# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_mo_210112_zjq210112_0m
_database_code_depnum_ccdc_archive 'CCDC 2058762'
loop_
_audit_author_name
_audit_author_address
'Hongbin Zou'
;Zhejiang University
China
;
_audit_update_record             
;
2021-01-26 deposited with the CCDC.	2022-01-13 downloaded from the CCDC.
;
_audit_creation_date             2021-01-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        'dimer 5,6-membered palladacycle'
_chemical_formula_moiety         '2(C26 H30 N6 O4 Pd2), 2.5(C H2 Cl2)'
_chemical_formula_sum            'C54.50 H65 Cl5 N12 O8 Pd4'
_chemical_formula_weight         1619.03
_chemical_melting_point          ?
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'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   39.352(5)
_cell_length_b                   14.1869(16)
_cell_length_c                   22.175(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.411(6)
_cell_angle_gamma                90
_cell_volume                     12302(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.63
_shelx_estimated_absorpt_T_max   0.734
_shelx_estimated_absorpt_T_min   0.613
_exptl_absorpt_coefficient_mu    1.430
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1578 before and 0.0472 after correction.
The Ratio of minimum to maximum transmission is 0.8854.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6472
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            100301
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.064
_diffrn_reflns_theta_min         2.018
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'zju Bruker D8 Venture Ims3.0'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12095
_reflns_number_total             13447
_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       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_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         1.092
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         13447
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0242
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0253P)²+31.2743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0596
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(Cl3)=Sof(Cl4)=Sof(C54)=Sof(H54A)=Sof(H54B)=1-FVAR(1)
 Sof(Cl5)=Sof(Cl6)=Sof(C55)=Sof(H55A)=Sof(H55B)=FVAR(1)
 Fixed Sof: H56A(0.5) H56B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C23(H23A,H23B), C24(H24A,H24B), C36(H36A,
 H36B), C37(H37A,H37B), C49(H49A,H49B), C50(H50A,H50B), C53(H53A,H53B),
 C56(H56A,H56B), C55(H55A,H55B), C54(H54A,H54B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C14(H14), C15(H15), C16(H16),
 C17(H17), C20(H20), C27(H27), C28(H28), C29(H29), C30(H30), C33(H33), C40(H40),
  C41(H41), C42(H42), C43(H43), C46(H46)
3.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C51(H51A,H51B,H51C), C52(H52A,
 H52B,H52C)
;
_atom_sites_solution_hydrogens   geom
_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 0.59339(2) 0.59707(2) 0.49339(2) 0.02198(4) Uani 1 1 d . . . . .
Pd2 Pd 0.60736(2) 0.73288(2) 0.39830(2) 0.02102(4) Uani 1 1 d . . . . .
O1 O 0.54449(5) 0.54947(13) 0.64293(8) 0.0354(4) Uani 1 1 d . . . . .
O2 O 0.62285(4) 0.71098(12) 0.48879(7) 0.0251(3) Uani 1 1 d . . . . .
O3 O 0.57477(5) 0.85937(13) 0.23716(8) 0.0398(5) Uani 1 1 d . . . . .
O4 O 0.60661(4) 0.59227(11) 0.40660(7) 0.0258(3) Uani 1 1 d . . . . .
N1 N 0.56264(5) 0.48579(14) 0.49659(9) 0.0278(4) Uani 1 1 d . . . . .
N2 N 0.54815(5) 0.48375(15) 0.54999(9) 0.0278(4) Uani 1 1 d . . . . .
N3 N 0.58244(5) 0.61096(14) 0.57925(9) 0.0243(4) Uani 1 1 d . . . . .
N4 N 0.59688(5) 0.90100(14) 0.33279(9) 0.0276(4) Uani 1 1 d . . . . .
N5 N 0.60699(5) 0.87304(14) 0.39110(8) 0.0246(4) Uani 1 1 d . . . . .
N6 N 0.59248(5) 0.74328(14) 0.30901(8) 0.0243(4) Uani 1 1 d . . . . .
C1 C 0.50647(8) 0.2821(2) 0.47982(13) 0.0396(6) Uani 1 1 d . . . . .
H1 H 0.506768 0.250310 0.442174 0.048 Uiso 1 1 calc R . . . .
C2 C 0.48654(8) 0.2504(2) 0.52255(14) 0.0427(7) Uani 1 1 d . . . . .
H2 H 0.472842 0.195750 0.514323 0.051 Uiso 1 1 calc R . . . .
C3 C 0.48601(7) 0.2974(2) 0.57842(13) 0.0402(7) Uani 1 1 d . . . . .
H3 H 0.471929 0.273283 0.606957 0.048 Uiso 1 1 calc R . . . .
C4 C 0.50519(7) 0.3769(2) 0.59310(12) 0.0352(6) Uani 1 1 d . . . . .
