# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_pinene@MMF
_database_code_depnum_ccdc_archive 'CCDC 1974239'
loop_
_audit_author_name
_audit_author_address
'Shohei Tashiro'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C94 H100 Cl12 N12 O3 Pd6'
_chemical_formula_moiety         '2(C42 H42 Cl6 N6 Pd3), 1(C10 H16), 3(O)'
_chemical_formula_weight         2509.74
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
_space_group_IT_number           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.2257(3)
_cell_length_b                   50.2552(9)
_cell_length_c                   19.5481(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.9145(7)
_cell_angle_gamma                90.0000
_cell_volume                     13967.4(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    79688
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.51
_cell_measurement_temperature    103
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5008.00
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_T_max  0.940

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      103
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            138545
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.993
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -65
_diffrn_reflns_limit_k_max       65
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             63049
_reflns_number_gt                34448
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_max     0.971
_reflns_Friedel_fraction_full    0.991

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1503
_refine_ls_R_factor_gt           0.0870
_refine_ls_wR_factor_ref         0.2749
_refine_ls_wR_factor_gt          0.2320
_refine_ls_number_restraints     124
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         63049
_refine_ls_number_parameters     2153
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1534P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.79
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 11297 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.021(13)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.76646(7) 0.67862(3) 0.61060(6) 0.0556(3) Uani 1 1 d . . . . .
Pd2 Pd 0.58866(8) 0.68013(3) 1.06053(6) 0.0637(4) Uani 1 1 d . . . . .
Pd3 Pd 0.15916(7) 0.71268(3) 0.74505(6) 0.0601(3) Uani 1 1 d . . . . .
Cl1 Cl 0.7461(2) 0.72444(9) 0.6115(2) 0.0621(10) Uani 1 1 d . . . . .
Cl2 Cl 0.9273(2) 0.68129(10) 0.5991(2) 0.0618(10) Uani 1 1 d . . . . .
Cl3 Cl 0.6424(3) 0.72074(11) 1.0249(2) 0.0742(13) Uani 1 1 d . . . . .
Cl4 Cl 0.5125(3) 0.69905(11) 1.1510(2) 0.0699(12) Uani 1 1 d . . . . .
Cl5 Cl 0.2016(3) 0.74512(11) 0.8237(2) 0.0752(13) Uani 1 1 d . . . . .
Cl6 Cl 0.1284(3) 0.74322(11) 0.6599(3) 0.0754(13) Uani 1 1 d . . . . .
N1 N 0.6258(8) 0.6726(3) 0.6049(7) 0.057(3) Uani 1 1 d . . . . .
H1N H 0.599570 0.684158 0.567239 0.068 Uiso 1 1 calc R U . . .
N2 N 0.7764(8) 0.6380(3) 0.6187(6) 0.054(3) Uani 1 1 d . . . . .
H2N H 0.821878 0.632350 0.583583 0.065 Uiso 1 1 calc R U . . .
N3 N 0.6578(8) 0.6610(3) 0.9836(7) 0.068(4) Uani 1 1 d . . . . .
H3N H 0.723976 0.667706 0.983386 0.082 Uiso 1 1 calc R U . . .
N4 N 0.5469(9) 0.6420(3) 1.0853(7) 0.069(4) Uani 1 1 d . . . . .
H4N H 0.566909 0.639222 1.134297 0.083 Uiso 1 1 calc R U . . .
N5 N 0.1904(9) 0.6830(3) 0.8149(7) 0.066(4) Uani 1 1 d . . . . .
H5N H 0.164382 0.688103 0.859966 0.079 Uiso 1 1 calc R U . . .
N6 N 0.1196(7) 0.6819(3) 0.6840(6) 0.054(3) Uani 1 1 d . . . . .
H6N H 0.052975 0.685872 0.669366 0.065 Uiso 1 1 calc R U . . .
C1 C 0.6106(10) 0.6461(5) 0.5849(8) 0.081(7) Uani 1 1 d . . . . .
C2 C 0.5263(10) 0.6361(4) 0.5532(9) 0.062(4) Uani 1 1 d . . . . .
H2 H 0.475272 0.647890 0.543850 0.074 Uiso 1 1 calc R U . . .
C3 C 0.5176(13) 0.6099(5) 0.5360(10) 0.082(6) Uani 1 1 d . . . . .
H3 H 0.461702 0.603733 0.513219 0.099 Uiso 1 1 calc R U . . .
C4 C 0.5880(13) 0.5927(5) 0.5513(10) 0.075(5) Uani 1 1 d . . . . .
H4 H 0.577066 0.574471 0.541030 0.090 Uiso 1 1 calc R U . . .
C5 C 0.6742(12) 0.5992(4) 0.5804(9) 0.068(5) Uani 1 1 d . . . . .
H5 H 0.722840 0.586587 0.588906 0.082 Uiso 1 1 calc R U . . .
C6 C 0.6834(10) 0.6264(4) 0.5963(9) 0.064(5) Uani 1 1 d . . . . .
C7 C 0.8141(11) 0.6275(4) 0.6850(9) 0.065(5) Uani 1 1 d . . . . .
H7A H 0.810383 0.607798 0.684504 0.078 Uiso 1 1 calc R U . . .
H7B H 0.881089 0.632531 0.690996 0.078 Uiso 1 1 calc R U . . .
C8 C 0.7620(10) 0.6377(4) 0.7424(8) 0.058(4) Uani 1 1 d . . . . .
C9 C 0.7913(10) 0.6604(4) 0.7779(9) 0.064(5) Uani 1 1 d . . . . .
H9 H 0.846137 0.669349 0.763594 0.076 Uiso 1 1 calc R U . . .
C10 C 0.6828(11) 0.6246(4) 0.7653(10) 0.071(5) Uani 1 1 d . . . . .
H10 H 0.662907 0.608820 0.742192 0.085 Uiso 1 1 calc R U . . .
C11 C 0.7438(11) 0.6706(4) 0.8335(9) 0.071(5) Uani 1 1 d . . . . .
H11 H 0.766234 0.686231 0.856176 0.085 Uiso 1 1 calc R U . . .
C12 C 0.6308(12) 0.6334(4) 0.8205(9) 0.072(5) Uani 1 1 d . . . . .
H12 H 0.577034 0.623942 0.834788 0.087 Uiso 1 1 calc R U . . .
C13 C 0.6628(11) 0.6577(4) 0.8555(9) 0.062(4) Uani 1 1 d . . . . .
C14 C 0.6085(11) 0.6685(4) 0.9149(7) 0.061(4) Uani 1 1 d . . . . .
H14A H 0.543992 0.661026 0.913073 0.073 Uiso 1 1 calc R U . . .
H14B H 0.603637 0.688059 0.911260 0.073 Uiso 1 1 calc R U . . .
C15 C 0.6601(10) 0.6334(4) 1.0003(9) 0.056(4) Uani 1 1 d . . . . .
C16 C 0.7280(13) 0.6162(4) 0.9660(10) 0.073(5) Uani 1 1 d . . . . .
H16 H 0.773051 0.623191 0.936053 0.087 Uiso 1 1 calc R U . . .
C17 C 0.7222(15) 0.5897(5) 0.9798(11) 0.086(6) Uani 1 1 d . . . . .
H17 H 0.764328 0.578022 0.957969 0.104 Uiso 1 1 calc R U . . .
C18 C 0.6586(15) 0.5788(6) 1.0237(10) 0.090(6) Uani 1 1 d . . . . .
H18 H 0.654604 0.560081 1.030682 0.108 Uiso 1 1 calc R U . . .
C19 C 0.6014(13) 0.5962(4) 1.0569(9) 0.071(5) Uani 1 1 d . . . . .
H19 H 0.558676 0.589371 1.088826 0.085 Uiso 1 1 calc R U . . .
C20 C 0.6036(10) 0.6239(4) 1.0454(8) 0.064(5) Uani 1 1 d . . . . .
C21 C 0.4440(12) 0.6370(5) 1.0810(9) 0.073(5) Uani 1 1 d . . . . .
H21A H 0.414022 0.645466 1.120527 0.088 Uiso 1 1 calc R U . . .
H21B H 0.432102 0.617639 1.083149 0.088 Uiso 1 1 calc R U . . .
C22 C 0.4016(11) 0.6480(5) 1.0157(9) 0.067(5) Uani 1 1 d . . . . .
C23 C 0.3724(10) 0.6736(4) 1.0100(9) 0.060(4) Uani 1 1 d . . . . .
H23 H 0.377331 0.684630 1.049443 0.072 Uiso 1 1 calc R U . . .
C24 C 0.3913(12) 0.6327(5) 0.9578(13) 0.088(7) Uani 1 1 d . . . . .
H24 H 0.411063 0.614613 0.959432 0.105 Uiso 1 1 calc R U . . .
C25 C 0.3355(10) 0.6848(4) 0.9495(8) 0.061(4) Uani 1 1 d . . . . .
H25 H 0.315908 0.702848 0.948145 0.073 Uiso 1 1 calc R U . . .
C26 C 0.3536(11) 0.6425(4) 0.8982(10) 0.066(5) Uani 1 1 d . . . . .
H26 H 0.344459 0.631097 0.859878 0.080 Uiso 1 1 calc R U . . .
C27 C 0.3281(10) 0.6693(4) 0.8926(10) 0.070(5) Uani 1 1 d . . . . .
C28 C 0.2949(11) 0.6811(4) 0.8229(10) 0.074(5) Uani 1 1 d . . . . .
H28A H 0.322176 0.699142 0.818180 0.089 Uiso 1 1 calc R U . . .
H28B H 0.318863 0.669923 0.785742 0.089 Uiso 1 1 calc R U . . .
C29 C 0.1421(8) 0.6576(3) 0.7899(7) 0.050(4) Uani 1 1 d . . . . .
C30 C 0.1340(12) 0.6371(5) 0.8354(11) 0.080(6) Uani 1 1 d . . . . .
H30 H 0.152914 0.638922 0.882218 0.096 Uiso 1 1 calc R U . . .
C31 C 0.0952(13) 0.6128(5) 0.8085(11) 0.082(6) Uani 1 1 d . . . . .
H31 H 0.087846 0.597724 0.837067 0.098 Uiso 1 1 calc R U . . .
C32 C 0.0684(11) 0.6119(4) 0.7385(10) 0.063(4) Uani 1 1 d . . . . .
H32 H 0.043806 0.595858 0.719221 0.075 Uiso 1 1 calc R U . . .
C33 C 0.0774(11) 0.6337(4) 0.6984(10) 0.064(5) Uani 1 1 d . . . . .
H33 H 0.057257 0.632537 0.651686 0.077 Uiso 1 1 calc R U . . .
C34 C 0.1151(10) 0.6579(4) 0.7228(9) 0.069(5) Uani 1 1 d . . . . .
C35 C 0.1719(9) 0.6789(3) 0.6174(7) 0.047(3) Uani 1 1 d . . . . .
H35A H 0.153130 0.661964 0.594717 0.057 Uiso 1 1 calc R U . . .
H35B H 0.154933 0.693685 0.585965 0.057 Uiso 1 1 calc R U . . .
C36 C 0.2756(10) 0.6789(4) 0.6321(8) 0.061(4) Uani 1 1 d . . . . .
C37 C 0.3296(11) 0.7008(4) 0.6187(7) 0.060(4) Uani 1 1 d . . . . .
H37 H 0.301407 0.716643 0.600938 0.072 Uiso 1 1 calc R U . . .
C38 C 0.3248(11) 0.6553(4) 0.6574(9) 0.063(4) Uani 1 1 d . . . . .
H38 H 0.292296 0.638904 0.662292 0.076 Uiso 1 1 calc R U . . .
C39 C 0.4248(10) 0.6996(4) 0.6314(8) 0.064(5) Uani 1 1 d . . . . .
H39 H 0.461583 0.714326 0.618021 0.077 Uiso 1 1 calc R U . . .
C40 C 0.4178(9) 0.6571(4) 0.6738(9) 0.065(5) Uani 1 1 d . . . . .
H40 H 0.448100 0.642312 0.695163 0.078 Uiso 1 1 calc R U . . .
C41 C 0.4697(9) 0.6791(4) 0.6613(8) 0.055(4) Uani 1 1 d . . . . .
C42 C 0.5758(9) 0.6799(4) 0.6694(7) 0.062(5) Uani 1 1 d . . . . .
H42A H 0.595981 0.667498 0.706396 0.075 Uiso 1 1 calc R U . . .
H42B H 0.595290 0.698054 0.683606 0.075 Uiso 1 1 calc R U . . .
