# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_ga_210702f_a
_database_code_depnum_ccdc_archive 'CCDC 2123418'
loop_
_audit_author_name
_audit_author_address
XXX
;Fudan University
China
;
_audit_update_record             
;
2021-11-22 deposited with the CCDC.	2022-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        XXX-M1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H50 Cl2 P2 Pd'
_chemical_formula_weight         842.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_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, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   24.3145(6)
_cell_length_b                   8.8177(2)
_cell_length_c                   19.6690(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.7980(10)
_cell_angle_gamma                90
_cell_volume                     4037.05(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      3.34
_cell_measurement_theta_max      61.94

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_F_000             1744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    3.970
_shelx_estimated_absorpt_T_min   0.535
_shelx_estimated_absorpt_T_max   0.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.536
_exptl_absorpt_correction_T_max  0.752
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28300
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.344
_diffrn_reflns_theta_max         61.499
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             9324
_reflns_number_gt                8604
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.841
_reflns_Friedel_fraction_max     0.956
_reflns_Friedel_fraction_full    0.984

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0191P)²] 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_abs_structure_details 
; 
 Flack x determined using 3579 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.012(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         9324
_refine_ls_number_parameters     557
_refine_ls_number_restraints     141
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0649
_refine_ls_wR_factor_gt          0.0625
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_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_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 0.48295(2) 0.33717(3) 0.75048(2) 0.02548(7) Uani 1 1 d . . . . .
P1 P 0.53035(4) 0.47113(11) 0.68229(5) 0.02382(19) Uani 1 1 d . . . . .
P2 P 0.44315(4) 0.17484(12) 0.81736(5) 0.0273(2) Uani 1 1 d . . . . .
Cl1 Cl 0.53908(4) 0.44143(12) 0.85490(5) 0.0347(2) Uani 1 1 d . . . . .
Cl2 Cl 0.41665(4) 0.26480(14) 0.64640(5) 0.0449(3) Uani 1 1 d . . . . .
C1 C 0.58056(15) 0.6237(4) 0.71531(19) 0.0260(8) Uani 1 1 d . . . . .
C2 C 0.62534(16) 0.6324(5) 0.7789(2) 0.0297(8) Uani 1 1 d . . . . .
H2 H 0.628750 0.558483 0.815010 0.036 Uiso 1 1 calc R U . . .
C3 C 0.66445(17) 0.7500(5) 0.7883(2) 0.0366(10) Uani 1 1 d . . . . .
H3 H 0.695163 0.756150 0.830973 0.044 Uiso 1 1 calc R U . . .
C4 C 0.65923(17) 0.8580(6) 0.7364(2) 0.0411(10) Uani 1 1 d . . . . .
H4 H 0.686655 0.937594 0.743486 0.049 Uiso 1 1 calc R U . . .
C5 C 0.61469(16) 0.8525(6) 0.6742(2) 0.0366(9) Uani 1 1 d . . . . .
H5 H 0.611397 0.928218 0.638867 0.044 Uiso 1 1 calc R U . . .
C6 C 0.57491(16) 0.7364(4) 0.66357(19) 0.0280(8) Uani 1 1 d . . . . .
C7 C 0.52654(17) 0.7140(5) 0.5961(2) 0.0321(9) Uani 0.7 1 d . . P A 1