H4 H 0.504520 0.408374 0.630757 0.042 Uiso 1 1 calc R . . . .
C5 C 0.52582(6) 0.40921(18) 0.54956(11) 0.0288(5) Uani 1 1 d . . . . .
C6 C 0.52648(7) 0.36320(18) 0.49350(11) 0.0307(5) Uani 1 1 d . . . . .
C7 C 0.55003(7) 0.41512(18) 0.46268(11) 0.0322(6) Uani 1 1 d . . . . .
H7 H 0.555866 0.400971 0.423243 0.039 Uiso 1 1 calc R . . . .
C8 C 0.55850(6) 0.55344(17) 0.59599(11) 0.0274(5) Uani 1 1 d . . . . .
C9 C 0.59621(6) 0.68642(16) 0.62221(10) 0.0243(5) Uani 1 1 d . . . . .
C10 C 0.62687(6) 0.73485(18) 0.59759(10) 0.0266(5) Uani 1 1 d . . . . .
H10A H 0.635439 0.784172 0.627013 0.032 Uiso 1 1 calc R . . . .
H10B H 0.645264 0.687382 0.596962 0.032 Uiso 1 1 calc R . . . .
C11 C 0.62139(6) 0.78033(17) 0.53496(10) 0.0264(5) Uani 1 1 d . . . . .
H11A H 0.598843 0.812025 0.529622 0.032 Uiso 1 1 calc R . . . .
H11B H 0.639239 0.828573 0.531452 0.032 Uiso 1 1 calc R . . . .
C12 C 0.56809(7) 0.75923(18) 0.63027(11) 0.0292(5) Uani 1 1 d . . . . .
H12A H 0.559139 0.784621 0.590554 0.044 Uiso 1 1 calc GR . . . .
H12B H 0.577691 0.810624 0.656369 0.044 Uiso 1 1 calc GR . . . .
H12C H 0.549538 0.728803 0.649038 0.044 Uiso 1 1 calc GR . . . .
C13 C 0.60993(7) 0.64293(18) 0.68414(11) 0.0299(5) Uani 1 1 d . . . . .
H13A H 0.590685 0.621870 0.705218 0.045 Uiso 1 1 calc GR . . . .
H13B H 0.623160 0.690368 0.708847 0.045 Uiso 1 1 calc GR . . . .
H13C H 0.624642 0.588990 0.677599 0.045 Uiso 1 1 calc GR . . . .
C14 C 0.58910(8) 1.05937(19) 0.27996(12) 0.0374(6) Uani 1 1 d . . . . .
H14 H 0.582208 1.036937 0.240108 0.045 Uiso 1 1 calc R . . . .
C15 C 0.59215(8) 1.1541(2) 0.29285(13) 0.0422(7) Uani 1 1 d . . . . .
H15 H 0.586902 1.197960 0.260791 0.051 Uiso 1 1 calc R . . . .
C16 C 0.60269(8) 1.1889(2) 0.35135(14) 0.0422(7) Uani 1 1 d . . . . .
H16 H 0.604440 1.254975 0.357746 0.051 Uiso 1 1 calc R . . . .
C17 C 0.61050(8) 1.12845(19) 0.39946(12) 0.0369(6) Uani 1 1 d . . . . .
H17 H 0.617807 1.151681 0.438969 0.044 Uiso 1 1 calc R . . . .
C18 C 0.60731(6) 1.03124(18) 0.38813(11) 0.0282(5) Uani 1 1 d . . . . .
C19 C 0.59679(6) 0.99780(17) 0.32924(11) 0.0284(5) Uani 1 1 d . . . . .
C20 C 0.61318(6) 0.94913(17) 0.42462(11) 0.0277(5) Uani 1 1 d . . . . .
H20 H 0.620479 0.949143 0.466927 0.033 Uiso 1 1 calc R . . . .
C21 C 0.58687(7) 0.82989(18) 0.28737(11) 0.0286(5) Uani 1 1 d . . . . .
C22 C 0.58235(6) 0.66172(17) 0.26830(10) 0.0262(5) Uani 1 1 d . . . . .
C23 C 0.59723(7) 0.56972(18) 0.29722(11) 0.0293(5) Uani 1 1 d . . . . .
H23A H 0.590627 0.517856 0.268406 0.035 Uiso 1 1 calc R . . . .
H23B H 0.622464 0.574844 0.300588 0.035 Uiso 1 1 calc R . . . .
C24 C 0.58764(7) 0.53995(17) 0.35889(11) 0.0288(5) Uani 1 1 d . . . . .
H24A H 0.562867 0.550377 0.360340 0.035 Uiso 1 1 calc R . . . .
H24B H 0.592292 0.471826 0.364931 0.035 Uiso 1 1 calc R . . . .