Pd4 Pd 0.47671(8) 0.77181(3) 0.60242(7) 0.0628(4) Uani 1 1 d . . . . .
Pd5 Pd 1.01847(12) 0.85350(4) 0.84197(11) 0.0943(6) Uani 1 1 d . . . . .
Pd6 Pd 0.55862(13) 0.94846(4) 0.72315(13) 0.1033(6) Uani 1 1 d . . . . .
Cl7 Cl 0.3360(3) 0.77107(11) 0.5415(3) 0.0747(12) Uani 1 1 d . . . . .
Cl8 Cl 0.5637(3) 0.78050(10) 0.5080(2) 0.0698(12) Uani 1 1 d . . . . .
Cl9 Cl 1.0851(6) 0.83722(16) 0.9424(4) 0.124(2) Uiso 1 1 d . . . . .
Cl10 Cl 0.9790(5) 0.89286(14) 0.8916(4) 0.1064(18) Uani 1 1 d . . . . .
Cl11 Cl 0.6474(4) 0.98683(13) 0.7234(5) 0.122(3) Uani 1 1 d . . . . .
Cl12 Cl 0.5460(8) 0.94817(17) 0.6061(5) 0.151(3) Uani 1 1 d . . . . .
N7 N 0.4117(9) 0.7655(3) 0.6917(8) 0.065(4) Uani 1 1 d . . . . .
H7N H 0.367640 0.750163 0.683884 0.078 Uiso 1 1 calc R U . . .
N8 N 0.5975(8) 0.7707(3) 0.6617(7) 0.061(3) Uani 1 1 d . . . . .
H8N H 0.644099 0.759215 0.638628 0.073 Uiso 1 1 calc R U . . .
N9 N 1.0593(10) 0.8201(4) 0.7934(11) 0.089(6) Uani 1 1 d . . . . .
H9N H 1.124583 0.816936 0.812167 0.107 Uiso 1 1 calc R U . . .
N10 N 0.9699(11) 0.8660(3) 0.7464(12) 0.093(6) Uani 1 1 d . . . . .
H10N H 0.990754 0.884819 0.739765 0.111 Uiso 1 1 calc R U . . .
N11 N 0.5523(13) 0.9478(4) 0.8272(12) 0.101(6) Uani 1 1 d . . . . .
H11N H 0.526725 0.965472 0.840805 0.121 Uiso 1 1 calc R U . . .
N12 N 0.4835(13) 0.9140(4) 0.7295(11) 0.101(6) Uani 1 1 d . . . . .
H12N H 0.428988 0.914901 0.695968 0.121 Uiso 1 1 calc R U . . .
C43 C 0.4831(9) 0.7569(4) 0.7443(9) 0.061(4) Uani 1 1 d . . . . .
C44 C 0.4601(11) 0.7468(4) 0.8059(10) 0.071(5) Uani 1 1 d . . . . .
H44 H 0.395959 0.746590 0.818007 0.086 Uiso 1 1 calc R U . . .
C45 C 0.5269(11) 0.7370(4) 0.8509(10) 0.068(5) Uani 1 1 d . . . . .
H45 H 0.509694 0.729367 0.893203 0.082 Uiso 1 1 calc R U . . .
C46 C 0.6210(13) 0.7383(4) 0.8333(9) 0.070(5) Uani 1 1 d . . . . .
H46 H 0.668818 0.732267 0.864518 0.084 Uiso 1 1 calc R U . . .
C47 C 0.6440(10) 0.7482(4) 0.7727(10) 0.064(5) Uani 1 1 d . . . . .
H47 H 0.707804 0.748337 0.759772 0.077 Uiso 1 1 calc R U . . .
C48 C 0.5742(10) 0.7581(4) 0.7287(9) 0.060(4) Uani 1 1 d . . . . .
C49 C 0.6377(11) 0.7974(4) 0.6699(11) 0.072(5) Uani 1 1 d . . . . .
H49A H 0.593328 0.808353 0.695792 0.087 Uiso 1 1 calc R U . . .
H49B H 0.642281 0.805424 0.623943 0.087 Uiso 1 1 calc R U . . .
C50 C 0.7342(11) 0.7991(4) 0.7060(9) 0.059(4) Uani 1 1 d . . . . .
C51 C 0.8099(11) 0.7914(4) 0.6681(11) 0.073(5) Uani 1 1 d . . . . .
H51 H 0.801431 0.787050 0.620956 0.088 Uiso 1 1 calc R U . . .
C52 C 0.7456(12) 0.8041(4) 0.7755(11) 0.073(5) Uani 1 1 d . . . . .
H52 H 0.692858 0.808312 0.801974 0.088 Uiso 1 1 calc R U . . .
C53 C 0.9021(12) 0.7901(4) 0.7013(12) 0.079(6) Uani 1 1 d . . . . .
H53 H 0.954961 0.784742 0.676185 0.094 Uiso 1 1 calc R U . . .
C54 C 0.8351(14) 0.8028(4) 0.8058(10) 0.075(5) Uani 1 1 d . . . . .
H54 H 0.843320 0.806277 0.853326 0.091 Uiso 1 1 calc R U . . .
C55 C 0.9128(11) 0.7964(3) 0.7678(12) 0.068(5) Uani 1 1 d . . . . .
C56 C 1.0129(16) 0.7945(5) 0.8007(14) 0.098(7) Uani 1 1 d . . . . .
H56A H 1.009356 0.789771 0.849701 0.118 Uiso 1 1 calc R U . . .
H56B H 1.049046 0.780427 0.777618 0.118 Uiso 1 1 calc R U . . .
C57 C 1.0724(12) 0.8264(4) 0.7228(14) 0.086(4) Uani 1 1 d . U . . .
C58 C 1.1304(13) 0.8124(5) 0.6753(16) 0.096(5) Uani 1 1 d . U . . .
H58 H 1.162579 0.796762 0.690057 0.116 Uiso 1 1 calc R U . . .
C59 C 1.1394(13) 0.8203(5) 0.6154(16) 0.097(5) Uani 1 1 d . U . . .
H59 H 1.177587 0.810094 0.586331 0.117 Uiso 1 1 calc R U . . .
C60 C 1.0970(15) 0.8433(5) 0.5883(16) 0.103(5) Uani 1 1 d . U . . .
H60 H 1.109085 0.849026 0.543121 0.123 Uiso 1 1 calc R U . . .
C61 C 1.0359(14) 0.8578(5) 0.6296(14) 0.092(4) Uani 1 1 d . U . . .
H61 H 1.001271 0.872908 0.614177 0.110 Uiso 1 1 calc R U . . .
C62 C 1.0317(9) 0.8470(3) 0.6986(11) 0.065(4) Uani 1 1 d . U . . .
C63 C 0.8704(13) 0.8643(5) 0.7274(12) 0.085(6) Uani 1 1 d . . . . .
H63A H 0.847251 0.846262 0.738461 0.102 Uiso 1 1 calc R U . . .
H63B H 0.862181 0.866855 0.677330 0.102 Uiso 1 1 calc R U . . .
C64 C 0.8128(14) 0.8846(4) 0.7635(17) 0.100(8) Uani 1 1 d . . . . .
C65 C 0.8169(14) 0.9095(5) 0.7413(14) 0.093(7) Uani 1 1 d . . . . .
H65 H 0.855427 0.913750 0.704122 0.112 Uiso 1 1 calc R U . . .
C66 C 0.7602(15) 0.8788(5) 0.8204(15) 0.097(7) Uani 1 1 d . . . . .
H66 H 0.761734 0.861252 0.838654 0.117 Uiso 1 1 calc R U . . .
C67 C 0.7644(16) 0.9298(5) 0.7725(18) 0.113(9) Uani 1 1 d . . . . .
H67 H 0.766440 0.947522 0.755884 0.136 Uiso 1 1 calc R U . . .
C68 C 0.7076(15) 0.8973(5) 0.8498(15) 0.097(7) Uani 1 1 d . . . . .
H68 H 0.668316 0.892395 0.886151 0.116 Uiso 1 1 calc R U . . .
C69 C 0.7094(18) 0.9233(5) 0.8284(16) 0.108(8) Uani 1 1 d . . . . .
C70 C 0.651(2) 0.9457(5) 0.8614(16) 0.122(10) Uani 1 1 d . . . . .
H70A H 0.644667 0.941944 0.910807 0.146 Uiso 1 1 calc R U . . .
H70B H 0.683769 0.962912 0.856983 0.146 Uiso 1 1 calc R U . . .
C71 C 0.4855(17) 0.9289(6) 0.8451(17) 0.104(8) Uani 1 1 d . . . . .
C72 C 0.4602(19) 0.9288(6) 0.9134(16) 0.118(9) Uani 1 1 d . . . . .
H72 H 0.493256 0.938738 0.947777 0.142 Uiso 1 1 calc R U . . .
C73 C 0.382(3) 0.9127(8) 0.928(2) 0.159(13) Uiso 1 1 d . . . . .
H73 H 0.355746 0.913691 0.972016 0.191 Uiso 1 1 calc R U . . .
C74 C 0.3390(19) 0.8947(6) 0.8780(17) 0.119(10) Uani 1 1 d . . . . .
H74 H 0.289223 0.883024 0.889048 0.143 Uiso 1 1 calc R U . . .
C75 C 0.3750(17) 0.8955(5) 0.8135(16) 0.104(8) Uani 1 1 d . . . . .
H75 H 0.348117 0.884146 0.779315 0.125 Uiso 1 1 calc R U . . .
C76 C 0.4485(15) 0.9121(5) 0.7956(13) 0.087(6) Uani 1 1 d . . . . .
C77 C 0.5460(15) 0.8902(4) 0.7103(14) 0.092(7) Uani 1 1 d . . . . .
H77A H 0.565957 0.892595 0.662690 0.111 Uiso 1 1 calc R U . . .
H77B H 0.603288 0.890302 0.740473 0.111 Uiso 1 1 calc R U . . .
C78 C 0.4993(15) 0.8637(5) 0.7160(16) 0.095(7) Uani 1 1 d . . . . .
C79 C 0.4478(15) 0.8552(5) 0.6535(16) 0.099(8) Uani 1 1 d . . . . .
H79 H 0.445854 0.866118 0.613826 0.119 Uiso 1 1 calc R U . . .
C80 C 0.5044(13) 0.8483(4) 0.7713(12) 0.075(5) Uani 1 1 d . . . . .
H80 H 0.540525 0.853522 0.810700 0.090 Uiso 1 1 calc R U . . .
C81 C 0.4018(12) 0.8307(5) 0.6538(11) 0.082(6) Uani 1 1 d . . . . .
H81 H 0.369132 0.824679 0.613563 0.099 Uiso 1 1 calc R U . . .
C82 C 0.4549(13) 0.8239(4) 0.7701(11) 0.075(5) Uani 1 1 d . . . . .
H82 H 0.457695 0.813387 0.810619 0.091 Uiso 1 1 calc R U . . .
C83 C 0.4034(10) 0.8142(4) 0.7154(10) 0.069(5) Uani 1 1 d . . . . .
C84 C 0.3531(10) 0.7888(4) 0.7137(11) 0.070(5) Uani 1 1 d . . . . .
H84A H 0.297735 0.790416 0.681940 0.084 Uiso 1 1 calc R U . . .
H84B H 0.329755 0.785106 0.759880 0.084 Uiso 1 1 calc R U . . .
Pd7 Pd 0.73547(7) 0.70457(3) 0.44971(6) 0.0561(3) Uani 1 1 d . . . . .
Pd8 Pd 0.92583(8) 0.70972(3) 0.00068(7) 0.0644(4) Uani 1 1 d . . . . .
Pd9 Pd 1.34456(7) 0.67286(3) 0.31459(6) 0.0612(4) Uani 1 1 d . . . . .
Cl13 Cl 0.7557(2) 0.65864(9) 0.4495(2) 0.0607(10) Uani 1 1 d . . . . .
Cl14 Cl 0.5746(2) 0.70211(10) 0.4616(2) 0.0683(12) Uani 1 1 d . . . . .
Cl15 Cl 0.8715(3) 0.66919(10) 0.0352(2) 0.0719(12) Uani 1 1 d . . . . .
Cl16 Cl 1.0021(3) 0.69081(11) -0.0906(2) 0.0728(12) Uani 1 1 d . . . . .
Cl17 Cl 1.3044(3) 0.64123(11) 0.2339(2) 0.0708(12) Uani 1 1 d . . . . .
Cl18 Cl 1.3698(3) 0.64180(11) 0.3996(2) 0.0734(12) Uani 1 1 d . . . . .
N13 N 0.8760(8) 0.7105(3) 0.4564(6) 0.053(3) Uani 1 1 d . . . . .