H7A H 0.542259 0.683805 0.556928 0.039 Uiso 0.7 1 calc R U P A 1
H7B H 0.504975 0.809867 0.582595 0.039 Uiso 0.7 1 calc R U P A 1
C8 C 0.48616(16) 0.5890(5) 0.60882(18) 0.0275(8) Uani 0.7 1 d . . P A 1
H8 H 0.471577 0.525862 0.565045 0.033 Uiso 0.7 1 calc R U P A 1
C9 C 0.43505(16) 0.6586(5) 0.63019(19) 0.0318(9) Uani 0.7 1 d . . P A 1
H9A H 0.420687 0.583313 0.658292 0.038 Uiso 0.7 1 calc R U P A 1
H9B H 0.448762 0.748052 0.660829 0.038 Uiso 0.7 1 calc R U P A 1
C10 C 0.3863(5) 0.7062(12) 0.5672(5) 0.027(2) Uani 0.7 1 d . U P A 1
C11 C 0.3464(3) 0.5983(8) 0.5282(3) 0.0279(12) Uani 0.7 1 d . U P A 1
H11 H 0.350313 0.494496 0.541654 0.033 Uiso 0.7 1 calc R U P A 1
C12 C 0.3026(2) 0.6431(7) 0.4717(3) 0.0325(13) Uani 0.7 1 d . U P A 1
H12 H 0.276389 0.569191 0.445829 0.039 Uiso 0.7 1 calc R U P A 1
C13 C 0.2947(4) 0.8000(10) 0.4496(5) 0.0279(19) Uani 0.7 1 d . U P A 1
C14 C 0.2489(3) 0.8491(12) 0.3926(4) 0.0413(17) Uani 0.7 1 d . U P A 1
H14 H 0.222105 0.777570 0.365823 0.050 Uiso 0.7 1 calc R U P A 1
C15 C 0.2427(8) 0.9994(16) 0.3753(8) 0.054(4) Uani 0.7 1 d . U P A 1
H15 H 0.211386 1.032116 0.336790 0.065 Uiso 0.7 1 calc R U P A 1
C16 C 0.2824(4) 1.1056(11) 0.4143(5) 0.049(2) Uani 0.7 1 d . U P A 1
H16 H 0.278093 1.209803 0.401608 0.059 Uiso 0.7 1 calc R U P A 1
C17 C 0.3265(3) 1.0611(9) 0.4697(3) 0.0375(15) Uani 0.7 1 d . U P A 1
H17 H 0.352937 1.134290 0.495826 0.045 Uiso 0.7 1 calc R U P A 1
C18 C 0.3337(3) 0.9065(9) 0.4894(4) 0.0243(15) Uani 0.7 1 d . U P A 1
C19 C 0.3796(3) 0.8546(10) 0.5477(3) 0.0273(14) Uani 0.7 1 d . U P A 1
H19 H 0.406505 0.926387 0.573992 0.033 Uiso 0.7 1 calc R U P A 1
C7' C 0.52654(17) 0.7140(5) 0.5961(2) 0.0321(9) Uani 0.3 1 d . . P A 2
H7'1 H 0.542259 0.683805 0.556928 0.039 Uiso 0.3 1 calc R U P A 2
H7'2 H 0.504975 0.809867 0.582595 0.039 Uiso 0.3 1 calc R U P A 2
C8' C 0.48616(16) 0.5890(5) 0.60882(18) 0.0275(8) Uani 0.3 1 d . . P A 2
H8' H 0.471577 0.525862 0.565045 0.033 Uiso 0.3 1 calc R U P A 2
C9' C 0.43505(16) 0.6586(5) 0.63019(19) 0.0318(9) Uani 0.3 1 d D . P A 2
H9'1 H 0.411885 0.575972 0.642138 0.038 Uiso 0.3 1 calc R U P A 2
H9'2 H 0.450046 0.721937 0.673131 0.038 Uiso 0.3 1 calc R U P A 2
C10' C 0.3965(11) 0.756(3) 0.5707(14) 0.031(6) Uani 0.3 1 d D U P A 2
C11' C 0.4012(9) 0.916(2) 0.5619(9) 0.037(4) Uani 0.3 1 d . U P A 2
H11' H 0.432872 0.965482 0.593958 0.044 Uiso 0.3 1 calc R U P A 2
C12' C 0.3647(7) 1.004(2) 0.5120(9) 0.043(4) Uani 0.3 1 d . U P A 2
H12' H 0.369614 1.110836 0.512959 0.052 Uiso 0.3 1 calc R U P A 2
C13' C 0.3219(9) 0.940(3) 0.4616(10) 0.039(5) Uani 0.3 1 d . U P A 2
C14' C 0.2798(12) 1.029(3) 0.4050(12) 0.049(5) Uani 0.3 1 d . U P A 2
H14' H 0.283074 1.135515 0.401671 0.059 Uiso 0.3 1 calc R U P A 2
C15' C 0.2381(14) 0.954(3) 0.3602(16) 0.034(5) Uani 0.3 1 d . U P A 2
H15' H 0.209666 1.008939 0.325849 0.041 Uiso 0.3 1 calc R U P A 2
C16' C 0.2340(8) 0.795(3) 0.3611(12) 0.054(5) Uani 0.3 1 d . U P A 2
H16' H 0.205095 0.746017 0.324685 0.065 Uiso 0.3 1 calc R U P A 2
C17' C 0.2703(8) 0.708(3) 0.4128(11) 0.059(5) Uani 0.3 1 d . U P A 2
H17' H 0.265874 0.600972 0.412430 0.070 Uiso 0.3 1 calc R U P A 2
C18' C 0.3119(10) 0.775(3) 0.4636(12) 0.035(5) Uani 0.3 1 d D U P A 2
C19' C 0.3537(8) 0.687(3) 0.5201(11) 0.051(5) Uani 0.3 1 d D U P A 2
H19' H 0.350339 0.579395 0.520829 0.061 Uiso 0.3 1 calc R U P A 2
C20 C 0.57427(14) 0.3346(6) 0.64609(17) 0.0282(7) Uani 1 1 d . . . . .