C25 C 0.54328(7) 0.6567(2) 0.25692(12) 0.0347(6) Uani 1 1 d . . . . .
H25A H 0.533797 0.650411 0.295742 0.052 Uiso 1 1 calc GR . . . .
H25B H 0.536563 0.602076 0.231265 0.052 Uiso 1 1 calc GR . . . .
H25C H 0.534494 0.714395 0.236457 0.052 Uiso 1 1 calc GR . . . .
C26 C 0.59764(8) 0.6703(2) 0.20764(11) 0.0359(6) Uani 1 1 d . . . . .
H26A H 0.587802 0.725330 0.185340 0.054 Uiso 1 1 calc GR . . . .
H26B H 0.592353 0.613311 0.183444 0.054 Uiso 1 1 calc GR . . . .
H26C H 0.622493 0.677821 0.215488 0.054 Uiso 1 1 calc GR . . . .
Pd3 Pd 0.71528(2) 0.67637(2) 0.66031(2) 0.01832(4) Uani 1 1 d . . . . .
Pd4 Pd 0.71566(2) 0.80603(2) 0.55154(2) 0.01797(4) Uani 1 1 d . . . . .
O5 O 0.67998(5) 0.44909(11) 0.74682(7) 0.0298(4) Uani 1 1 d . . . . .
O6 O 0.72400(4) 0.66679(10) 0.57351(7) 0.0219(3) Uani 1 1 d . . . . .
O7 O 0.68936(5) 1.04727(11) 0.45828(7) 0.0291(4) Uani 1 1 d . . . . .
O8 O 0.73019(4) 0.81040(10) 0.64094(7) 0.0227(3) Uani 1 1 d . . . . .
N7 N 0.69426(5) 0.60226(13) 0.76741(8) 0.0210(4) Uani 1 1 d . . . . .
N8 N 0.70514(5) 0.68677(13) 0.74645(8) 0.0220(4) Uani 1 1 d . . . . .
N9 N 0.70229(5) 0.54172(13) 0.67371(8) 0.0204(4) Uani 1 1 d . . . . .
N10 N 0.69689(5) 0.89151(13) 0.43907(8) 0.0212(4) Uani 1 1 d . . . . .
N11 N 0.70225(5) 0.80232(12) 0.46196(8) 0.0203(4) Uani 1 1 d . . . . .
N12 N 0.71048(5) 0.94530(12) 0.53642(8) 0.0201(4) Uani 1 1 d . . . . .
C27 C 0.67350(6) 0.54821(17) 0.86619(10) 0.0262(5) Uani 1 1 d . . . . .
H27 H 0.669271 0.484101 0.855475 0.031 Uiso 1 1 calc R . . . .
C28 C 0.66767(7) 0.58292(18) 0.92215(11) 0.0302(5) Uani 1 1 d . . . . .
H28 H 0.658880 0.541663 0.950374 0.036 Uiso 1 1 calc R . . . .
C29 C 0.67433(7) 0.67780(18) 0.93903(11) 0.0323(6) Uani 1 1 d . . . . .
H29 H 0.670188 0.698373 0.978317 0.039 Uiso 1 1 calc R . . . .
C30 C 0.68670(7) 0.74098(18) 0.89972(11) 0.0306(5) Uani 1 1 d . . . . .
H30 H 0.691306 0.804619 0.911208 0.037 Uiso 1 1 calc R . . . .
C31 C 0.69225(6) 0.70757(16) 0.84176(10) 0.0235(5) Uani 1 1 d . . . . .
C32 C 0.68598(6) 0.61238(16) 0.82584(10) 0.0215(4) Uani 1 1 d . . . . .
C33 C 0.70394(6) 0.74985(16) 0.78959(10) 0.0257(5) Uani 1 1 d . . . . .
H33 H 0.710000 0.814335 0.786423 0.031 Uiso 1 1 calc R . . . .
C34 C 0.69150(6) 0.52188(15) 0.72693(10) 0.0217(4) Uani 1 1 d . . . . .
C35 C 0.70055(6) 0.46584(15) 0.62660(10) 0.0218(4) Uani 1 1 d . . . . .
C36 C 0.72015(6) 0.49689(15) 0.57355(10) 0.0231(5) Uani 1 1 d . . . . .
H36A H 0.744601 0.502461 0.589426 0.028 Uiso 1 1 calc R . . . .
H36B H 0.718373 0.445209 0.543361 0.028 Uiso 1 1 calc R . . . .
C37 C 0.70990(6) 0.58786(15) 0.53982(10) 0.0229(5) Uani 1 1 d . . . . .
H37A H 0.718292 0.586902 0.499366 0.027 Uiso 1 1 calc R . . . .
H37B H 0.684663 0.593154 0.533883 0.027 Uiso 1 1 calc R . . . .
C38 C 0.71897(8) 0.37646(18) 0.65245(12) 0.0397(7) Uani 1 1 d . . . . .