H13N H 0.902462 0.699112 0.494336 0.064 Uiso 1 1 calc R U . . .
N14 N 0.7277(8) 0.7452(3) 0.4449(7) 0.061(4) Uani 1 1 d . . . . .
H14N H 0.683729 0.750559 0.481337 0.073 Uiso 1 1 calc R U . . .
N15 N 0.8556(9) 0.7282(3) 0.0762(7) 0.065(4) Uani 1 1 d . . . . .
H15N H 0.790072 0.720989 0.075832 0.078 Uiso 1 1 calc R U . . .
N16 N 0.9643(10) 0.7483(3) -0.0237(8) 0.073(4) Uani 1 1 d . . . . .
H16N H 0.943144 0.751134 -0.072468 0.088 Uiso 1 1 calc R U . . .
N17 N 1.3212(8) 0.7017(3) 0.2435(7) 0.065(4) Uani 1 1 d . . . . .
H17N H 1.351403 0.696774 0.199790 0.078 Uiso 1 1 calc R U . . .
N18 N 1.3829(8) 0.7025(4) 0.3780(7) 0.070(4) Uani 1 1 d . . . . .
H18N H 1.448859 0.698151 0.393538 0.085 Uiso 1 1 calc R U . . .
C85 C 0.8892(11) 0.7381(4) 0.4756(9) 0.068(5) Uani 1 1 d . . . . .
C86 C 0.9776(10) 0.7461(4) 0.5059(9) 0.068(5) Uani 1 1 d . . . . .
H86 H 1.026956 0.733770 0.514998 0.082 Uiso 1 1 calc R U . . .
C87 C 0.9874(12) 0.7731(4) 0.5213(9) 0.072(5) Uani 1 1 d . . . . .
H87 H 1.044849 0.779016 0.542421 0.086 Uiso 1 1 calc R U . . .
C88 C 0.9182(13) 0.7915(4) 0.5075(11) 0.076(5) Uani 1 1 d . . . . .
H88 H 0.928985 0.809956 0.515468 0.091 Uiso 1 1 calc R U . . .
C89 C 0.8303(11) 0.7824(4) 0.4811(9) 0.062(4) Uani 1 1 d . . . . .
H89 H 0.779657 0.794465 0.473234 0.075 Uiso 1 1 calc R U . . .
C90 C 0.8189(9) 0.7555(4) 0.4667(9) 0.061(4) Uani 1 1 d . . . . .
C91 C 0.6864(11) 0.7568(4) 0.3786(9) 0.068(5) Uani 1 1 d . . . . .
H91A H 0.688841 0.776463 0.380557 0.081 Uiso 1 1 calc R U . . .
H91B H 0.619718 0.751358 0.372571 0.081 Uiso 1 1 calc R U . . .
C92 C 0.7444(11) 0.7464(4) 0.3159(9) 0.061(4) Uani 1 1 d . . . . .
C93 C 0.7183(11) 0.7241(4) 0.2809(9) 0.068(5) Uani 1 1 d . . . . .
H93 H 0.666501 0.713776 0.295099 0.082 Uiso 1 1 calc R U . . .
C94 C 0.8260(12) 0.7604(4) 0.2967(9) 0.065(5) Uani 1 1 d . . . . .
H94 H 0.847103 0.775557 0.321935 0.078 Uiso 1 1 calc R U . . .
C95 C 0.7669(11) 0.7168(4) 0.2259(8) 0.067(5) Uani 1 1 d . . . . .
H95 H 0.744967 0.702260 0.198626 0.081 Uiso 1 1 calc R U . . .
C96 C 0.8734(12) 0.7519(4) 0.2417(10) 0.069(5) Uani 1 1 d . . . . .
H96 H 0.925608 0.761921 0.226870 0.082 Uiso 1 1 calc R U . . .
C97 C 0.8485(10) 0.7301(4) 0.2085(9) 0.065(5) Uani 1 1 d . . . . .
C98 C 0.9039(12) 0.7208(4) 0.1443(9) 0.074(5) Uani 1 1 d . . . . .
H98A H 0.967331 0.728952 0.146558 0.088 Uiso 1 1 calc R U . . .
H98B H 0.911935 0.701272 0.146210 0.088 Uiso 1 1 calc R U . . .
C99 C 0.8501(13) 0.7566(4) 0.0630(10) 0.068(5) Uani 1 1 d . . . . .
C100 C 0.7860(14) 0.7719(5) 0.0986(11) 0.079(6) Uani 1 1 d . . . . .
H100 H 0.744169 0.764238 0.130034 0.095 Uiso 1 1 calc R U . . .
C101 C 0.7876(18) 0.7978(8) 0.0857(13) 0.126(12) Uani 1 1 d . . . . .
H101 H 0.743655 0.808927 0.107595 0.151 Uiso 1 1 calc R U . . .
C102 C 0.855(2) 0.8105(5) 0.0381(15) 0.112(9) Uani 1 1 d . . . . .
H102 H 0.858589 0.829272 0.032537 0.134 Uiso 1 1 calc R U . . .
C103 C 0.9121(14) 0.7935(5) 0.0031(10) 0.078(6) Uani 1 1 d . . . . .
H103 H 0.952840 0.800334 -0.030263 0.094 Uiso 1 1 calc R U . . .
C104 C 0.9099(12) 0.7664(4) 0.0164(10) 0.070(5) Uani 1 1 d . . . . .
C105 C 1.0702(12) 0.7540(4) -0.0203(10) 0.073(5) Uani 1 1 d . . . . .
H10A H 1.099721 0.746275 -0.060949 0.087 Uiso 1 1 calc R U . . .
H10B H 1.080804 0.773488 -0.020949 0.087 Uiso 1 1 calc R U . . .
C106 C 1.1162(11) 0.7422(5) 0.0448(9) 0.072(6) Uani 1 1 d . . . . .
C107 C 1.1485(12) 0.7160(4) 0.0453(9) 0.070(5) Uani 1 1 d . . . . .
H107 H 1.145288 0.705678 0.004530 0.085 Uiso 1 1 calc R U . . .
C108 C 1.1194(12) 0.7565(4) 0.1053(10) 0.070(5) Uani 1 1 d . . . . .
H108 H 1.095955 0.774207 0.104398 0.084 Uiso 1 1 calc R U . . .
C109 C 1.1858(10) 0.7050(4) 0.1062(9) 0.066(5) Uani 1 1 d . . . . .
H109 H 1.212406 0.687628 0.105994 0.079 Uiso 1 1 calc R U . . .
C110 C 1.1549(12) 0.7466(4) 0.1669(10) 0.071(5) Uani 1 1 d . . . . .
H110 H 1.159683 0.757210 0.207053 0.085 Uiso 1 1 calc R U . . .
C111 C 1.1840(11) 0.7193(5) 0.1665(8) 0.068(5) Uani 1 1 d . . . . .
C112 C 1.2165(10) 0.7047(4) 0.2316(8) 0.069(5) Uani 1 1 d . . . . .
H11A H 1.191251 0.714366 0.271247 0.083 Uiso 1 1 calc R U . . .
H11B H 1.187906 0.686777 0.230901 0.083 Uiso 1 1 calc R U . . .
C113 C 1.3664(8) 0.7296(4) 0.2739(8) 0.058(5) Uani 1 1 d . . . . .
C114 C 1.3762(11) 0.7490(4) 0.2303(10) 0.072(5) Uani 1 1 d . . . . .
H114 H 1.358221 0.747766 0.183173 0.086 Uiso 1 1 calc R U . . .
C115 C 1.4167(13) 0.7723(5) 0.2610(12) 0.082(6) Uani 1 1 d . . . . .
H115 H 1.428410 0.787594 0.234056 0.098 Uiso 1 1 calc R U . . .
C116 C 1.4378(12) 0.7723(4) 0.3271(10) 0.068(5) Uani 1 1 d . . . . .
H116 H 1.462940 0.788216 0.346720 0.082 Uiso 1 1 calc R U . . .
C117 C 1.4260(11) 0.7516(5) 0.3683(11) 0.077(6) Uani 1 1 d . . . . .
H117 H 1.440810 0.752730 0.415932 0.093 Uiso 1 1 calc R U . . .
C118 C 1.3903(10) 0.7275(4) 0.3382(9) 0.059(4) Uani 1 1 d . . . . .
C119 C 1.3293(10) 0.7048(4) 0.4426(9) 0.068(5) Uani 1 1 d . . . . .
H11C H 1.349289 0.721085 0.467480 0.082 Uiso 1 1 calc R U . . .
H11D H 1.343900 0.689310 0.472419 0.082 Uiso 1 1 calc R U . . .
C120 C 1.2247(10) 0.7059(4) 0.4274(7) 0.055(4) Uani 1 1 d . . . . .
C121 C 1.1740(10) 0.6839(4) 0.4453(8) 0.060(4) Uani 1 1 d . . . . .
H121 H 1.205733 0.669443 0.467372 0.072 Uiso 1 1 calc R U . . .
C122 C 1.1778(11) 0.7271(4) 0.3975(9) 0.071(5) Uani 1 1 d . . . . .
H122 H 1.212030 0.742535 0.385478 0.086 Uiso 1 1 calc R U . . .
C123 C 1.0769(10) 0.6820(4) 0.4321(9) 0.059(4) Uani 1 1 d . . . . .
H123 H 1.042320 0.666691 0.444326 0.070 Uiso 1 1 calc R U . . .
C124 C 1.0827(11) 0.7262(4) 0.3849(8) 0.059(4) Uani 1 1 d . . . . .
H124 H 1.052197 0.741406 0.365609 0.071 Uiso 1 1 calc R U . . .
C125 C 1.0314(9) 0.7048(4) 0.3987(7) 0.057(4) Uani 1 1 d . . . . .
C126 C 0.9260(9) 0.7031(4) 0.3906(8) 0.066(5) Uani 1 1 d . . . . .
H12A H 0.908152 0.684806 0.376955 0.079 Uiso 1 1 calc R U . . .
H12B H 0.904396 0.715286 0.353375 0.079 Uiso 1 1 calc R U . . .
Pd10 Pd 1.02709(8) 0.61191(3) 0.45937(7) 0.0609(3) Uani 1 1 d . . . . .
Pd11 Pd 0.48034(11) 0.53960(4) 0.19958(11) 0.0901(5) Uani 1 1 d . . . . .
Pd12 Pd 0.94383(13) 0.44018(4) 0.27687(12) 0.0961(6) Uani 1 1 d . . . . .
Cl19 Cl 1.1665(3) 0.61217(11) 0.5202(2) 0.0741(12) Uani 1 1 d . . . . .
Cl20 Cl 0.9387(3) 0.60222(10) 0.5527(2) 0.0678(11) Uani 1 1 d . . . . .
Cl21 Cl 0.4018(5) 0.56066(14) 0.1112(5) 0.121(2) Uani 1 1 d . . . . .
Cl22 Cl 0.5243(4) 0.50477(13) 0.1312(4) 0.1046(18) Uani 1 1 d . . . . .
Cl23 Cl 0.8536(4) 0.40249(13) 0.2614(4) 0.112(2) Uani 1 1 d . . . . .
Cl24 Cl 0.9596(7) 0.43384(16) 0.3922(4) 0.141(3) Uani 1 1 d . . . . .
N19 N 1.0940(9) 0.6203(3) 0.3702(8) 0.067(4) Uani 1 1 d . . . . .
H19N H 1.137912 0.635475 0.379934 0.080 Uiso 1 1 calc R U . . .
N20 N 0.9058(9) 0.6132(3) 0.3970(7) 0.061(4) Uani 1 1 d . . . . .
H20N H 0.858030 0.624116 0.420715 0.074 Uiso 1 1 calc R U . . .
N21 N 0.4405(10) 0.5696(3) 0.2580(10) 0.080(5) Uani 1 1 d . . . . .
H21N H 0.375484 0.574443 0.241446 0.095 Uiso 1 1 calc R U . . .
N22 N 0.5281(9) 0.5228(3) 0.2888(11) 0.086(6) Uani 1 1 d . . . . .
H22N H 0.507559 0.503806 0.287218 0.104 Uiso 1 1 calc R U . . .
N23 N 0.9435(14) 0.4472(4) 0.1705(11) 0.097(6) Uani 1 1 d . . . . .
H23N H 0.968548 0.430868 0.148387 0.117 Uiso 1 1 calc R U . . .
N24 N 1.0193(12) 0.4748(3) 0.2853(10) 0.087(5) Uani 1 1 d . . . . .
H24N H 1.074554 0.471990 0.317470 0.104 Uiso 1 1 calc R U . . .