C21 C 0.6065(2) 0.4144(6) 0.5994(2) 0.0424(11) Uani 1 1 d . . . . .
H21A H 0.631212 0.494093 0.626993 0.064 Uiso 1 1 calc R U . . .
H21B H 0.578728 0.459604 0.558012 0.064 Uiso 1 1 calc R U . . .
H21C H 0.630185 0.340276 0.583458 0.064 Uiso 1 1 calc R U . . .
C22 C 0.61780(16) 0.2641(5) 0.7099(2) 0.0340(9) Uani 1 1 d . . . . .
H22A H 0.597533 0.211070 0.739331 0.051 Uiso 1 1 calc R U . . .
H22B H 0.642061 0.343907 0.738010 0.051 Uiso 1 1 calc R U . . .
H22C H 0.641843 0.191794 0.693552 0.051 Uiso 1 1 calc R U . . .
C23 C 0.53605(19) 0.2106(5) 0.6023(2) 0.0439(11) Uani 1 1 d . . . . .
H23A H 0.559149 0.144809 0.581096 0.066 Uiso 1 1 calc R U . . .
H23B H 0.505254 0.257335 0.564514 0.066 Uiso 1 1 calc R U . . .
H23C H 0.519270 0.150244 0.633082 0.066 Uiso 1 1 calc R U . . .
C24 C 0.37669(16) 0.0739(5) 0.7778(2) 0.0338(9) Uani 1 1 d . . . . .
C25 C 0.36241(19) -0.0153(5) 0.7163(2) 0.0422(11) Uani 1 1 d . . . . .
H25 H 0.387250 -0.019790 0.686863 0.051 Uiso 1 1 calc R U . . .
C26 C 0.3120(2) -0.0961(6) 0.6990(3) 0.0549(13) Uani 1 1 d . . . . .
H26 H 0.302010 -0.157396 0.657562 0.066 Uiso 1 1 calc R U . . .
C27 C 0.2756(2) -0.0891(7) 0.7414(3) 0.0614(15) Uani 1 1 d . . . . .
H27 H 0.240819 -0.145473 0.728656 0.074 Uiso 1 1 calc R U . . .
C28 C 0.2892(2) -0.0012(6) 0.8020(3) 0.0523(13) Uani 1 1 d . . . . .
H28 H 0.263886 0.002457 0.830807 0.063 Uiso 1 1 calc R U . . .
C29 C 0.34031(17) 0.0825(5) 0.8212(2) 0.0380(10) Uani 1 1 d . . . . .
C30 C 0.3619(2) 0.1748(6) 0.8877(3) 0.0400(11) Uani 1 1 d . . . . .
H30A H 0.375207 0.106955 0.929352 0.048 Uiso 1 1 calc R U . . .
H30B H 0.330709 0.239537 0.894567 0.048 Uiso 1 1 calc R U . . .
C31 C 0.41232(17) 0.2749(5) 0.8807(2) 0.0316(9) Uani 1 1 d . . . . .
H31 H 0.441789 0.287645 0.927726 0.038 Uiso 1 1 calc R U . . .
C32 C 0.39114(18) 0.4303(5) 0.8473(2) 0.0359(10) Uani 1 1 d . . . . .
H32A H 0.424274 0.486302 0.840047 0.043 Uiso 1 1 calc R U . . .
H32B H 0.363363 0.413441 0.800047 0.043 Uiso 1 1 calc R U . . .
C33 C 0.36313(18) 0.5273(5) 0.8904(2) 0.0292(9) Uani 1 1 d . . . . .
C34 C 0.39544(17) 0.5856(5) 0.9572(2) 0.0361(9) Uani 1 1 d . . . . .
H34 H 0.434650 0.557499 0.975835 0.043 Uiso 1 1 calc R U . . .
C35 C 0.37157(18) 0.6807(5) 0.9952(2) 0.0384(10) Uani 1 1 d . . . . .
H35 H 0.394437 0.718348 1.039631 0.046 Uiso 1 1 calc R U . . .
C36 C 0.31324(17) 0.7244(5) 0.9696(2) 0.0312(9) Uani 1 1 d . . . . .
C37 C 0.2865(2) 0.8232(7) 1.0070(2) 0.0438(10) Uani 1 1 d . . . . .
H37 H 0.308591 0.866827 1.050442 0.053 Uiso 1 1 calc R U . . .
