893 -0.0879 0.324 Uiso 1 1 calc R . . . .
H2A H 0.184(9) 0.566(9) 0.215(8) 0.10(4) Uiso 1 1 d . . . . .
H2B H 0.230(10) 0.412(10) 0.127(9) 0.14(4) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 O2 2.033(4) . ?
Pd1 N1 2.002(5) . ?
Pd1 N2 2.064(4) . ?
Pd1 C11 2.010(5) . ?
Pd2 O2 2.031(4) . ?
Pd2 N4 2.071(4) . ?
Pd2 N3 2.011(5) . ?
Pd2 C27 2.006(5) . ?
O2 H2A 0.79(10) . ?
O2 H2B 1.37(12) . ?
F1 C12 1.351(7) . ?
F5 C16 1.354(7) . ?
Cl4 C34 1.660(13) . ?
F10 C32 1.347(6) . ?
F6 C28 1.359(7) . ?
Cl3 C34 1.687(14) . ?
O3 C26 1.298(7) . ?
F2 C13 1.344(7) . ?
F7 C29 1.357(6) . ?
F3 C14 1.350(6) . ?
O1 C10 1.280(7) . ?
O1 H2B 1.20(12) . ?
F4 C15 1.350(7) . ?
F8 C30 1.348(7) . ?
N1 C5 1.358(7) . ?
N1 C1 1.357(7) . ?
N2 C6 1.360(7) . ?
N2 C10 1.358(7) . ?
F9 C31 1.337(7) . ?
N4 C26 1.354(7) . ?
N4 C22 1.369(7) . ?
N3 C21 1.358(8) . ?
N3 C17 1.343(7) . ?
C11 C16 1.377(8) . ?
C11 C12 1.380(8) . ?
C27 C32 1.381(8) . ?
C27 C28 1.376(8) . ?
C6 C5 1.465(8) . ?
C6 C7 1.380(8) . ?
C16 C15 1.377(8) . ?
C10 C9 1.429(8) . ?
C12 C13 1.381(8) . ?
C5 C4 1.390(8) . ?
C32 C31 1.377(8) . ?
C26 C25 1.414(8) . ?
C22 C21 1.475(8) . ?
C22 C23 1.369(8) . ?
C28 C29 1.381(8) . ?
C14 C13 1.362(9) . ?
C14 C15 1.369(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.367(9) . ?
C21 C20 1.385(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(9) . ?
C25 H25 0.9300 . ?
C25 C24 1.358(9) . ?
C29 C30 1.352(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.396(10) . ?
C9 H9 0.9300 . ?
C9 C8 1.347(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.367(10) . ?
C31 C30 1.374(9) . ?
C4 H4 0.9300 . ?
C4 C3 1.373(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.393(9) . ?
C20 H20 0.9300 . ?
C20 C19 1.383(9) . ?
C8 H8 0.9300 . ?
C24 H24 0.9300 . ?
C19 H19 0.9300 . ?
C19 C18 1.365(10) . ?
C18 H18 0.9300 . ?
C3 H3 0.9300 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
Cl2 C33 1.82(3) 2_565 ?
Cl2 C33 1.82(3) . ?
Cl1 C33 1.85(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?

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
O2 Pd1 N2 93.71(17) . . ?
N1 Pd1 O2 174.21(17) . . ?
N1 Pd1 N2 80.50(18) . . ?
N1 Pd1 C11 94.7(2) . . ?
C11 Pd1 O2 91.0(2) . . ?
C11 Pd1 N2 175.1(2) . . ?
O2 Pd2 N4 93.81(18) . . ?
N3 Pd2 O2 174.49(18) . . ?
N3 Pd2 N4 80.70(19) . . ?
C27 Pd2 O2 89.5(2) . . ?
C27 Pd2 N4 176.2(2) . . ?
C27 Pd2 N3 96.0(2) . . ?
Pd1 O2 H2A 108(7) . . ?
Pd1 O2 H2B 98(5) . . ?
Pd2 O2 Pd1 111.20(18) . . ?
Pd2 O2 H2A 103(7) . . ?
Pd2 O2 H2B 118(5) . . ?
H2A O2 H2B 119(9) . . ?
C10 O1 H2B 116(5) . . ?
C5 N1 Pd1 115.1(4) . . ?
C1 N1 Pd1 126.4(4) . . ?
C1 N1 C5 118.5(5) . . ?
C6 N2 Pd1 112.9(3) . . ?
C10 N2 Pd1 126.3(4) . . ?
C10 N2 C6 120.6(5) . . ?
C26 N4 Pd2 126.8(4) . . ?
C26 N4 C22 119.8(5) . . ?
C22 N4 Pd2 113.4(4) . . ?
C21 N3 Pd2 114.8(4) . . ?
C17 N3 Pd2 126.4(4) . . ?