H38A H 0.741938 0.393045 0.671128 0.060 Uiso 1 1 calc GR . . . .
H38B H 0.720729 0.331120 0.619598 0.060 Uiso 1 1 calc GR . . . .
H38C H 0.705963 0.348301 0.683076 0.060 Uiso 1 1 calc GR . . . .
C39 C 0.66299(7) 0.44445(19) 0.60395(11) 0.0317(6) Uani 1 1 d . . . . .
H39A H 0.651147 0.422671 0.637973 0.047 Uiso 1 1 calc GR . . . .
H39B H 0.661965 0.395279 0.572758 0.047 Uiso 1 1 calc GR . . . .
H39C H 0.651914 0.501760 0.586683 0.047 Uiso 1 1 calc GR . . . .
C40 C 0.68276(6) 0.95956(17) 0.33353(11) 0.0275(5) Uani 1 1 d . . . . .
H40 H 0.681885 1.024103 0.344664 0.033 Uiso 1 1 calc R . . . .
C41 C 0.67685(7) 0.93043(19) 0.27383(11) 0.0338(6) Uani 1 1 d . . . . .
H41 H 0.671730 0.976473 0.243044 0.041 Uiso 1 1 calc R . . . .
C42 C 0.67817(8) 0.83479(19) 0.25697(11) 0.0372(6) Uani 1 1 d . . . . .
H42 H 0.673963 0.818279 0.215285 0.045 Uiso 1 1 calc R . . . .
C43 C 0.68541(7) 0.76458(18) 0.29951(11) 0.0306(5) Uani 1 1 d . . . . .
H43 H 0.686295 0.700212 0.287992 0.037 Uiso 1 1 calc R . . . .
C44 C 0.69141(6) 0.79232(16) 0.36059(10) 0.0229(5) Uani 1 1 d . . . . .
C45 C 0.69013(6) 0.88790(16) 0.37679(10) 0.0214(4) Uani 1 1 d . . . . .
C46 C 0.69888(6) 0.74270(16) 0.41627(10) 0.0228(5) Uani 1 1 d . . . . .
H46 H 0.701117 0.676212 0.419907 0.027 Uiso 1 1 calc R . . . .
C47 C 0.69864(6) 0.97027(15) 0.48001(10) 0.0214(4) Uani 1 1 d . . . . .
C48 C 0.71125(6) 1.01787(16) 0.58537(10) 0.0242(5) Uani 1 1 d . . . . .
C49 C 0.73311(6) 0.98129(16) 0.64276(11) 0.0266(5) Uani 1 1 d . . . . .
H49A H 0.756582 0.971063 0.632001 0.032 Uiso 1 1 calc R . . . .
H49B H 0.734473 1.032465 0.673289 0.032 Uiso 1 1 calc R . . . .
C50 C 0.72240(7) 0.89219(16) 0.67354(11) 0.0278(5) Uani 1 1 d . . . . .
H50A H 0.734338 0.888990 0.715226 0.033 Uiso 1 1 calc R . . . .
H50B H 0.697500 0.894329 0.676542 0.033 Uiso 1 1 calc R . . . .
C51 C 0.67454(7) 1.0380(2) 0.59764(13) 0.0404(7) Uani 1 1 d . . . . .
H51A H 0.661594 1.063018 0.560777 0.061 Uiso 1 1 calc GR . . . .
H51B H 0.674618 1.084462 0.630385 0.061 Uiso 1 1 calc GR . . . .
H51C H 0.663848 0.979595 0.609639 0.061 Uiso 1 1 calc GR . . . .
C52 C 0.72914(8) 1.10873(17) 0.56755(12) 0.0388(7) Uani 1 1 d . . . . .
H52A H 0.751634 1.093023 0.555328 0.058 Uiso 1 1 calc GR . . . .
H52B H 0.731946 1.151728 0.602342 0.058 Uiso 1 1 calc GR . . . .
H52C H 0.715210 1.139214 0.533656 0.058 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.57954(3) 1.01481(9) 0.57967(8) 0.1067(5) Uani 1 1 d . . . . .
Cl2 Cl 0.59992(3) 1.21172(8) 0.56039(4) 0.0729(3) Uani 1 1 d . . . . .
C53 C 0.57028(10) 1.1347(3) 0.58931(16) 0.0615(10) Uani 1 1 d . . . . .
H53A H 0.569956 1.147587 0.633121 0.074 Uiso 1 1 calc R . . . .
H53B H 0.547154 1.148207 0.568755 0.074 Uiso 1 1 calc R . . . .
Cl7 Cl 0.52934(3) 0.67039(8) 0.79621(4) 0.0655(2) Uani 1 1 d . . . . .
C56 C 0.500000 0.6007(3) 0.750000 0.0432(10) Uani 1 2 d S T P . .