C127 C 1.0259(11) 0.6291(4) 0.3180(9) 0.063(5) Uani 1 1 d . . . . .
C128 C 1.0495(11) 0.6407(4) 0.2587(10) 0.068(5) Uani 1 1 d . . . . .
H128 H 1.114135 0.641887 0.248186 0.082 Uiso 1 1 calc R U . . .
C129 C 0.9830(13) 0.6511(4) 0.2125(12) 0.081(6) Uani 1 1 d . . . . .
H129 H 1.000684 0.659161 0.170908 0.097 Uiso 1 1 calc R U . . .
C130 C 0.8893(11) 0.6490(4) 0.2296(11) 0.073(5) Uani 1 1 d . . . . .
H130 H 0.841590 0.655552 0.198783 0.088 Uiso 1 1 calc R U . . .
C131 C 0.8642(11) 0.6376(4) 0.2912(9) 0.063(4) Uani 1 1 d . . . . .
H131 H 0.799858 0.637099 0.302647 0.076 Uiso 1 1 calc R U . . .
C132 C 0.9310(11) 0.6271(4) 0.3357(9) 0.060(4) Uani 1 1 d . . . . .
C133 C 0.8669(10) 0.5864(4) 0.3869(9) 0.059(4) Uani 1 1 d . . . . .
H13A H 0.862076 0.577551 0.431846 0.071 Uiso 1 1 calc R U . . .
H13B H 0.909948 0.575827 0.358976 0.071 Uiso 1 1 calc R U . . .
C134 C 0.7714(11) 0.5874(4) 0.3518(9) 0.064(4) Uani 1 1 d . . . . .
C135 C 0.6932(11) 0.5921(4) 0.3920(9) 0.064(4) Uani 1 1 d . . . . .
H135 H 0.700831 0.593591 0.440366 0.076 Uiso 1 1 calc R U . . .
C136 C 0.7552(12) 0.5838(4) 0.2810(9) 0.064(4) Uani 1 1 d . . . . .
H136 H 0.806108 0.579696 0.252543 0.076 Uiso 1 1 calc R U . . .
C137 C 0.6043(11) 0.5946(4) 0.3604(12) 0.078(6) Uani 1 1 d . . . . .
H137 H 0.551549 0.598185 0.387532 0.094 Uiso 1 1 calc R U . . .
C138 C 0.6690(13) 0.5862(4) 0.2541(13) 0.081(6) Uani 1 1 d . . . . .
H138 H 0.660118 0.583611 0.206200 0.097 Uiso 1 1 calc R U . . .
C139 C 0.5915(13) 0.5921(4) 0.2914(11) 0.076(5) Uani 1 1 d . . . . .
C140 C 0.4952(12) 0.5949(4) 0.2597(16) 0.101(9) Uani 1 1 d . . . . .
H14C H 0.460180 0.608350 0.285503 0.122 Uiso 1 1 calc R U . . .
H14D H 0.500621 0.601482 0.212247 0.122 Uiso 1 1 calc R U . . .
C141 C 0.4310(13) 0.5583(5) 0.3255(15) 0.094(4) Uani 1 1 d . U . . .
C142 C 0.3757(12) 0.5723(5) 0.3819(15) 0.096(5) Uani 1 1 d . U . . .
H142 H 0.348246 0.589259 0.373586 0.116 Uiso 1 1 calc R U . . .
C143 C 0.3667(13) 0.5605(5) 0.4417(16) 0.100(5) Uani 1 1 d . U . . .
H143 H 0.331068 0.568860 0.475959 0.120 Uiso 1 1 calc R U . . .
C144 C 0.4104(15) 0.5352(5) 0.4554(16) 0.109(5) Uani 1 1 d . U . . .
H144 H 0.400408 0.526609 0.497804 0.130 Uiso 1 1 calc R U . . .
C145 C 0.4688(15) 0.5226(5) 0.4064(15) 0.100(5) Uani 1 1 d . U . . .
H145 H 0.502310 0.506534 0.414760 0.120 Uiso 1 1 calc R U . . .
C146 C 0.4706(10) 0.5366(4) 0.3465(12) 0.075(4) Uani 1 1 d . U . . .
C147 C 0.6322(12) 0.5226(4) 0.3099(12) 0.081(6) Uani 1 1 d . . . . .
H14E H 0.639797 0.516185 0.357706 0.097 Uiso 1 1 calc R U . . .
H14F H 0.657474 0.540924 0.308056 0.097 Uiso 1 1 calc R U . . .
C148 C 0.6876(14) 0.5046(5) 0.2630(14) 0.091(7) Uani 1 1 d . . . . .
C149 C 0.6835(14) 0.4770(4) 0.2743(13) 0.084(6) Uani 1 1 d . . . . .
H149 H 0.647566 0.469793 0.309960 0.101 Uiso 1 1 calc R U . . .
C150 C 0.7382(13) 0.5141(4) 0.2120(12) 0.079(6) Uani 1 1 d . . . . .
H150 H 0.739497 0.532904 0.206387 0.095 Uiso 1 1 calc R U . . .
C151 C 0.7315(15) 0.4613(4) 0.2336(17) 0.109(9) Uani 1 1 d . . . . .
H151 H 0.727583 0.442600 0.240571 0.131 Uiso 1 1 calc R U . . .
C152 C 0.7891(16) 0.4990(5) 0.1663(14) 0.094(7) Uani 1 1 d . . . . .
H152 H 0.821060 0.506970 0.129605 0.113 Uiso 1 1 calc R U . . .
C153 C 0.7906(15) 0.4710(5) 0.1778(14) 0.096(7) Uani 1 1 d . . . . .
C154 C 0.8464(16) 0.4515(5) 0.1422(16) 0.105(8) Uani 1 1 d . . . . .
H15A H 0.850309 0.457125 0.093870 0.127 Uiso 1 1 calc R U . . .
H15B H 0.812723 0.434258 0.142579 0.127 Uiso 1 1 calc R U . . .
C155 C 1.0113(17) 0.4673(6) 0.1643(16) 0.105(8) Uani 1 1 d . . . . .
C156 C 1.0451(19) 0.4724(5) 0.0944(14) 0.101(7) Uani 1 1 d . . . . .
H156 H 1.015660 0.463912 0.055956 0.122 Uiso 1 1 calc R U . . .
C157 C 1.120(2) 0.4896(6) 0.0858(15) 0.111(8) Uani 1 1 d . . . . .
H157 H 1.143826 0.492331 0.041592 0.133 Uiso 1 1 calc R U . . .
C158 C 1.1569(19) 0.5020(6) 0.1388(15) 0.102(7) Uani 1 1 d . . . . .
H158 H 1.204738 0.514739 0.131347 0.123 Uiso 1 1 calc R U . . .
C159 C 1.1293(16) 0.4973(5) 0.2079(16) 0.100(7) Uani 1 1 d . . . . .
H159 H 1.161578 0.505399 0.245833 0.119 Uiso 1 1 calc R U . . .
C161 C 0.9582(15) 0.4965(4) 0.3131(13) 0.088(6) Uani 1 1 d . . . . .
H16A H 0.935035 0.490827 0.357956 0.106 Uiso 1 1 calc R U . . .
H16B H 0.902895 0.498983 0.281663 0.106 Uiso 1 1 calc R U . . .
C162 C 1.0084(12) 0.5230(4) 0.3219(13) 0.077(6) Uani 1 1 d . . . . .
C163 C 1.0556(15) 0.5292(5) 0.3818(12) 0.084(6) Uani 1 1 d . . . . .
H163 H 1.058329 0.516430 0.417702 0.101 Uiso 1 1 calc R U . . .
C164 C 1.0081(14) 0.5422(4) 0.2702(11) 0.075(5) Uani 1 1 d . . . . .
H164 H 0.974063 0.538626 0.228524 0.090 Uiso 1 1 calc R U . . .
C165 C 1.0980(13) 0.5525(4) 0.3909(10) 0.069(5) Uani 1 1 d . . . . .
H165 H 1.126363 0.556545 0.434300 0.082 Uiso 1 1 calc R U . . .
C166 C 1.0529(14) 0.5647(4) 0.2769(9) 0.071(5) Uani 1 1 d . . . . .
H166 H 1.052745 0.576920 0.239799 0.086 Uiso 1 1 calc R U . . .
C167 C 1.1019(11) 0.5711(4) 0.3392(11) 0.073(5) Uani 1 1 d . . . . .
C168 C 1.1539(12) 0.5967(5) 0.3458(9) 0.080(6) Uani 1 1 d . . . . .
H16C H 1.179429 0.601242 0.300750 0.096 Uiso 1 1 calc R U . . .
H16D H 1.207820 0.594231 0.378439 0.096 Uiso 1 1 calc R U . . .
C181 C 1.0531(17) 0.4805(5) 0.2166(13) 0.090(6) Uani 1 1 d . . . . .
C1G C 0.9916(13) 0.6041(4) 0.0517(10) 0.077(5) Uiso 1 1 d D . . . .
H1G H 0.956121 0.619600 0.069940 0.092 Uiso 1 1 calc R U . . .
C2G C 0.9636(15) 0.5790(4) 0.0765(11) 0.084(6) Uiso 1 1 d D . . . .
C3G C 1.0040(18) 0.5583(5) 0.0551(14) 0.110(8) Uiso 1 1 d D . . . .
H3G H 0.985605 0.541246 0.070469 0.133 Uiso 1 1 calc R U . . .
C4G C 1.089(2) 0.5614(5) 0.0003(15) 0.117(8) Uiso 1 1 d D . . . .
H4G1 H 1.148131 0.553669 0.019479 0.140 Uiso 1 1 calc R U . . .
H4G2 H 1.071965 0.552147 -0.043068 0.140 Uiso 1 1 calc R U . . .
C5G C 1.1008(15) 0.5910(4) -0.0122(12) 0.086(6) Uiso 1 1 d D . . . .
H5G H 1.149616 0.595818 -0.045698 0.103 Uiso 1 1 calc R U . . .
C6G C 1.1001(13) 0.6078(4) 0.0517(10) 0.079(5) Uiso 1 1 d D . . . .
C7G C 0.9978(15) 0.6034(5) -0.0277(11) 0.090(6) Uiso 1 1 d D . . . .
H7G1 H 0.997879 0.621115 -0.049871 0.108 Uiso 1 1 calc R U . . .
H7G2 H 0.952663 0.591128 -0.051023 0.108 Uiso 1 1 calc R U . . .
C8G C 0.8891(15) 0.5772(4) 0.1245(12) 0.088(6) Uiso 1 1 d D . . . .
H8G1 H 0.875173 0.558411 0.133298 0.132 Uiso 1 1 calc R U . . .
H8G2 H 0.832707 0.585994 0.105434 0.132 Uiso 1 1 calc R U . . .
H8G3 H 0.908935 0.585871 0.167522 0.132 Uiso 1 1 calc R U . . .
C9G C 1.1576(15) 0.5969(4) 0.1126(11) 0.086(6) Uiso 1 1 d D . . . .
H9G1 H 1.138012 0.578574 0.121717 0.130 Uiso 1 1 calc R U . . .
H9G2 H 1.147123 0.607928 0.152978 0.130 Uiso 1 1 calc R U . . .
H9G3 H 1.224473 0.597154 0.102229 0.130 Uiso 1 1 calc R U . . .
C10G C 1.1317(18) 0.6354(4) 0.0404(14) 0.111(8) Uiso 1 1 d D . . . .
H10C H 1.197869 0.635320 0.028101 0.167 Uiso 1 1 calc R U . . .
H10D H 1.124689 0.645744 0.082456 0.167 Uiso 1 1 calc R U . . .
H10E H 1.093416 0.643424 0.003278 0.167 Uiso 1 1 calc R U . . .
C11G C 0.444(2) 0.7977(6) 0.9519(15) 0.203(19) Uiso 1 1 d D . . . .
H11G H 0.477686 0.784944 0.922294 0.243 Uiso 1 1 calc R U . . .
C12G C 0.492(2) 0.8218(7) 0.967(2) 0.21(2) Uiso 1 1 d D . . . .
C13G C 0.450(3) 0.8386(7) 1.003(2) 0.196(18) Uiso 1 1 d D . . . .
H13G H 0.479243 0.855253 1.012737 0.236 Uiso 1 1 calc R U . . .
C14G C 0.347(3) 0.8321(8) 1.034(3) 0.28(3) Uiso 1 1 d D . . . .
H14G H 0.349900 0.832693 1.084854 0.338 Uiso 1 1 calc R U . . .