C38 C 0.2294(2) 0.8570(6) 0.9816(2) 0.0499(12) Uani 1 1 d . . . . .
H38 H 0.212293 0.924360 1.007275 0.060 Uiso 1 1 calc R U . . .
C39 C 0.19596(19) 0.7933(5) 0.9181(2) 0.0444(11) Uani 1 1 d . . . . .
H39 H 0.156069 0.815402 0.901338 0.053 Uiso 1 1 calc R U . . .
C40 C 0.22059(18) 0.6996(5) 0.8803(2) 0.0385(10) Uani 1 1 d . . . . .
H40 H 0.197549 0.657483 0.836968 0.046 Uiso 1 1 calc R U . . .
C41 C 0.27980(16) 0.6634(4) 0.9042(2) 0.0277(8) Uani 1 1 d . . . . .
C42 C 0.30603(17) 0.5663(5) 0.8658(2) 0.0306(8) Uani 1 1 d . . . . .
H42 H 0.283581 0.526677 0.821581 0.037 Uiso 1 1 calc R U . . .
C43 C 0.49362(17) 0.0182(5) 0.8608(2) 0.0324(9) Uani 1 1 d . . . . .
C44 C 0.5139(2) -0.0573(6) 0.8023(3) 0.0555(13) Uani 1 1 d . . . . .
H44A H 0.539588 -0.141845 0.822470 0.083 Uiso 1 1 calc R U . . .
H44B H 0.534504 0.017039 0.781791 0.083 Uiso 1 1 calc R U . . .
H44C H 0.480587 -0.095413 0.765180 0.083 Uiso 1 1 calc R U . . .
C45 C 0.54520(19) 0.0820(6) 0.9169(3) 0.0471(11) Uani 1 1 d . . . . .
H45A H 0.532082 0.137476 0.952479 0.071 Uiso 1 1 calc R U . . .
H45B H 0.566353 0.150961 0.894448 0.071 Uiso 1 1 calc R U . . .
H45C H 0.570429 -0.001304 0.939917 0.071 Uiso 1 1 calc R U . . .
C46 C 0.4642(2) -0.1011(5) 0.8944(3) 0.0458(11) Uani 1 1 d . . . . .
H46A H 0.491534 -0.182217 0.914820 0.069 Uiso 1 1 calc R U . . .
H46B H 0.431317 -0.143611 0.858064 0.069 Uiso 1 1 calc R U . . .
H46C H 0.450861 -0.054029 0.931921 0.069 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
Pd1 Cl2 2.2998(10) . ?
Pd1 Cl1 2.3034(9) . ?
Pd1 P1 2.3272(9) . ?
Pd1 P2 2.3348(10) . ?
P1 C1 1.807(4) . ?
P1 C8' 1.851(4) . ?
P1 C8 1.851(4) . ?
P1 C20 1.881(4) . ?
P2 C24 1.811(4) . ?
P2 C31 1.852(4) . ?
P2 C43 1.881(4) . ?
C1 C6 1.400(5) . ?
C1 C2 1.403(5) . ?
C2 C3 1.382(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.375(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(6) . ?
C5 H5 0.9500 . ?
C6 C7' 1.511(5) . ?
C6 C7 1.511(5) . ?
C7 C8 1.544(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.549(5) . ?
C8 H8 1.0000 . ?
C9 C10 1.506(11) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C19 1.359(12) . ?
C10 C11 1.415(11) . ?
C11 C12 1.358(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.446(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.401(10) . ?
C13 C18 1.403(13) . ?
C14 C15 1.365(18) . ?
C14 H14 0.9500 . ?
C15 C16 1.404(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.348(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.414(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.423(10) . ?
C19 H19 0.9500 . ?
C7' C8' 1.544(6) . ?
C7' H7'1 0.9900 . ?
C7' H7'2 0.9900 . ?
C8' C9' 1.549(5) . ?
C8' H8' 1.0000 . ?
C9' C10' 1.53(2) . ?
C9' H9'1 0.9900 . ?
C9' H9'2 0.9900 . ?
C10' C19' 1.36(3) . ?
C10' C11' 1.43(3) . ?
C11' C12' 1.36(2) . ?
C11' H11' 0.9500 . ?
C12' C13' 1.34(3) . ?
C12' H12' 0.9500 . ?
C13' C18' 1.47(4) . ?
C13' C14' 1.50(3) . ?
C14' C15' 1.31(4) . ?
C14' H14' 0.9500 . ?
C15' C16' 1.40(4) . ?
C15' H15' 0.9500 . ?
C16' C17' 1.37(3) . ?
C16' H16' 0.9500 . ?