H56A H 0.487400 0.559613 0.775965 0.052 Uiso 0.5 1 calc R . . . .
H56B H 0.512601 0.559616 0.724035 0.052 Uiso 0.5 1 calc R . . . .
Cl5 Cl 0.47975(9) 0.9635(2) 0.55405(15) 0.1227(12) Uani 0.522(3) 1 d . . . A 1
Cl6 Cl 0.49320(9) 1.0694(3) 0.66405(15) 0.1115(12) Uani 0.522(3) 1 d . . . A 1
C55 C 0.4897(2) 0.9565(6) 0.6321(5) 0.078(2) Uani 0.522(3) 1 d . . . A 1
H55A H 0.511624 0.922344 0.641560 0.093 Uiso 0.522(3) 1 calc R . . A 1
H55B H 0.471688 0.920678 0.649887 0.093 Uiso 0.522(3) 1 calc R . . A 1
Cl3 Cl 0.48303(7) 1.0397(3) 0.60523(14) 0.1054(12) Uani 0.478(3) 1 d . . . A 2
Cl4 Cl 0.50277(7) 0.90415(17) 0.69943(14) 0.0894(9) Uani 0.478(3) 1 d . . . A 2
C54 C 0.4964(3) 1.0143(7) 0.6888(7) 0.108(5) Uani 0.478(3) 1 d . . . A 2
H54A H 0.517538 1.049497 0.702550 0.130 Uiso 0.478(3) 1 calc R . . A 2
H54B H 0.478207 1.035895 0.713139 0.130 Uiso 0.478(3) 1 calc R . . 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 Pd2 2.9530(3) . ?
Pd1 O2 1.9981(17) . ?
Pd1 O4 2.0502(16) . ?
Pd1 N1 1.995(2) . ?
Pd1 N3 2.0080(19) . ?
Pd2 O2 2.0545(16) . ?
Pd2 O4 2.0037(16) . ?
Pd2 N5 1.995(2) . ?
Pd2 N6 2.0066(19) . ?
O1 C8 1.233(3) . ?
O2 C11 1.426(3) . ?
O3 C21 1.234(3) . ?
O4 C24 1.432(3) . ?
N1 N2 1.371(3) . ?
N1 C7 1.317(3) . ?
N2 C5 1.374(3) . ?
N2 C8 1.446(3) . ?
N3 C8 1.330(3) . ?
N3 C9 1.494(3) . ?
N4 N5 1.368(3) . ?
N4 C19 1.376(3) . ?
N4 C21 1.449(3) . ?
N5 C20 1.318(3) . ?
N6 C21 1.329(3) . ?
N6 C22 1.494(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.371(4) . ?
C1 C6 1.408(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.409(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.406(4) . ?
C5 C6 1.407(4) . ?
C6 C7 1.418(4) . ?
C7 H7 0.9500 . ?
C9 C10 1.540(3) . ?
C9 C12 1.539(3) . ?
C9 C13 1.547(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.525(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.376(4) . ?
C14 C19 1.405(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.406(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.376(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.405(4) . ?
C18 C19 1.407(3) . ?
C18 C20 1.422(3) . ?
C20 H20 0.9500 . ?
C22 C23 1.541(3) . ?
C22 C25 1.531(3) . ?
C22 C26 1.538(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.519(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
Pd3 Pd4 3.0347(3) . ?
Pd3 O6 1.9971(15) . ?
Pd3 O8 2.0495(15) . ?
Pd3 N8 1.9998(19) . ?
Pd3 N9 2.0082(18) . ?
Pd4 O6 2.0522(15) . ?
Pd4 O8 2.0020(16) . ?
Pd4 N11 1.9983(19) . ?
Pd4 N12 2.0106(18) . ?
O5 C34 1.229(3) . ?
O6 C37 1.424(3) . ?
O7 C47 1.233(3) . ?
O8 C50 1.419(3) . ?
N7 N8 1.372(2) . ?
N7 C32 1.378(3) . ?
N7 C34 1.448(3) . ?
N8 C33 1.315(3) . ?
N9 C34 1.328(3) . ?
N9 C35 1.496(3) . ?
N10 N11 1.371(2) . ?
N10 C45 1.378(3) . ?
N10 C47 1.436(3) . ?
N11 C46 1.315(3) . ?
N12 C47 1.333(3) . ?
N12 C48 1.494(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(3) . ?
C27 C32 1.403(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.414(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.376(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.410(3) . ?
C31 C32 1.411(3) . ?
C31 C33 1.424(3) . ?
C33 H33 0.9500 . ?
C35 C36 1.541(3) . ?
C35 C38 1.539(3) . ?
C35 C39 1.537(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.523(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40 0.9500 . ?
C40 C41 1.381(3) . ?