H14H H 0.299554 0.845330 1.017518 0.338 Uiso 1 1 calc R U . . .
C15G C 0.319(2) 0.8045(7) 1.010(2) 0.26(3) Uiso 1 1 d D . . . .
H15G H 0.257168 0.797534 1.023767 0.309 Uiso 1 1 calc R U . . .
C16G C 0.4030(17) 0.7857(4) 1.0177(13) 0.112(8) Uiso 1 1 d D . . . .
C17G C 0.340(3) 0.8035(8) 0.9296(17) 0.202(19) Uiso 1 1 d D . . . .
H17G H 0.307881 0.788770 0.904514 0.242 Uiso 1 1 calc R U . . .
H17H H 0.330008 0.820719 0.905516 0.242 Uiso 1 1 calc R U . . .
C18G C 0.590(2) 0.8245(9) 0.953(3) 0.23(2) Uiso 1 1 d D . . . .
H18G H 0.621191 0.807363 0.959519 0.350 Uiso 1 1 calc R U . . .
H18H H 0.618291 0.837778 0.983604 0.350 Uiso 1 1 calc R U . . .
H18I H 0.595950 0.830298 0.905161 0.350 Uiso 1 1 calc R U . . .
C19G C 0.460(2) 0.7918(7) 1.0838(16) 0.188(17) Uiso 1 1 d D . . . .
H19G H 0.512611 0.779278 1.088475 0.282 Uiso 1 1 calc R U . . .
H19H H 0.419305 0.789863 1.123034 0.282 Uiso 1 1 calc R U . . .
H19I H 0.484014 0.809998 1.082092 0.282 Uiso 1 1 calc R U . . .
C20G C 0.378(2) 0.7575(5) 1.0151(18) 0.157(13) Uiso 1 1 d D . . . .
H20C H 0.376615 0.751403 0.967471 0.235 Uiso 1 1 calc R U . . .
H20D H 0.315549 0.755049 1.034116 0.235 Uiso 1 1 calc R U . . .
H20E H 0.424412 0.747213 1.041966 0.235 Uiso 1 1 calc R U . . .
O1W O 0.1821(14) 0.4686(4) 0.3684(11) 0.122(6) Uiso 1 1 d . . . . .
O2W O 0.6800(17) 0.4122(5) 0.3618(13) 0.153(8) Uiso 1 1 d . . . . .
O3W O 0.9252(11) 0.7280(3) 0.7192(8) 0.093(4) Uiso 1 1 d . . . . .
O4W O 0.8754(9) 0.7386(3) 0.8466(7) 0.075(3) Uiso 1 1 d . . . . .
O5W O 0.5751(11) 0.6563(3) 0.3437(8) 0.092(4) Uiso 1 1 d . . . . .
O6W O 0.6286(11) 0.6519(3) 0.2187(8) 0.091(4) Uiso 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.023(12) . ?
Pd1 N2 2.051(15) . ?
Pd1 Cl2 2.310(3) . ?
Pd1 Cl1 2.321(5) . ?
Pd2 N3 2.064(14) . ?
Pd2 N4 2.068(16) . ?
Pd2 Cl3 2.296(5) . ?
Pd2 Cl4 2.309(4) . ?
Pd3 N6 2.021(14) . ?
Pd3 N5 2.061(15) . ?
Pd3 Cl6 2.295(5) . ?
Pd3 Cl5 2.307(5) . ?
N1 C1 1.40(3) . ?
N1 C42 1.514(19) . ?
N1 H1N 1.0000 . ?
N2 C7 1.48(2) . ?
N2 C6 1.498(19) . ?
N2 H2N 1.0000 . ?
N3 C15 1.42(2) . ?
N3 C14 1.54(2) . ?
N3 H3N 1.0000 . ?
N4 C20 1.46(2) . ?
N4 C21 1.48(2) . ?
N4 H4N 1.0000 . ?
N5 C28 1.492(19) . ?
N5 C29 1.52(2) . ?
N5 H5N 1.0000 . ?
N6 C34 1.43(2) . ?
N6 C35 1.528(17) . ?
N6 H6N 1.0000 . ?
C1 C2 1.42(2) . ?
C1 C6 1.45(3) . ?
C2 C3 1.36(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.35(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(3) . ?
C5 H5 0.9500 . ?
C7 C8 1.46(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.39(2) . ?
C8 C9 1.39(3) . ?
C9 C11 1.40(3) . ?
C9 H9 0.9500 . ?
C10 C12 1.40(2) . ?
C10 H10 0.9500 . ?
C11 C13 1.40(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.47(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.52(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.30(2) . ?
C15 C16 1.47(2) . ?
C16 C17 1.36(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.38(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.37(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.41(3) . ?
C19 H19 0.9500 . ?
C21 C22 1.50(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.36(3) . ?
C22 C24 1.37(3) . ?
C23 C25 1.39(2) . ?
C23 H23 0.9500 . ?
C24 C26 1.36(3) . ?
C24 H24 0.9500 . ?
C25 C27 1.36(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.40(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.55(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.35(2) . ?
C29 C30 1.37(3) . ?
C30 C31 1.43(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.41(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.35(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.41(3) . ?
C33 H33 0.9500 . ?
C35 C36 1.494(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.37(2) . ?
C36 C38 1.46(3) . ?
C37 C39 1.37(2) . ?
C37 H37 0.9500 . ?
C38 C40 1.35(2) . ?
C38 H38 0.9500 . ?
C39 C41 1.33(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.36(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.513(18) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N7 2.027(15) . ?
Pd4 N8 2.041(13) . ?
Pd4 Cl7 2.295(4) . ?
Pd4 Cl8 2.298(5) . ?
Pd5 N9 2.02(2) . ?
Pd5 N10 2.07(2) . ?
Pd5 Cl10 2.282(8) . ?
Pd5 Cl9 2.303(9) . ?
Pd6 N11 2.04(2) . ?
Pd6 N12 2.04(2) . ?
Pd6 Cl12 2.290(10) . ?
Pd6 Cl11 2.305(7) . ?
N7 C43 1.49(2) . ?
N7 C84 1.51(2) . ?
N7 H7N 1.0000 . ?
N8 C49 1.46(2) . ?
N8 C48 1.50(2) . ?
N8 H8N 1.0000 . ?
N9 C57 1.43(3) . ?
N9 C56 1.46(3) . ?
N9 H9N 1.0000 . ?
N10 C63 1.45(2) . ?
N10 C62 1.62(3) . ?
N10 H10N 1.0000 . ?
N11 C71 1.39(3) . ?
N11 C70 1.53(3) . ?
N11 H11N 1.0000 . ?
N12 C76 1.40(3) . ?
N12 C77 1.54(3) . ?
N12 H12N 1.0000 . ?
C43 C48 1.343(19) . ?
C43 C44 1.36(3) . ?
C44 C45 1.37(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.39(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.33(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.38(2) . ?
C47 H47 0.9500 . ?
C49 C50 1.52(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.38(2) . ?
C50 C52 1.38(3) . ?
C51 C53 1.45(2) . ?
C51 H51 0.9500 . ?
C52 C54 1.39(2) . ?
C52 H52 0.9500 . ?
C53 C55 1.34(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.39(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.55(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.27(3) . ?
C57 C58 1.45(3) . ?
C58 C59 1.25(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.40(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.41(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(3) . ?
C61 H61 0.9500 . ?
C63 C64 1.50(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.33(3) . ?
C64 C66 1.39(4) . ?
C65 C67 1.41(3) . ?
C65 H65 0.9500 . ?
C66 C68 1.34(3) . ?
C66 H66 0.9500 . ?
C67 C69 1.40(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.37(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.56(4) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C76 1.38(4) . ?
C71 C72 1.40(4) . ?
C72 C73 1.42(5) . ?
C72 H72 0.9500 . ?
C73 C74 1.45(5) . ?
C73 H73 0.9500 . ?
C74 C75 1.38(4) . ?
C74 H74 0.9500 . ?
C75 C76 1.39(3) . ?
C75 H75 0.9500 . ?
C77 C78 1.49(3) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C80 1.33(3) . ?
C78 C79 1.47(4) . ?
C79 C81 1.39(3) . ?
C79 H79 0.9500 . ?
C80 C82 1.41(3) . ?
C80 H80 0.9500 . ?
C81 C83 1.46(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.37(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.46(3) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
Pd7 N13 2.020(11) . ?
Pd7 N14 2.047(15) . ?
Pd7 Cl14 2.311(3) . ?
Pd7 Cl13 2.326(5) . ?
Pd8 N15 2.034(13) . ?
Pd8 N16 2.075(17) . ?
Pd8 Cl15 2.288(5) . ?
Pd8 Cl16 2.322(5) . ?
Pd9 N18 2.001(17) . ?
Pd9 N17 2.027(15) . ?
Pd9 Cl17 2.298(5) . ?
Pd9 Cl18 2.300(5) . ?
N13 C85 1.45(2) . ?
N13 C126 1.535(18) . ?
N13 H13N 1.0000 . ?
N14 C90 1.448(19) . ?
N14 C91 1.52(2) . ?
N14 H14N 1.0000 . ?
N15 C99 1.45(2) . ?
N15 C98 1.52(2) . ?
N15 H15N 1.0000 . ?
N16 C104 1.44(2) . ?
N16 C105 1.53(2) . ?
N16 H16N 1.0000 . ?
N17 C112 1.508(19) . ?
N17 C113 1.65(2) . ?
N17 H17N 1.0000 . ?
N18 C118 1.49(2) . ?
N18 C119 1.50(2) . ?
N18 H18N 1.0000 . ?
C85 C90 1.33(2) . ?
C85 C86 1.43(2) . ?
C86 C87 1.39(3) . ?
C86 H86 0.9500 . ?
C87 C88 1.37(3) . ?
C87 H87 0.9500 . ?
C88 C89 1.41(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.39(3) . ?
C89 H89 0.9500 . ?
C91 C92 1.59(2) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.36(3) . ?
C92 C94 1.42(2) . ?
C93 C95 1.35(2) . ?
C93 H93 0.9500 . ?
C94 C96 1.36(3) . ?
C94 H94 0.9500 . ?
C95 C97 1.39(2) . ?
C95 H95 0.9500 . ?
C96 C97 1.32(3) . ?
C96 H96 0.9500 . ?
C97 C98 1.57(2) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C104 1.36(3) . ?
C99 C100 1.40(3) . ?
C100 C101 1.33(4) . ?
C100 H100 0.9500 . ?
C101 C102 1.50(4) . ?
C101 H101 0.9500 . ?
C102 C103 1.37(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.39(3) . ?
C103 H103 0.9500 . ?
C105 C106 1.53(3) . ?
C105 H10A 0.9900 . ?
C105 H10B 0.9900 . ?
C106 C108 1.38(3) . ?
C106 C107 1.39(3) . ?
C107 C109 1.40(3) . ?
C107 H107 0.9500 . ?
C108 C110 1.38(3) . ?
C108 H108 0.9500 . ?
C109 C111 1.38(3) . ?
C109 H109 0.9500 . ?
C110 C111 1.43(3) . ?
C110 H110 0.9500 . ?
C111 C112 1.53(2) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C118 1.29(2) . ?
C113 C114 1.31(3) . ?
C114 C115 1.43(3) . ?
C114 H114 0.9500 . ?
C115 C116 1.32(3) . ?
C115 H115 0.9500 . ?
C116 C117 1.33(3) . ?
C116 H116 0.9500 . ?
C117 C118 1.43(3) . ?
C117 H117 0.9500 . ?
C119 C120 1.508(19) . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C120 C121 1.37(2) . ?
C120 C122 1.38(2) . ?
C121 C123 1.40(2) . ?
C121 H121 0.9500 . ?
C122 C124 1.37(2) . ?
C122 H122 0.9500 . ?
C123 C125 1.46(2) . ?
C123 H123 0.9500 . ?
C124 C125 1.33(2) . ?
C124 H124 0.9500 . ?
C125 C126 1.505(18) . ?
C126 H12A 0.9900 . ?
C126 H12B 0.9900 . ?
Pd10 N19 2.058(14) . ?
Pd10 N20 2.080(13) . ?
Pd10 Cl19 2.279(4) . ?
Pd10 Cl20 2.303(4) . ?
Pd11 N21 1.985(18) . ?
Pd11 N22 2.03(2) . ?
Pd11 Cl21 2.286(8) . ?
Pd11 Cl22 2.301(7) . ?
Pd12 N24 2.050(19) . ?
Pd12 N23 2.11(2) . ?
Pd12 Cl24 2.281(9) . ?
Pd12 Cl23 2.303(7) . ?
N19 C127 1.45(2) . ?