C17' C18' 1.34(3) . ?
C17' H17' 0.9500 . ?
C18' C19' 1.49(2) . ?
C19' H19' 0.9500 . ?
C20 C22 1.522(5) . ?
C20 C23 1.529(6) . ?
C20 C21 1.540(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.397(5) . ?
C24 C25 1.401(6) . ?
C25 C26 1.374(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.380(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.400(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.501(7) . ?
C30 C31 1.548(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.542(6) . ?
C31 H31 1.0000 . ?
C32 C33 1.499(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C42 1.375(6) . ?
C33 C34 1.418(6) . ?
C34 C35 1.360(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.415(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.414(6) . ?
C36 C41 1.414(5) . ?
C37 C38 1.366(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.395(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.361(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.416(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.410(5) . ?
C42 H42 0.9500 . ?
C43 C45 1.519(6) . ?
C43 C46 1.526(6) . ?
C43 C44 1.528(6) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 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
Cl2 Pd1 Cl1 170.64(4) . . ?
Cl2 Pd1 P1 87.95(3) . . ?
Cl1 Pd1 P1 92.68(3) . . ?
Cl2 Pd1 P2 91.91(4) . . ?
Cl1 Pd1 P2 88.72(4) . . ?
P1 Pd1 P2 172.22(4) . . ?
C1 P1 C8' 92.41(18) . . ?
C1 P1 C8 92.41(18) . . ?
C1 P1 C20 102.37(18) . . ?
C8' P1 C20 109.19(16) . . ?
C8 P1 C20 109.19(16) . . ?
C1 P1 Pd1 124.51(12) . . ?
C8' P1 Pd1 117.56(13) . . ?
C8 P1 Pd1 117.56(13) . . ?
C20 P1 Pd1 108.86(14) . . ?
C24 P2 C31 92.19(19) . . ?
C24 P2 C43 102.6(2) . . ?
C31 P2 C43 112.48(18) . . ?
C24 P2 Pd1 121.52(14) . . ?
C31 P2 Pd1 113.65(14) . . ?
C43 P2 Pd1 112.57(13) . . ?
C6 C1 C2 119.8(4) . . ?
C6 C1 P1 110.7(3) . . ?
C2 C1 P1 129.1(3) . . ?
C3 C2 C1 119.1(4) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.9(4) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 C7' 124.3(3) . . ?
C1 C6 C7' 115.7(3) . . ?
C5 C6 C7 124.3(3) . . ?
C1 C6 C7 115.7(3) . . ?
C6 C7 C8 108.7(3) . . ?
C6 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 C9 111.0(3) . . ?
C7 C8 P1 105.9(2) . . ?
C9 C8 P1 109.9(2) . . ?
C7 C8 H8 110.0 . . ?
C9 C8 H8 110.0 . . ?
P1 C8 H8 110.0 . . ?
C10 C9 C8 112.9(5) . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C19 C10 C11 119.1(8) . . ?
C19 C10 C9 120.1(7) . . ?
C11 C10 C9 120.7(8) . . ?
C12 C11 C10 120.0(7) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 122.0(7) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C18 119.5(8) . . ?
C14 C13 C12 122.9(9) . . ?
C18 C13 C12 117.6(7) . . ?
C15 C14 C13 120.4(10) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.1(13) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 120.6(10) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 120.6(8) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 118.8(7) . . ?
C13 C18 C19 118.7(7) . . ?
C17 C18 C19 122.5(8) . . ?
C10 C19 C18 122.6(8) . . ?
C10 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
C6 C7' C8' 108.7(3) . . ?
C6 C7' H7'1 109.9 . . ?
C8' C7' H7'1 109.9 . . ?
C6 C7' H7'2 109.9 . . ?
C8' C7' H7'2 109.9 . . ?
H7'1 C7' H7'2 108.3 . . ?
C7' C8' C9' 111.0(3) . . ?
C7' C8' P1 105.9(2) . . ?
C9' C8' P1 109.9(2) . . ?
C7' C8' H8' 110.0 . . ?
C9' C8' H8' 110.0 . . ?
P1 C8' H8' 110.0 . . ?
C10' C9' C8' 112.2(12) . . ?
C10' C9' H9'1 109.2 . . ?
C8' C9' H9'1 109.2 . . ?
C10' C9' H9'2 109.2 . . ?
C8' C9' H9'2 109.2 . . ?
H9'1 C9' H9'2 107.9 . . ?
C19' C10' C11' 115(2) . . ?
C19' C10' C9' 118.5(19) . . ?
C11' C10' C9' 126.3(17) . . ?
C12' C11' C10' 126(2) . . ?