C40 C45 1.406(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.410(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.379(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.405(3) . ?
C44 C45 1.405(3) . ?
C44 C46 1.423(3) . ?
C46 H46 0.9500 . ?
C48 C49 1.544(3) . ?
C48 C51 1.526(4) . ?
C48 C52 1.541(3) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.518(3) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
Cl1 C53 1.758(4) . ?
Cl2 C53 1.770(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
Cl7 C56 1.760(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
Cl5 C55 1.734(10) . ?
Cl6 C55 1.751(9) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
Cl3 C54 1.904(14) . ?
Cl4 Cl4 2.277(6) 2_656 ?
Cl4 C54 1.596(10) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?

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 Pd2 43.98(5) . . ?
O2 Pd1 O4 76.66(6) . . ?
O2 Pd1 N3 98.99(7) . . ?
O4 Pd1 Pd2 42.63(5) . . ?
N1 Pd1 Pd2 134.73(6) . . ?
N1 Pd1 O2 178.06(8) . . ?
N1 Pd1 O4 103.04(7) . . ?
N1 Pd1 N3 81.30(8) . . ?
N3 Pd1 Pd2 133.62(6) . . ?
N3 Pd1 O4 175.65(7) . . ?
O2 Pd2 Pd1 42.48(5) . . ?
O4 Pd2 Pd1 43.87(4) . . ?
O4 Pd2 O2 76.44(6) . . ?
O4 Pd2 N6 99.10(7) . . ?
N5 Pd2 Pd1 135.01(5) . . ?
N5 Pd2 O2 103.16(7) . . ?
N5 Pd2 O4 178.50(7) . . ?
N5 Pd2 N6 81.32(8) . . ?
N6 Pd2 Pd1 134.06(6) . . ?
N6 Pd2 O2 175.50(7) . . ?
Pd1 O2 Pd2 93.54(7) . . ?
C11 O2 Pd1 116.83(13) . . ?
C11 O2 Pd2 124.46(14) . . ?
Pd2 O4 Pd1 93.50(6) . . ?
C24 O4 Pd1 122.99(14) . . ?
C24 O4 Pd2 117.38(14) . . ?
N2 N1 Pd1 111.10(15) . . ?
C7 N1 Pd1 140.67(18) . . ?
C7 N1 N2 108.1(2) . . ?
N1 N2 C5 109.7(2) . . ?
N1 N2 C8 118.9(2) . . ?
C5 N2 C8 131.3(2) . . ?
C8 N3 Pd1 115.98(16) . . ?
C8 N3 C9 118.65(19) . . ?
C9 N3 Pd1 125.02(15) . . ?
N5 N4 C19 110.01(19) . . ?
N5 N4 C21 118.87(19) . . ?
C19 N4 C21 131.0(2) . . ?
N4 N5 Pd2 111.31(14) . . ?
C20 N5 Pd2 140.55(17) . . ?
C20 N5 N4 108.14(19) . . ?
C21 N6 Pd2 116.28(16) . . ?
C21 N6 C22 118.40(19) . . ?
C22 N6 Pd2 124.61(15) . . ?
C2 C1 H1 121.0 . . ?
C2 C1 C6 117.9(3) . . ?
C6 C1 H1 121.0 . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.2(3) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.3(3) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 H4 121.7 . . ?
C3 C4 C5 116.7(3) . . ?
C5 C4 H4 121.7 . . ?
N2 C5 C4 131.6(2) . . ?
N2 C5 C6 106.8(2) . . ?
C4 C5 C6 121.6(2) . . ?
C1 C6 C7 134.5(3) . . ?
C5 C6 C1 120.3(2) . . ?
C5 C6 C7 105.2(2) . . ?
N1 C7 C6 110.2(2) . . ?
N1 C7 H7 124.9 . . ?
C6 C7 H7 124.9 . . ?
O1 C8 N2 116.5(2) . . ?
O1 C8 N3 131.4(2) . . ?
N3 C8 N2 112.0(2) . . ?
N3 C9 C10 109.66(18) . . ?
N3 C9 C12 109.92(19) . . ?
N3 C9 C13 110.25(19) . . ?
C10 C9 C13 106.45(19) . . ?
C12 C9 C10 110.1(2) . . ?
C12 C9 C13 110.41(19) . . ?
C9 C10 H10A 107.7 . . ?
C9 C10 H10B 107.7 . . ?
H10A C10 H10B 107.1 . . ?
C11 C10 C9 118.4(2) . . ?
C11 C10 H10A 107.7 . . ?
C11 C10 H10B 107.7 . . ?
O2 C11 C10 110.4(2) . . ?
O2 C11 H11A 109.6 . . ?
O2 C11 H11B 109.6 . . ?
C10 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 H14 122.0 . . ?
C15 C14 C19 116.1(3) . . ?
C19 C14 H14 122.0 . . ?