N19 C168 1.54(2) . ?
N19 H19N 1.0000 . ?
N20 C132 1.44(2) . ?
N20 C133 1.46(2) . ?
N20 H20N 1.0000 . ?
N21 C141 1.45(3) . ?
N21 C140 1.49(2) . ?
N21 H21N 1.0000 . ?
N22 C147 1.52(2) . ?
N22 C146 1.58(3) . ?
N22 H22N 1.0000 . ?
N23 C155 1.41(3) . ?
N23 C154 1.49(3) . ?
N23 H23N 1.0000 . ?
N24 C181 1.47(3) . ?
N24 C161 1.51(3) . ?
N24 H24N 1.0000 . ?
C127 C128 1.35(2) . ?
C127 C132 1.41(2) . ?
C128 C129 1.39(3) . ?
C128 H128 0.9500 . ?
C129 C130 1.39(2) . ?
C129 H129 0.9500 . ?
C130 C131 1.39(3) . ?
C130 H130 0.9500 . ?
C131 C132 1.37(2) . ?
C131 H131 0.9500 . ?
C133 C134 1.50(2) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C134 C135 1.40(2) . ?
C134 C136 1.41(3) . ?
C135 C137 1.40(2) . ?
C135 H135 0.9500 . ?
C136 C138 1.32(3) . ?
C136 H136 0.9500 . ?
C137 C139 1.36(3) . ?
C137 H137 0.9500 . ?
C138 C139 1.37(3) . ?
C138 H138 0.9500 . ?
C139 C140 1.49(2) . ?
C140 H14C 0.9900 . ?
C140 H14D 0.9900 . ?
C141 C146 1.29(3) . ?
C141 C142 1.55(3) . ?
C142 C143 1.32(4) . ?
C142 H142 0.9500 . ?
C143 C144 1.44(4) . ?
C143 H143 0.9500 . ?
C144 C145 1.43(4) . ?
C144 H144 0.9500 . ?
C145 C146 1.37(3) . ?
C145 H145 0.9500 . ?
C147 C148 1.52(3) . ?
C147 H14E 0.9900 . ?
C147 H14F 0.9900 . ?
C148 C150 1.34(3) . ?
C148 C149 1.41(3) . ?
C149 C151 1.33(3) . ?
C149 H149 0.9500 . ?
C150 C152 1.39(3) . ?
C150 H150 0.9500 . ?
C151 C153 1.48(4) . ?
C151 H151 0.9500 . ?
C152 C153 1.43(3) . ?
C152 H152 0.9500 . ?
C153 C154 1.45(3) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C155 C181 1.34(4) . ?
C155 C156 1.49(4) . ?
C156 C157 1.38(4) . ?
C156 H156 0.9500 . ?
C157 C158 1.31(4) . ?
C157 H157 0.9500 . ?
C158 C159 1.44(4) . ?
C158 H158 0.9500 . ?
C159 C181 1.39(3) . ?
C159 H159 0.9500 . ?
C161 C162 1.52(3) . ?
C161 H16A 0.9900 . ?
C161 H16B 0.9900 . ?
C162 C163 1.36(3) . ?
C162 C164 1.40(3) . ?
C163 C165 1.33(3) . ?
C163 H163 0.9500 . ?
C164 C166 1.30(3) . ?
C164 H164 0.9500 . ?
C165 C167 1.38(3) . ?
C165 H165 0.9500 . ?
C166 C167 1.42(3) . ?
C166 H166 0.9500 . ?
C167 C168 1.49(3) . ?
C168 H16C 0.9900 . ?
C168 H16D 0.9900 . ?
C1G C2G 1.41(3) . ?
C1G C6G 1.55(2) . ?
C1G C7G 1.56(3) . ?
C1G H1G 1.0000 . ?
C2G C3G 1.27(3) . ?
C2G C8G 1.44(3) . ?
C3G C4G 1.65(3) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.51(3) . ?
C4G H4G1 0.9900 . ?
C4G H4G2 0.9900 . ?
C5G C6G 1.51(3) . ?
C5G C7G 1.61(3) . ?
C5G H5G 1.0000 . ?
C6G C10G 1.47(2) . ?
C6G C9G 1.52(3) . ?
C7G H7G1 0.9900 . ?
C7G H7G2 0.9900 . ?
C8G H8G1 0.9800 . ?
C8G H8G2 0.9800 . ?
C8G H8G3 0.9800 . ?
C9G H9G1 0.9800 . ?
C9G H9G2 0.9800 . ?
C9G H9G3 0.9800 . ?
C10G H10C 0.9800 . ?
C10G H10D 0.9800 . ?
C10G H10E 0.9800 . ?
C11G C12G 1.41(3) . ?
C11G C16G 1.55(3) . ?
C11G C17G 1.56(3) . ?
C11G H11G 1.0000 . ?
C12G C13G 1.26(3) . ?
C12G C18G 1.44(3) . ?
C13G C14G 1.65(4) . ?
C13G H13G 0.9500 . ?
C14G C15G 1.51(3) . ?
C14G H14G 0.9900 . ?
C14G H14H 0.9900 . ?
C15G C16G 1.52(3) . ?
C15G C17G 1.60(3) . ?
C15G H15G 1.0000 . ?
C16G C20G 1.46(3) . ?
C16G C19G 1.53(3) . ?
C17G H17G 0.9900 . ?
C17G H17H 0.9900 . ?
C18G H18G 0.9800 . ?
C18G H18H 0.9800 . ?
C18G H18I 0.9800 . ?
C19G H19G 0.9800 . ?
C19G H19H 0.9800 . ?
C19G H19I 0.9800 . ?
C20G H20C 0.9800 . ?
C20G H20D 0.9800 . ?
C20G H20E 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
N1 Pd1 N2 85.4(5) . . ?
N1 Pd1 Cl2 169.8(4) . . ?
N2 Pd1 Cl2 90.0(3) . . ?
N1 Pd1 Cl1 91.5(4) . . ?
N2 Pd1 Cl1 174.1(3) . . ?
Cl2 Pd1 Cl1 93.86(16) . . ?
N3 Pd2 N4 83.5(6) . . ?
N3 Pd2 Cl3 91.2(5) . . ?
N4 Pd2 Cl3 174.7(4) . . ?
N3 Pd2 Cl4 176.2(5) . . ?
N4 Pd2 Cl4 93.2(4) . . ?
Cl3 Pd2 Cl4 92.07(19) . . ?
N6 Pd3 N5 83.6(6) . . ?
N6 Pd3 Cl6 92.3(4) . . ?
N5 Pd3 Cl6 175.0(5) . . ?
N6 Pd3 Cl5 174.5(4) . . ?
N5 Pd3 Cl5 91.4(5) . . ?
Cl6 Pd3 Cl5 92.8(2) . . ?
C1 N1 C42 113.0(13) . . ?
C1 N1 Pd1 107.5(10) . . ?
C42 N1 Pd1 114.1(9) . . ?
C1 N1 H1N 107.3 . . ?
C42 N1 H1N 107.3 . . ?
Pd1 N1 H1N 107.3 . . ?
C7 N2 C6 113.9(13) . . ?
C7 N2 Pd1 116.4(11) . . ?
C6 N2 Pd1 108.0(10) . . ?
C7 N2 H2N 105.9 . . ?
C6 N2 H2N 105.9 . . ?
Pd1 N2 H2N 105.9 . . ?
C15 N3 C14 116.4(15) . . ?
C15 N3 Pd2 107.1(10) . . ?
C14 N3 Pd2 107.9(10) . . ?
C15 N3 H3N 108.4 . . ?
C14 N3 H3N 108.4 . . ?
Pd2 N3 H3N 108.4 . . ?
C20 N4 C21 115.2(15) . . ?
C20 N4 Pd2 106.6(11) . . ?
C21 N4 Pd2 115.7(12) . . ?
C20 N4 H4N 106.2 . . ?
C21 N4 H4N 106.2 . . ?
Pd2 N4 H4N 106.2 . . ?
C28 N5 C29 114.7(14) . . ?
C28 N5 Pd3 107.9(11) . . ?
C29 N5 Pd3 108.0(9) . . ?
C28 N5 H5N 108.7 . . ?
C29 N5 H5N 108.7 . . ?
Pd3 N5 H5N 108.7 . . ?
C34 N6 C35 113.5(13) . . ?
C34 N6 Pd3 110.4(10) . . ?
C35 N6 Pd3 116.5(9) . . ?
C34 N6 H6N 105.1 . . ?
C35 N6 H6N 105.1 . . ?
Pd3 N6 H6N 105.1 . . ?
N1 C1 C2 125.2(18) . . ?
N1 C1 C6 120.4(15) . . ?
C2 C1 C6 114(2) . . ?
C3 C2 C1 121.2(19) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 120.2(19) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 126(2) . . ?
C3 C4 H4 117.1 . . ?
C5 C4 H4 117.1 . . ?
C4 C5 C6 113.5(19) . . ?
C4 C5 H5 123.3 . . ?
C6 C5 H5 123.3 . . ?
C5 C6 C1 124.9(16) . . ?
C5 C6 N2 121.3(15) . . ?
C1 C6 N2 113.4(17) . . ?
C8 C7 N2 111.7(14) . . ?
C8 C7 H7A 109.3 . . ?
N2 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
N2 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C10 C8 C9 117.4(15) . . ?
C10 C8 C7 121.3(18) . . ?
C9 C8 C7 121.3(15) . . ?
C8 C9 C11 123.0(15) . . ?
C8 C9 H9 118.5 . . ?
C11 C9 H9 118.5 . . ?
C8 C10 C12 124(2) . . ?
C8 C10 H10 118.2 . . ?
C12 C10 H10 118.2 . . ?
C9 C11 C13 119.5(18) . . ?
C9 C11 H11 120.3 . . ?
C13 C11 H11 120.3 . . ?
C10 C12 C13 117.3(17) . . ?
C10 C12 H12 121.3 . . ?
C13 C12 H12 121.3 . . ?
C11 C13 C12 119.3(16) . . ?
C11 C13 C14 121.1(17) . . ?
C12 C13 C14 119.7(14) . . ?
C13 C14 N3 110.6(13) . . ?
C13 C14 H14A 109.5 . . ?
N3 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C20 C15 N3 120.2(16) . . ?
C20 C15 C16 121.3(18) . . ?
N3 C15 C16 118.5(16) . . ?
C17 C16 C15 116.0(19) . . ?
C17 C16 H16 122.0 . . ?
C15 C16 H16 122.0 . . ?
C16 C17 C18 124(2) . . ?
C16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C19 C18 C17 117(2) . . ?
C19 C18 H18 121.6 . . ?
C17 C18 H18 121.6 . . ?
C18 C19 C20 122.6(19) . . ?
C18 C19 H19 118.7 . . ?
C20 C19 H19 118.7 . . ?
C15 C20 C19 119.2(17) . . ?
C15 C20 N4 119.7(19) . . ?
C19 C20 N4 121.0(16) . . ?
N4 C21 C22 110.7(14) . . ?
N4 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C24 116.2(17) . . ?
C23 C22 C21 122.3(18) . . ?
C24 C22 C21 122(2) . . ?
C22 C23 C25 123.9(17) . . ?
C22 C23 H23 118.1 . . ?
C25 C23 H23 118.1 . . ?
C26 C24 C22 122(2) . . ?
C26 C24 H24 119.1 . . ?
C22 C24 H24 119.1 . . ?
C27 C25 C23 118.7(18) . . ?
C27 C25 H25 120.6 . . ?
C23 C25 H25 120.6 . . ?
C24 C26 C27 121(2) . . ?
C24 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C25 C27 C26 118.3(19) . . ?
C25 C27 C28 120.9(18) . . ?
C26 C27 C28 120.7(18) . . ?
N5 C28 C27 113.0(14) . . ?
N5 C28 H28A 109.0 . . ?
C27 C28 H28A 109.0 . . ?
N5 C28 H28B 109.0 . . ?
C27 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C34 C29 C30 127.7(19) . . ?
C34 C29 N5 114.2(15) . . ?
C30 C29 N5 118.0(15) . . ?
C29 C30 C31 116.3(19) . . ?
C29 C30 H30 121.8 . . ?
C31 C30 H30 121.8 . . ?
C32 C31 C30 118.3(19) . . ?
C32 C31 H31 120.9 . . ?
C30 C31 H31 120.9 . . ?
C33 C32 C31 120.4(19) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 123.1(18) . . ?
C32 C33 H33 118.4 . . ?
C34 C33 H33 118.4 . . ?
C29 C34 C33 114.2(19) . . ?
C29 C34 N6 120.6(18) . . ?