C12' C11' H11' 116.8 . . ?
C10' C11' H11' 116.8 . . ?
C13' C12' C11' 120(2) . . ?
C13' C12' H12' 120.1 . . ?
C11' C12' H12' 120.1 . . ?
C12' C13' C18' 120(2) . . ?
C12' C13' C14' 123(2) . . ?
C18' C13' C14' 117(2) . . ?
C15' C14' C13' 118(3) . . ?
C15' C14' H14' 121.2 . . ?
C13' C14' H14' 121.2 . . ?
C14' C15' C16' 123(3) . . ?
C14' C15' H15' 118.7 . . ?
C16' C15' H15' 118.7 . . ?
C17' C16' C15' 122(2) . . ?
C17' C16' H16' 118.9 . . ?
C15' C16' H16' 118.9 . . ?
C18' C17' C16' 120(2) . . ?
C18' C17' H17' 120.2 . . ?
C16' C17' H17' 120.2 . . ?
C17' C18' C13' 120.7(19) . . ?
C17' C18' C19' 122(3) . . ?
C13' C18' C19' 117(2) . . ?
C10' C19' C18' 122(2) . . ?
C10' C19' H19' 119.2 . . ?
C18' C19' H19' 119.2 . . ?
C22 C20 C23 109.7(4) . . ?
C22 C20 C21 109.0(3) . . ?
C23 C20 C21 108.8(3) . . ?
C22 C20 P1 106.6(2) . . ?
C23 C20 P1 110.6(2) . . ?
C21 C20 P1 112.1(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 121.1(4) . . ?
C29 C24 P2 110.8(3) . . ?
C25 C24 P2 127.9(3) . . ?
C26 C25 C24 119.0(4) . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C25 C26 C27 120.7(5) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 120.7(5) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 120.1(5) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 118.4(4) . . ?
C24 C29 C30 115.9(4) . . ?
C28 C29 C30 125.5(4) . . ?
C29 C30 C31 108.5(3) . . ?
C29 C30 H30A 110.0 . . ?
C31 C30 H30A 110.0 . . ?
C29 C30 H30B 110.0 . . ?
C31 C30 H30B 110.0 . . ?
H30A C30 H30B 108.4 . . ?
C32 C31 C30 111.7(3) . . ?
C32 C31 P2 106.7(3) . . ?
C30 C31 P2 105.9(3) . . ?
C32 C31 H31 110.8 . . ?
C30 C31 H31 110.8 . . ?
P2 C31 H31 110.8 . . ?
C33 C32 C31 114.7(3) . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C31 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C42 C33 C34 117.9(4) . . ?
C42 C33 C32 121.4(4) . . ?
C34 C33 C32 120.7(4) . . ?
C35 C34 C33 121.5(4) . . ?
C35 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
C34 C35 C36 121.0(4) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C37 C36 C41 118.5(4) . . ?
C37 C36 C35 123.2(4) . . ?
C41 C36 C35 118.3(4) . . ?
C38 C37 C36 121.1(4) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C37 C38 C39 120.5(4) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C40 C39 C38 119.9(4) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 121.4(4) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 H40 119.3 . . ?
C42 C41 C36 119.2(4) . . ?
C42 C41 C40 122.2(4) . . ?
C36 C41 C40 118.6(4) . . ?
C33 C42 C41 122.0(4) . . ?
C33 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
C45 C43 C46 109.4(4) . . ?
C45 C43 C44 109.3(4) . . ?
C46 C43 C44 108.7(4) . . ?
C45 C43 P2 110.5(3) . . ?
C46 C43 P2 112.1(3) . . ?
C44 C43 P2 106.8(3) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 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 C1 C6 -17.1(3) . . . . ?
C8 P1 C1 C6 -17.1(3) . . . . ?
C20 P1 C1 C6 93.2(3) . . . . ?
Pd1 P1 C1 C6 -143.3(2) . . . . ?
C8' P1 C1 C2 170.5(4) . . . . ?
C8 P1 C1 C2 170.5(4) . . . . ?
C20 P1 C1 C2 -79.2(4) . . . . ?
Pd1 P1 C1 C2 44.3(4) . . . . ?
C6 C1 C2 C3 -2.2(5) . . . . ?
P1 C1 C2 C3 169.6(3) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
C2 C3 C4 C5 0.6(6) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C4 C5 C6 C1 -1.1(6) . . . . ?
C4 C5 C6 C7' -176.4(4) . . . . ?
C4 C5 C6 C7 -176.4(4) . . . . ?
C2 C1 C6 C5 2.4(5) . . . . ?