C17 N3 C21 118.8(5) . . ?
C16 C11 Pd1 123.2(4) . . ?
C16 C11 C12 115.5(5) . . ?
C12 C11 Pd1 121.3(4) . . ?
C32 C27 Pd2 124.4(4) . . ?
C28 C27 Pd2 120.8(4) . . ?
C28 C27 C32 114.8(5) . . ?
N2 C6 C5 115.2(5) . . ?
N2 C6 C7 121.8(6) . . ?
C7 C6 C5 123.0(6) . . ?
F5 C16 C11 120.2(5) . . ?
F5 C16 C15 116.7(5) . . ?
C15 C16 C11 123.1(6) . . ?
O1 C10 N2 120.2(5) . . ?
O1 C10 C9 121.6(6) . . ?
N2 C10 C9 118.1(6) . . ?
F1 C12 C11 120.0(5) . . ?
F1 C12 C13 117.2(5) . . ?
C11 C12 C13 122.7(5) . . ?
N1 C5 C6 115.4(5) . . ?
N1 C5 C4 120.6(5) . . ?
C4 C5 C6 123.9(5) . . ?
F10 C32 C27 119.7(5) . . ?
F10 C32 C31 116.9(5) . . ?
C31 C32 C27 123.4(5) . . ?
O3 C26 N4 119.4(5) . . ?
O3 C26 C25 121.0(5) . . ?
N4 C26 C25 119.6(6) . . ?
N4 C22 C21 114.2(5) . . ?
N4 C22 C23 122.0(6) . . ?
C23 C22 C21 123.8(6) . . ?
F6 C28 C27 119.3(5) . . ?
F6 C28 C29 117.3(5) . . ?
C27 C28 C29 123.3(6) . . ?
F3 C14 C13 120.0(5) . . ?
F3 C14 C15 120.0(6) . . ?
C13 C14 C15 120.0(5) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.6(6) . . ?
C2 C1 H1 118.7 . . ?
N3 C21 C22 116.4(5) . . ?
N3 C21 C20 120.8(6) . . ?
C20 C21 C22 122.8(6) . . ?
F2 C13 C12 121.3(6) . . ?
F2 C13 C14 119.2(5) . . ?
C14 C13 C12 119.4(5) . . ?
F4 C15 C16 120.9(6) . . ?
F4 C15 C14 119.9(5) . . ?
C14 C15 C16 119.2(6) . . ?
N3 C17 H17 118.9 . . ?
N3 C17 C18 122.1(6) . . ?
C18 C17 H17 118.9 . . ?
C26 C25 H25 120.3 . . ?
C24 C25 C26 119.4(6) . . ?
C24 C25 H25 120.3 . . ?
F7 C29 C28 120.3(6) . . ?
C30 C29 F7 120.0(5) . . ?
C30 C29 C28 119.6(5) . . ?
C6 C7 H7 120.8 . . ?
C6 C7 C8 118.5(7) . . ?
C8 C7 H7 120.8 . . ?
C10 C9 H9 119.5 . . ?
C8 C9 C10 121.0(6) . . ?
C8 C9 H9 119.5 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.8(6) . . ?
C3 C2 H2 120.6 . . ?
F9 C31 C32 121.2(5) . . ?
F9 C31 C30 119.6(6) . . ?
C30 C31 C32 119.2(6) . . ?
F8 C30 C29 119.8(5) . . ?
F8 C30 C31 120.4(6) . . ?
C29 C30 C31 119.7(5) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.5(6) . . ?
C3 C4 H4 120.3 . . ?
C22 C23 H23 121.0 . . ?
C22 C23 C24 118.0(6) . . ?
C24 C23 H23 121.0 . . ?
C21 C20 H20 120.1 . . ?
C19 C20 C21 119.8(6) . . ?
C19 C20 H20 120.1 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 H8 120.0 . . ?
C25 C24 C23 121.0(6) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C20 C19 H19 120.6 . . ?
C18 C19 C20 118.9(6) . . ?
C18 C19 H19 120.6 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(6) . . ?
C19 C18 H18 120.2 . . ?
C2 C3 C4 120.0(6) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
Cl4 C34 Cl3 117.0(10) . . ?
Cl4 C34 H34A 108.0 . . ?
Cl4 C34 H34B 108.0 . . ?
Cl3 C34 H34A 108.0 . . ?
Cl3 C34 H34B 108.0 . . ?
H34A C34 H34B 107.3 . . ?
C33 Cl2 C33 180.0 . 2_565 ?
Cl2 C33 Cl1 114.3(10) . . ?
Cl2 C33 H33A 108.7 . . ?
Cl2 C33 H33B 108.7 . . ?
Cl1 C33 H33A 108.7 . . ?
Cl1 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.210
_oxdiff_exptl_absorpt_empirical_full_min 0.839