C33 C34 N6 125.0(16) . . ?
C36 C35 N6 109.9(11) . . ?
C36 C35 H35A 109.7 . . ?
N6 C35 H35A 109.7 . . ?
C36 C35 H35B 109.7 . . ?
N6 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 C38 117.0(14) . . ?
C37 C36 C35 121.3(16) . . ?
C38 C36 C35 121.6(16) . . ?
C39 C37 C36 118.9(17) . . ?
C39 C37 H37 120.6 . . ?
C36 C37 H37 120.6 . . ?
C40 C38 C36 118.6(17) . . ?
C40 C38 H38 120.7 . . ?
C36 C38 H38 120.7 . . ?
C41 C39 C37 124.9(18) . . ?
C41 C39 H39 117.6 . . ?
C37 C39 H39 117.6 . . ?
C41 C40 C38 123.2(17) . . ?
C41 C40 H40 118.4 . . ?
C38 C40 H40 118.4 . . ?
C39 C41 C40 116.8(14) . . ?
C39 C41 C42 119.1(16) . . ?
C40 C41 C42 123.5(16) . . ?
C41 C42 N1 113.6(13) . . ?
C41 C42 H42A 108.8 . . ?
N1 C42 H42A 108.8 . . ?
C41 C42 H42B 108.8 . . ?
N1 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
N7 Pd4 N8 84.6(5) . . ?
N7 Pd4 Cl7 91.7(4) . . ?
N8 Pd4 Cl7 175.9(4) . . ?
N7 Pd4 Cl8 174.0(4) . . ?
N8 Pd4 Cl8 89.7(4) . . ?
Cl7 Pd4 Cl8 94.01(17) . . ?
N9 Pd5 N10 85.5(7) . . ?
N9 Pd5 Cl10 175.9(6) . . ?
N10 Pd5 Cl10 92.3(5) . . ?
N9 Pd5 Cl9 89.4(6) . . ?
N10 Pd5 Cl9 173.9(6) . . ?
Cl10 Pd5 Cl9 92.6(3) . . ?
N11 Pd6 N12 83.4(8) . . ?
N11 Pd6 Cl12 172.9(6) . . ?
N12 Pd6 Cl12 91.9(7) . . ?
N11 Pd6 Cl11 93.1(6) . . ?
N12 Pd6 Cl11 176.1(7) . . ?
Cl12 Pd6 Cl11 91.8(3) . . ?
C43 N7 C84 113.5(14) . . ?
C43 N7 Pd4 108.7(9) . . ?
C84 N7 Pd4 113.3(11) . . ?
C43 N7 H7N 107.0 . . ?
C84 N7 H7N 107.0 . . ?
Pd4 N7 H7N 107.0 . . ?
C49 N8 C48 112.9(14) . . ?
C49 N8 Pd4 110.9(11) . . ?
C48 N8 Pd4 107.5(9) . . ?
C49 N8 H8N 108.5 . . ?
C48 N8 H8N 108.5 . . ?
Pd4 N8 H8N 108.5 . . ?
C57 N9 C56 111.1(19) . . ?
C57 N9 Pd5 108.6(13) . . ?
C56 N9 Pd5 123.4(16) . . ?
C57 N9 H9N 103.9 . . ?
C56 N9 H9N 103.9 . . ?
Pd5 N9 H9N 103.9 . . ?
C63 N10 C62 111.1(17) . . ?
C63 N10 Pd5 120.4(14) . . ?
C62 N10 Pd5 99.8(11) . . ?
C63 N10 H10N 108.3 . . ?
C62 N10 H10N 108.3 . . ?
Pd5 N10 H10N 108.3 . . ?
C71 N11 C70 118(2) . . ?
C71 N11 Pd6 108.3(19) . . ?
C70 N11 Pd6 111.5(15) . . ?
C71 N11 H11N 106.2 . . ?
C70 N11 H11N 106.2 . . ?
Pd6 N11 H11N 106.2 . . ?
C76 N12 C77 113.3(18) . . ?
C76 N12 Pd6 108.5(16) . . ?
C77 N12 Pd6 109.6(13) . . ?
C76 N12 H12N 108.4 . . ?
C77 N12 H12N 108.4 . . ?
Pd6 N12 H12N 108.4 . . ?
C48 C43 C44 118.8(17) . . ?
C48 C43 N7 118.2(15) . . ?
C44 C43 N7 122.9(13) . . ?
C43 C44 C45 121.6(15) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C44 C45 C46 118.4(17) . . ?
C44 C45 H45 120.8 . . ?
C46 C45 H45 120.8 . . ?
C47 C46 C45 120.3(18) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C46 C47 C48 119.4(15) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
C43 C48 C47 121.4(16) . . ?
C43 C48 N8 117.3(15) . . ?
C47 C48 N8 121.3(13) . . ?
N8 C49 C50 116.4(15) . . ?
N8 C49 H49A 108.2 . . ?
C50 C49 H49A 108.2 . . ?
N8 C49 H49B 108.2 . . ?
C50 C49 H49B 108.2 . . ?
H49A C49 H49B 107.3 . . ?
C51 C50 C52 120.6(16) . . ?
C51 C50 C49 116.2(17) . . ?
C52 C50 C49 122.6(15) . . ?
C50 C51 C53 118.9(19) . . ?
C50 C51 H51 120.6 . . ?
C53 C51 H51 120.6 . . ?
C50 C52 C54 119.1(17) . . ?
C50 C52 H52 120.5 . . ?
C54 C52 H52 120.5 . . ?
C55 C53 C51 119.7(17) . . ?
C55 C53 H53 120.1 . . ?
C51 C53 H53 120.1 . . ?
C52 C54 C55 121.2(18) . . ?
C52 C54 H54 119.4 . . ?
C55 C54 H54 119.4 . . ?
C53 C55 C54 120.4(15) . . ?
C53 C55 C56 117.4(19) . . ?
C54 C55 C56 122(2) . . ?
N9 C56 C55 108.5(17) . . ?
N9 C56 H56A 110.0 . . ?
C55 C56 H56A 110.0 . . ?
N9 C56 H56B 110.0 . . ?
C55 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
C62 C57 N9 117.6(19) . . ?
C62 C57 C58 115(3) . . ?
N9 C57 C58 127(2) . . ?
C59 C58 C57 122(3) . . ?
C59 C58 H58 119.1 . . ?
C57 C58 H58 119.1 . . ?
C58 C59 C60 124(2) . . ?
C58 C59 H59 117.9 . . ?
C60 C59 H59 117.9 . . ?
C59 C60 C61 118(3) . . ?
C59 C60 H60 120.8 . . ?
C61 C60 H60 120.8 . . ?
C60 C61 C62 113(2) . . ?
C60 C61 H61 123.7 . . ?
C62 C61 H61 123.7 . . ?
C57 C62 C61 128(2) . . ?
C57 C62 N10 121(2) . . ?
C61 C62 N10 110.9(16) . . ?
N10 C63 C64 112(2) . . ?
N10 C63 H63A 109.1 . . ?
C64 C63 H63A 109.1 . . ?
N10 C63 H63B 109.1 . . ?
C64 C63 H63B 109.1 . . ?
H63A C63 H63B 107.9 . . ?
C65 C64 C66 119(2) . . ?
C65 C64 C63 117(2) . . ?
C66 C64 C63 123(2) . . ?
C64 C65 C67 121(2) . . ?
C64 C65 H65 119.7 . . ?
C67 C65 H65 119.7 . . ?
C68 C66 C64 121(2) . . ?
C68 C66 H66 119.3 . . ?
C64 C66 H66 119.3 . . ?
C69 C67 C65 119(2) . . ?
C69 C67 H67 120.5 . . ?
C65 C67 H67 120.5 . . ?
C66 C68 C69 121(2) . . ?
C66 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C68 C69 C67 118(2) . . ?
C68 C69 C70 123(3) . . ?
C67 C69 C70 119(2) . . ?
N11 C70 C69 111(2) . . ?
N11 C70 H70A 109.4 . . ?
C69 C70 H70A 109.4 . . ?
N11 C70 H70B 109.4 . . ?
C69 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
C76 C71 C72 124(3) . . ?
C76 C71 N11 119(3) . . ?
C72 C71 N11 116(3) . . ?
C71 C72 C73 115(3) . . ?
C71 C72 H72 122.4 . . ?
C73 C72 H72 122.4 . . ?
C72 C73 C74 122(4) . . ?
C72 C73 H73 118.8 . . ?
C74 C73 H73 118.8 . . ?
C75 C74 C73 116(3) . . ?
C75 C74 H74 122.0 . . ?
C73 C74 H74 122.0 . . ?
C74 C75 C76 124(3) . . ?
C74 C75 H75 118.2 . . ?
C76 C75 H75 118.2 . . ?
C71 C76 C75 118(2) . . ?
C71 C76 N12 118(2) . . ?
C75 C76 N12 124(3) . . ?
C78 C77 N12 114.3(18) . . ?
C78 C77 H77A 108.7 . . ?
N12 C77 H77A 108.7 . . ?
C78 C77 H77B 108.7 . . ?
N12 C77 H77B 108.7 . . ?
H77A C77 H77B 107.6 . . ?
C80 C78 C79 121(2) . . ?
C80 C78 C77 125(2) . . ?
C79 C78 C77 114(3) . . ?
C81 C79 C78 118(2) . . ?
C81 C79 H79 120.8 . . ?
C78 C79 H79 120.8 . . ?
C78 C80 C82 119(2) . . ?
C78 C80 H80 120.7 . . ?
C82 C80 H80 120.7 . . ?
C79 C81 C83 121(2) . . ?
C79 C81 H81 119.6 . . ?
C83 C81 H81 119.6 . . ?
C83 C82 C80 125(2) . . ?
C83 C82 H82 117.4 . . ?
C80 C82 H82 117.4 . . ?
C82 C83 C84 125.4(19) . . ?
C82 C83 C81 115.8(19) . . ?
C84 C83 C81 118.9(18) . . ?
C83 C84 N7 114.2(12) . . ?
C83 C84 H84A 108.7 . . ?
N7 C84 H84A 108.7 . . ?
C83 C84 H84B 108.7 . . ?
N7 C84 H84B 108.7 . . ?
H84A C84 H84B 107.6 . . ?
N13 Pd7 N14 84.7(5) . . ?
N13 Pd7 Cl14 169.1(4) . . ?
N14 Pd7 Cl14 90.3(3) . . ?
N13 Pd7 Cl13 91.3(4) . . ?
N14 Pd7 Cl13 175.1(4) . . ?
Cl14 Pd7 Cl13 94.03(16) . . ?
N15 Pd8 N16 83.1(6) . . ?
N15 Pd8 Cl15 90.8(5) . . ?
N16 Pd8 Cl15 173.7(5) . . ?
N15 Pd8 Cl16 176.1(4) . . ?
N16 Pd8 Cl16 94.2(5) . . ?
Cl15 Pd8 Cl16 91.93(19) . . ?
N18 Pd9 N17 85.9(6) . . ?
N18 Pd9 Cl17 174.9(4) . . ?
N17 Pd9 Cl17 89.5(4) . . ?
N18 Pd9 Cl18 91.4(5) . . ?
N17 Pd9 Cl18 177.0(5) . . ?
Cl17 Pd9 Cl18 93.22(19) . . ?
C85 N13 C126 112.8(13) . . ?
C85 N13 Pd7 106.1(9) . . ?
C126 N13 Pd7 113.3(9) . . ?
C85 N13 H13N 108.1 . . ?
C126 N13 H13N 108.1 . . ?
Pd7 N13 H13N 108.1 . . ?
C90 N14 C91 115.5(14) . . ?
C90 N14 Pd7 107.2(11) . . ?
C91 N14 Pd7 116.1(11) . . ?
C90 N14 H14N 105.7 . . ?
C91 N14 H14N 105.7 . . ?
Pd7 N14 H14N 105.7 . . ?
C99 N15 C98 114.4(15) . . ?
C99 N15 Pd8 110.2(11) . . ?
C98 N15 Pd8 107.8(10) . . ?
C99 N15 H15N 108.1 . . ?
C98 N15 H15N 108.1 . . ?
Pd8 N15 H15N 108.1 . . ?
C104 N16 C105 113.8(16) . . ?
C104 N16 Pd8 108.3(12) . . ?
C105 N16 Pd8 115.6(12) . . ?
C104 N16 H16N 106.2 . . ?
C105 N16 H16N 106.2 . . ?
Pd8 N16 H16N 106.2 . . ?
C112 N17 C113 109.9(13) . . ?
C112 N17 Pd9 108.5(10) . . ?