P1 C1 C6 C5 -170.8(3) . . . . ?
C2 C1 C6 C7' 178.1(3) . . . . ?
P1 C1 C6 C7' 4.9(4) . . . . ?
C2 C1 C6 C7 178.1(3) . . . . ?
P1 C1 C6 C7 4.9(4) . . . . ?
C5 C6 C7 C8 -171.2(4) . . . . ?
C1 C6 C7 C8 13.4(4) . . . . ?
C6 C7 C8 C9 95.0(3) . . . . ?
C6 C7 C8 P1 -24.3(4) . . . . ?
C1 P1 C8 C7 23.6(3) . . . . ?
C20 P1 C8 C7 -80.4(3) . . . . ?
Pd1 P1 C8 C7 155.0(2) . . . . ?
C1 P1 C8 C9 -96.4(3) . . . . ?
C20 P1 C8 C9 159.6(3) . . . . ?
Pd1 P1 C8 C9 35.0(3) . . . . ?
C7 C8 C9 C10 84.3(6) . . . . ?
P1 C8 C9 C10 -158.8(5) . . . . ?
C8 C9 C10 C19 -100.8(9) . . . . ?
C8 C9 C10 C11 80.2(10) . . . . ?
C19 C10 C11 C12 0.8(14) . . . . ?
C9 C10 C11 C12 179.8(7) . . . . ?
C10 C11 C12 C13 -0.5(11) . . . . ?
C11 C12 C13 C14 -178.3(7) . . . . ?
C11 C12 C13 C18 -0.7(12) . . . . ?
C18 C13 C14 C15 0.7(15) . . . . ?
C12 C13 C14 C15 178.2(11) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
C15 C16 C17 C18 0.3(15) . . . . ?
C14 C13 C18 C17 -1.4(13) . . . . ?
C12 C13 C18 C17 -179.0(7) . . . . ?
C14 C13 C18 C19 179.2(7) . . . . ?
C12 C13 C18 C19 1.6(12) . . . . ?
C16 C17 C18 C13 0.9(12) . . . . ?
C16 C17 C18 C19 -179.8(8) . . . . ?
C11 C10 C19 C18 0.1(14) . . . . ?
C9 C10 C19 C18 -178.9(7) . . . . ?
C13 C18 C19 C10 -1.4(12) . . . . ?
C17 C18 C19 C10 179.3(8) . . . . ?
C5 C6 C7' C8' -171.2(4) . . . . ?
C1 C6 C7' C8' 13.4(4) . . . . ?
C6 C7' C8' C9' 95.0(3) . . . . ?
C6 C7' C8' P1 -24.3(4) . . . . ?
C1 P1 C8' C7' 23.6(3) . . . . ?
C20 P1 C8' C7' -80.4(3) . . . . ?
Pd1 P1 C8' C7' 155.0(2) . . . . ?
C1 P1 C8' C9' -96.4(3) . . . . ?
C20 P1 C8' C9' 159.6(3) . . . . ?
Pd1 P1 C8' C9' 35.0(3) . . . . ?
C7' C8' C9' C10' 63.9(10) . . . . ?
P1 C8' C9' C10' -179.3(9) . . . . ?
C8' C9' C10' C19' 86(2) . . . . ?
C8' C9' C10' C11' -93(3) . . . . ?
C19' C10' C11' C12' 6(4) . . . . ?
C9' C10' C11' C12' -175.3(18) . . . . ?
C10' C11' C12' C13' -5(3) . . . . ?
C11' C12' C13' C18' 5(3) . . . . ?
C11' C12' C13' C14' 179.7(18) . . . . ?
C12' C13' C14' C15' -177(2) . . . . ?
C18' C13' C14' C15' -2(3) . . . . ?
C13' C14' C15' C16' -4(4) . . . . ?
C14' C15' C16' C17' 6(4) . . . . ?
C15' C16' C17' C18' -1(3) . . . . ?
C16' C17' C18' C13' -5(3) . . . . ?
C16' C17' C18' C19' -178(2) . . . . ?
C12' C13' C18' C17' -178(2) . . . . ?
C14' C13' C18' C17' 6(3) . . . . ?
C12' C13' C18' C19' -4(3) . . . . ?
C14' C13' C18' C19' -179.7(19) . . . . ?
C11' C10' C19' C18' -5(4) . . . . ?
C9' C10' C19' C18' 175.7(19) . . . . ?
C17' C18' C19' C10' 179(2) . . . . ?
C13' C18' C19' C10' 5(3) . . . . ?
C1 P1 C20 C22 72.0(3) . . . . ?
C8' P1 C20 C22 169.0(3) . . . . ?