C14 C15 H15 118.5 . . ?
C14 C15 C16 122.9(3) . . ?
C16 C15 H15 118.5 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 120.9(3) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 121.2 . . ?
C16 C17 C18 117.7(3) . . ?
C18 C17 H17 121.2 . . ?
C17 C18 C19 120.5(2) . . ?
C17 C18 C20 134.1(2) . . ?
C19 C18 C20 105.3(2) . . ?
N4 C19 C14 131.6(2) . . ?
N4 C19 C18 106.5(2) . . ?
C14 C19 C18 121.8(2) . . ?
N5 C20 C18 110.0(2) . . ?
N5 C20 H20 125.0 . . ?
C18 C20 H20 125.0 . . ?
O3 C21 N4 116.0(2) . . ?
O3 C21 N6 132.1(2) . . ?
N6 C21 N4 111.8(2) . . ?
N6 C22 C23 109.94(19) . . ?
N6 C22 C25 109.3(2) . . ?
N6 C22 C26 111.3(2) . . ?
C25 C22 C23 110.9(2) . . ?
C25 C22 C26 110.1(2) . . ?
C26 C22 C23 105.3(2) . . ?
C22 C23 H23A 107.5 . . ?
C22 C23 H23B 107.5 . . ?
H23A C23 H23B 107.0 . . ?
C24 C23 C22 119.3(2) . . ?
C24 C23 H23A 107.5 . . ?
C24 C23 H23B 107.5 . . ?
O4 C24 C23 111.1(2) . . ?
O4 C24 H24A 109.4 . . ?
O4 C24 H24B 109.4 . . ?
C23 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O6 Pd3 Pd4 42.15(4) . . ?
O6 Pd3 O8 77.12(6) . . ?
O6 Pd3 N8 178.35(7) . . ?
O6 Pd3 N9 98.73(7) . . ?
O8 Pd3 Pd4 40.90(4) . . ?
N8 Pd3 Pd4 137.19(5) . . ?
N8 Pd3 O8 102.95(7) . . ?
N8 Pd3 N9 81.24(7) . . ?
N9 Pd3 Pd4 135.90(5) . . ?
N9 Pd3 O8 175.64(7) . . ?
O6 Pd4 Pd3 40.77(4) . . ?
O8 Pd4 Pd3 42.09(4) . . ?
O8 Pd4 O6 76.95(6) . . ?
O8 Pd4 N12 98.47(7) . . ?
N11 Pd4 Pd3 138.58(5) . . ?
N11 Pd4 O6 103.18(7) . . ?
N11 Pd4 O8 178.69(7) . . ?
N11 Pd4 N12 81.35(7) . . ?
N12 Pd4 Pd3 135.96(5) . . ?
N12 Pd4 O6 174.91(7) . . ?
Pd3 O6 Pd4 97.07(6) . . ?
C37 O6 Pd3 117.42(13) . . ?
C37 O6 Pd4 126.15(13) . . ?
Pd4 O8 Pd3 97.01(6) . . ?
C50 O8 Pd3 124.67(14) . . ?
C50 O8 Pd4 118.41(14) . . ?
N8 N7 C32 110.07(17) . . ?
N8 N7 C34 118.88(17) . . ?
C32 N7 C34 130.96(19) . . ?
N7 N8 Pd3 111.24(13) . . ?
C33 N8 Pd3 140.58(16) . . ?
C33 N8 N7 108.08(18) . . ?
C34 N9 Pd3 116.42(15) . . ?
C34 N9 C35 118.27(18) . . ?
C35 N9 Pd3 125.00(14) . . ?
N11 N10 C45 109.96(17) . . ?
N11 N10 C47 119.31(17) . . ?
C45 N10 C47 130.73(19) . . ?
N10 N11 Pd4 110.87(13) . . ?
C46 N11 Pd4 140.85(16) . . ?
C46 N11 N10 108.08(18) . . ?
C47 N12 Pd4 115.85(14) . . ?
C47 N12 C48 118.38(18) . . ?
C48 N12 Pd4 124.23(14) . . ?
C28 C27 H27 121.7 . . ?
C28 C27 C32 116.6(2) . . ?
C32 C27 H27 121.7 . . ?
C27 C28 H28 118.9 . . ?
C27 C28 C29 122.3(2) . . ?
C29 C28 H28 118.9 . . ?
C28 C29 H29 119.3 . . ?
C30 C29 C28 121.4(2) . . ?
C30 C29 H29 119.3 . . ?
C29 C30 H30 121.3 . . ?
C29 C30 C31 117.4(2) . . ?
C31 C30 H30 121.3 . . ?
C30 C31 C32 120.6(2) . . ?
C30 C31 C33 134.1(2) . . ?
C32 C31 C33 105.3(2) . . ?
N7 C32 C27 131.9(2) . . ?
N7 C32 C31 106.36(19) . . ?
C27 C32 C31 121.7(2) . . ?
N8 C33 C31 110.2(2) . . ?
N8 C33 H33 124.9 . . ?
C31 C33 H33 124.9 . . ?
O5 C34 N7 116.38(19) . . ?
O5 C34 N9 131.6(2) . . ?
N9 C34 N7 112.00(19) . . ?
N9 C35 C36 109.84(18) . . ?
N9 C35 C38 110.48(19) . . ?
N9 C35 C39 109.71(18) . . ?
C38 C35 C36 105.36(19) . . ?
C39 C35 C36 110.61(19) . . ?
C39 C35 C38 110.8(2) . . ?
C35 C36 H36A 107.5 . . ?
C35 C36 H36B 107.5 . . ?
H36A C36 H36B 107.0 . . ?
C37 C36 C35 119.29(19) . . ?
C37 C36 H36A 107.5 . . ?
C37 C36 H36B 107.5 . . ?
O6 C37 C36 110.02(18) . . ?
O6 C37 H37A 109.7 . . ?
O6 C37 H37B 109.7 . . ?
C36 C37 H37A 109.7 . . ?
C36 C37 H37B 109.7 . . ?
H37A C37 H37B 108.2 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C39 H39A 109.5 . . ?
C35 C39 H39B 109.5 . . ?
C35 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 H40 122.0 . . ?
C41 C40 C45 115.9(2) . . ?
C45 C40 H40 122.0 . . ?
C40 C41 H41 118.8 . . ?
C40 C41 C42 122.3(2) . . ?
C42 C41 H41 118.8 . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.6(2) . . ?
C43 C42 H42 119.2 . . ?
C42 C43 H43 121.4 . . ?
C42 C43 C44 117.2(2) . . ?
C44 C43 H43 121.4 . . ?
C43 C44 C45 120.6(2) . . ?
C43 C44 C46 134.0(2) . . ?
C45 C44 C46 105.4(2) . . ?
N10 C45 C40 131.2(2) . . ?
N10 C45 C44 106.48(19) . . ?
C44 C45 C40 122.3(2) . . ?
N11 C46 C44 110.1(2) . . ?
N11 C46 H46 125.0 . . ?
C44 C46 H46 125.0 . . ?
O7 C47 N10 116.82(19) . . ?
O7 C47 N12 131.3(2) . . ?
N12 C47 N10 111.92(18) . . ?
N12 C48 C49 109.36(18) . . ?
N12 C48 C51 108.41(19) . . ?
N12 C48 C52 111.27(19) . . ?
C51 C48 C49 111.6(2) . . ?
C51 C48 C52 110.9(2) . . ?
C52 C48 C49 105.30(19) . . ?
C48 C49 H49A 107.4 . . ?
C48 C49 H49B 107.4 . . ?
H49A C49 H49B 107.0 . . ?
C50 C49 C48 119.5(2) . . ?
C50 C49 H49A 107.4 . . ?
C50 C49 H49B 107.4 . . ?
O8 C50 C49 111.42(19) . . ?
O8 C50 H50A 109.3 . . ?
O8 C50 H50B 109.3 . . ?
C49 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
H50A C50 H50B 108.0 . . ?
C48 C51 H51A 109.5 . . ?
C48 C51 H51B 109.5 . . ?
C48 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C52 H52A 109.5 . . ?
C48 C52 H52B 109.5 . . ?
C48 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Cl1 C53 Cl2 113.5(2) . . ?
Cl1 C53 H53A 108.9 . . ?
Cl1 C53 H53B 108.9 . . ?
Cl2 C53 H53A 108.9 . . ?
Cl2 C53 H53B 108.9 . . ?
H53A C53 H53B 107.7 . . ?
Cl7 C56 Cl7 111.6(2) . 2_656 ?
Cl7 C56 H56A 109.3 . . ?
Cl7 C56 H56A 109.3 2_656 . ?
Cl7 C56 H56B 109.3 . . ?
Cl7 C56 H56B 109.3 2_656 . ?
H56A C56 H56B 108.0 . . ?
Cl5 C55 Cl6 110.5(5) . . ?
Cl5 C55 H55A 109.6 . . ?
Cl5 C55 H55B 109.6 . . ?
Cl6 C55 H55A 109.6 . . ?
Cl6 C55 H55B 109.6 . . ?
H55A C55 H55B 108.1 . . ?
C54 Cl4 Cl4 96.5(6) . 2_656 ?
Cl3 C54 H54A 109.5 . . ?
Cl3 C54 H54B 109.5 . . ?
Cl4 C54 Cl3 110.5(8) . . ?
Cl4 C54 H54A 109.5 . . ?
Cl4 C54 H54B 109.5 . . ?
H54A C54 H54B 108.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