C8 P1 C20 C22 169.0(3) . . . . ?
Pd1 P1 C20 C22 -61.5(3) . . . . ?
C1 P1 C20 C23 -168.8(3) . . . . ?
C8' P1 C20 C23 -71.8(3) . . . . ?
C8 P1 C20 C23 -71.8(3) . . . . ?
Pd1 P1 C20 C23 57.7(3) . . . . ?
C1 P1 C20 C21 -47.2(3) . . . . ?
C8' P1 C20 C21 49.8(3) . . . . ?
C8 P1 C20 C21 49.8(3) . . . . ?
Pd1 P1 C20 C21 179.3(2) . . . . ?
C31 P2 C24 C29 -15.4(3) . . . . ?
C43 P2 C24 C29 98.2(3) . . . . ?
Pd1 P2 C24 C29 -135.0(3) . . . . ?
C31 P2 C24 C25 170.5(4) . . . . ?
C43 P2 C24 C25 -75.9(4) . . . . ?
Pd1 P2 C24 C25 50.9(5) . . . . ?
C29 C24 C25 C26 -0.5(7) . . . . ?
P2 C24 C25 C26 173.0(4) . . . . ?
C24 C25 C26 C27 0.4(8) . . . . ?
C25 C26 C27 C28 -0.2(8) . . . . ?
C26 C27 C28 C29 0.1(8) . . . . ?
C25 C24 C29 C28 0.5(6) . . . . ?
P2 C24 C29 C28 -174.1(4) . . . . ?
C25 C24 C29 C30 176.7(4) . . . . ?
P2 C24 C29 C30 2.1(5) . . . . ?
C27 C28 C29 C24 -0.3(7) . . . . ?
C27 C28 C29 C30 -176.1(5) . . . . ?
C24 C29 C30 C31 15.9(5) . . . . ?
C28 C29 C30 C31 -168.2(4) . . . . ?
C29 C30 C31 C32 90.3(4) . . . . ?
C29 C30 C31 P2 -25.5(4) . . . . ?
C24 P2 C31 C32 -95.8(3) . . . . ?
C43 P2 C31 C32 159.6(3) . . . . ?
Pd1 P2 C31 C32 30.2(3) . . . . ?
C24 P2 C31 C30 23.3(3) . . . . ?
C43 P2 C31 C30 -81.3(3) . . . . ?
Pd1 P2 C31 C30 149.3(2) . . . . ?
C30 C31 C32 C33 63.3(5) . . . . ?
P2 C31 C32 C33 178.5(3) . . . . ?
C31 C32 C33 C42 -115.5(4) . . . . ?
C31 C32 C33 C34 66.5(5) . . . . ?
C42 C33 C34 C35 -1.9(6) . . . . ?
C32 C33 C34 C35 176.2(4) . . . . ?
C33 C34 C35 C36 0.4(7) . . . . ?
C34 C35 C36 C37 -179.8(4) . . . . ?
C34 C35 C36 C41 1.7(6) . . . . ?
C41 C36 C37 C38 1.3(7) . . . . ?
C35 C36 C37 C38 -177.1(5) . . . . ?
C36 C37 C38 C39 0.5(8) . . . . ?
C37 C38 C39 C40 -1.5(7) . . . . ?
C38 C39 C40 C41 0.6(7) . . . . ?
C37 C36 C41 C42 179.1(4) . . . . ?
C35 C36 C41 C42 -2.4(6) . . . . ?
C37 C36 C41 C40 -2.2(6) . . . . ?
C35 C36 C41 C40 176.3(4) . . . . ?
C39 C40 C41 C42 179.9(4) . . . . ?
C39 C40 C41 C36 1.3(6) . . . . ?
C34 C33 C42 C41 1.2(6) . . . . ?
C32 C33 C42 C41 -176.9(4) . . . . ?
C36 C41 C42 C33 0.9(6) . . . . ?
C40 C41 C42 C33 -177.7(4) . . . . ?
C24 P2 C43 C45 -161.0(3) . . . . ?
C31 P2 C43 C45 -63.2(3) . . . . ?
Pd1 P2 C43 C45 66.7(3) . . . . ?
C24 P2 C43 C46 -38.6(3) . . . . ?
C31 P2 C43 C46 59.1(4) . . . . ?
Pd1 P2 C43 C46 -170.9(3) . . . . ?
C24 P2 C43 C44 80.3(3) . . . . ?
C31 P2 C43 C44 178.0(3) . . . . ?
Pd1 P2 C43 C44 -52.0(3) . . . . ?

_refine_diff_density_max         0.369
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.058