C113 N17 Pd9 108.0(9) . . ?
C112 N17 H17N 110.2 . . ?
C113 N17 H17N 110.2 . . ?
Pd9 N17 H17N 110.2 . . ?
C118 N18 C119 115.0(15) . . ?
C118 N18 Pd9 109.1(10) . . ?
C119 N18 Pd9 116.3(11) . . ?
C118 N18 H18N 105.1 . . ?
C119 N18 H18N 105.1 . . ?
Pd9 N18 H18N 105.1 . . ?
C90 C85 C86 121.0(19) . . ?
C90 C85 N13 120.2(15) . . ?
C86 C85 N13 118.8(16) . . ?
C87 C86 C85 116.3(17) . . ?
C87 C86 H86 121.8 . . ?
C85 C86 H86 121.8 . . ?
C88 C87 C86 123.2(17) . . ?
C88 C87 H87 118.4 . . ?
C86 C87 H87 118.4 . . ?
C87 C88 C89 118.2(19) . . ?
C87 C88 H88 120.9 . . ?
C89 C88 H88 120.9 . . ?
C90 C89 C88 119.1(16) . . ?
C90 C89 H89 120.5 . . ?
C88 C89 H89 120.5 . . ?
C85 C90 C89 121.9(15) . . ?
C85 C90 N14 117.7(17) . . ?
C89 C90 N14 120.3(15) . . ?
N14 C91 C92 109.7(13) . . ?
N14 C91 H91A 109.7 . . ?
C92 C91 H91A 109.7 . . ?
N14 C91 H91B 109.7 . . ?
C92 C91 H91B 109.7 . . ?
H91A C91 H91B 108.2 . . ?
C93 C92 C94 119.2(16) . . ?
C93 C92 C91 121.2(15) . . ?
C94 C92 C91 119.5(16) . . ?
C95 C93 C92 119.2(17) . . ?
C95 C93 H93 120.4 . . ?
C92 C93 H93 120.4 . . ?
C96 C94 C92 119.1(19) . . ?
C96 C94 H94 120.4 . . ?
C92 C94 H94 120.4 . . ?
C93 C95 C97 121.2(18) . . ?
C93 C95 H95 119.4 . . ?
C97 C95 H95 119.4 . . ?
C97 C96 C94 121.3(17) . . ?
C97 C96 H96 119.3 . . ?
C94 C96 H96 119.3 . . ?
C96 C97 C95 119.5(16) . . ?
C96 C97 C98 120.3(16) . . ?
C95 C97 C98 119.9(18) . . ?
N15 C98 C97 113.7(12) . . ?
N15 C98 H98A 108.8 . . ?
C97 C98 H98A 108.8 . . ?
N15 C98 H98B 108.8 . . ?
C97 C98 H98B 108.8 . . ?
H98A C98 H98B 107.7 . . ?
C104 C99 C100 124.7(19) . . ?
C104 C99 N15 116.3(16) . . ?
C100 C99 N15 119.0(18) . . ?
C101 C100 C99 115(2) . . ?
C101 C100 H100 122.3 . . ?
C99 C100 H100 122.3 . . ?
C100 C101 C102 123(2) . . ?
C100 C101 H101 118.3 . . ?
C102 C101 H101 118.3 . . ?
C103 C102 C101 116(2) . . ?
C103 C102 H102 121.8 . . ?
C101 C102 H102 121.8 . . ?
C102 C103 C104 120(2) . . ?
C102 C103 H103 120.0 . . ?
C104 C103 H103 120.0 . . ?
C99 C104 C103 120.0(18) . . ?
C99 C104 N16 119.7(18) . . ?
C103 C104 N16 120.1(19) . . ?
C106 C105 N16 110.7(14) . . ?
C106 C105 H10A 109.5 . . ?
N16 C105 H10A 109.5 . . ?
C106 C105 H10B 109.5 . . ?
N16 C105 H10B 109.5 . . ?
H10A C105 H10B 108.1 . . ?
C108 C106 C107 119.0(18) . . ?
C108 C106 C105 121(2) . . ?
C107 C106 C105 120.2(17) . . ?
C106 C107 C109 119.6(18) . . ?
C106 C107 H107 120.2 . . ?
C109 C107 H107 120.2 . . ?
C106 C108 C110 124(2) . . ?
C106 C108 H108 118.1 . . ?
C110 C108 H108 118.1 . . ?
C111 C109 C107 120.1(19) . . ?
C111 C109 H109 119.9 . . ?
C107 C109 H109 119.9 . . ?
C108 C110 C111 115.9(17) . . ?
C108 C110 H110 122.0 . . ?
C111 C110 H110 122.0 . . ?
C109 C111 C110 121.1(16) . . ?
C109 C111 C112 116.7(19) . . ?
C110 C111 C112 122.2(16) . . ?
N17 C112 C111 116.5(13) . . ?
N17 C112 H11A 108.2 . . ?
C111 C112 H11A 108.2 . . ?
N17 C112 H11B 108.2 . . ?
C111 C112 H11B 108.2 . . ?
H11A C112 H11B 107.3 . . ?
C118 C113 C114 132(2) . . ?
C118 C113 N17 111.6(15) . . ?
C114 C113 N17 116.7(16) . . ?
C113 C114 C115 112.8(19) . . ?
C113 C114 H114 123.6 . . ?
C115 C114 H114 123.6 . . ?
C116 C115 C114 119(2) . . ?
C116 C115 H115 120.4 . . ?
C114 C115 H115 120.4 . . ?
C115 C116 C117 124(2) . . ?
C115 C116 H116 117.9 . . ?
C117 C116 H116 117.9 . . ?
C116 C117 C118 117.7(19) . . ?
C116 C117 H117 121.2 . . ?
C118 C117 H117 121.2 . . ?
C113 C118 C117 114.1(18) . . ?
C113 C118 N18 123.8(18) . . ?
C117 C118 N18 122.1(16) . . ?
N18 C119 C120 111.3(13) . . ?
N18 C119 H11C 109.4 . . ?
C120 C119 H11C 109.4 . . ?
N18 C119 H11D 109.4 . . ?
C120 C119 H11D 109.4 . . ?
H11C C119 H11D 108.0 . . ?
C121 C120 C122 118.8(14) . . ?
C121 C120 C119 116.3(15) . . ?
C122 C120 C119 124.9(16) . . ?
C120 C121 C123 122.0(16) . . ?
C120 C121 H121 119.0 . . ?
C123 C121 H121 119.0 . . ?
C124 C122 C120 120.9(17) . . ?
C124 C122 H122 119.5 . . ?
C120 C122 H122 119.5 . . ?
C121 C123 C125 116.8(15) . . ?
C121 C123 H123 121.6 . . ?
C125 C123 H123 121.6 . . ?
C125 C124 C122 122.3(17) . . ?
C125 C124 H124 118.8 . . ?
C122 C124 H124 118.8 . . ?
C124 C125 C123 119.1(13) . . ?
C124 C125 C126 125.1(16) . . ?
C123 C125 C126 115.4(15) . . ?
C125 C126 N13 112.7(13) . . ?
C125 C126 H12A 109.1 . . ?
N13 C126 H12A 109.1 . . ?
C125 C126 H12B 109.1 . . ?
N13 C126 H12B 109.1 . . ?
H12A C126 H12B 107.8 . . ?
N19 Pd10 N20 84.0(5) . . ?
N19 Pd10 Cl19 91.2(4) . . ?
N20 Pd10 Cl19 175.1(4) . . ?
N19 Pd10 Cl20 174.4(4) . . ?
N20 Pd10 Cl20 90.3(4) . . ?
Cl19 Pd10 Cl20 94.40(17) . . ?
N21 Pd11 N22 85.1(7) . . ?
N21 Pd11 Cl21 86.7(5) . . ?
N22 Pd11 Cl21 168.9(5) . . ?
N21 Pd11 Cl22 179.2(5) . . ?
N22 Pd11 Cl22 95.3(5) . . ?
Cl21 Pd11 Cl22 92.8(3) . . ?
N24 Pd12 N23 85.5(8) . . ?
N24 Pd12 Cl24 90.3(6) . . ?
N23 Pd12 Cl24 174.3(6) . . ?
N24 Pd12 Cl23 176.2(6) . . ?
N23 Pd12 Cl23 91.5(6) . . ?
Cl24 Pd12 Cl23 92.9(3) . . ?
C127 N19 C168 112.3(14) . . ?
C127 N19 Pd10 109.9(9) . . ?
C168 N19 Pd10 112.3(11) . . ?
C127 N19 H19N 107.3 . . ?
C168 N19 H19N 107.3 . . ?
Pd10 N19 H19N 107.3 . . ?
C132 N20 C133 115.8(14) . . ?
C132 N20 Pd10 106.1(10) . . ?
C133 N20 Pd10 110.7(10) . . ?
C132 N20 H20N 108.0 . . ?
C133 N20 H20N 108.0 . . ?
Pd10 N20 H20N 108.0 . . ?
C141 N21 C140 112.3(19) . . ?
C141 N21 Pd11 105.2(13) . . ?
C140 N21 Pd11 120.1(15) . . ?
C141 N21 H21N 106.1 . . ?
C140 N21 H21N 106.1 . . ?
Pd11 N21 H21N 106.1 . . ?
C147 N22 C146 109.4(16) . . ?
C147 N22 Pd11 122.0(13) . . ?
C146 N22 Pd11 105.4(11) . . ?
C147 N22 H22N 106.3 . . ?
C146 N22 H22N 106.3 . . ?
Pd11 N22 H22N 106.3 . . ?
C155 N23 C154 120(2) . . ?
C155 N23 Pd12 103.1(18) . . ?
C154 N23 Pd12 111.2(15) . . ?
C155 N23 H23N 107.4 . . ?
C154 N23 H23N 107.4 . . ?
Pd12 N23 H23N 107.4 . . ?
C181 N24 C161 113.6(18) . . ?
C181 N24 Pd12 106.0(15) . . ?
C161 N24 Pd12 109.7(13) . . ?
C181 N24 H24N 109.1 . . ?
C161 N24 H24N 109.1 . . ?
Pd12 N24 H24N 109.1 . . ?
C128 C127 C132 120.7(16) . . ?
C128 C127 N19 123.7(14) . . ?
C132 C127 N19 115.3(15) . . ?
C127 C128 C129 122.4(16) . . ?
C127 C128 H128 118.8 . . ?
C129 C128 H128 118.8 . . ?
C128 C129 C130 117(2) . . ?
C128 C129 H129 121.5 . . ?
C130 C129 H129 121.5 . . ?
C129 C130 C131 121.0(19) . . ?
C129 C130 H130 119.5 . . ?
C131 C130 H130 119.5 . . ?
C132 C131 C130 121.1(15) . . ?
C132 C131 H131 119.5 . . ?
C130 C131 H131 119.5 . . ?
C131 C132 C127 117.7(16) . . ?
C131 C132 N20 121.8(14) . . ?
C127 C132 N20 120.4(16) . . ?
N20 C133 C134 111.4(14) . . ?
N20 C133 H13A 109.3 . . ?
C134 C133 H13A 109.3 . . ?
N20 C133 H13B 109.3 . . ?
C134 C133 H13B 109.3 . . ?
H13A C133 H13B 108.0 . . ?
C135 C134 C136 117.8(15) . . ?
C135 C134 C133 118.0(16) . . ?
C136 C134 C133 124.2(15) . . ?
C137 C135 C134 119.3(17) . . ?
C137 C135 H135 120.3 . . ?
C134 C135 H135 120.3 . . ?
C138 C136 C134 119.9(18) . . ?
C138 C136 H136 120.1 . . ?
C134 C136 H136 120.1 . . ?
C139 C137 C135 121.3(17) . . ?
C139 C137 H137 119.3 . . ?
C135 C137 H137 119.3 . . ?
C136 C138 C139 124(2) . . ?
C136 C138 H138 118.0 . . ?
C139 C138 H138 118.0 . . ?
C137 C139 C138 117.6(17) . . ?
C137 C139 C140 120(2) . . ?
C138 C139 C140 123(2) . . ?
N21 C140 C139 113.7(17) . . ?
N21 C140 H14C 108.8 . . ?
C139 C140 H14C 108.8 . . ?
N21 C140 H14D 108.8 . . ?
C139 C140 H14D 108.8 . . ?
H14C C140 H14D 107.7 . . ?
C146 C141 N21 125(2) . . ?
C146 C141 C142 113(3) . . ?
N21 C141 C142 122(2) . . ?
C143 C142 C141 120(2) . . ?
C143 C142 H142 120.2 . . ?
C141 C142 H142 120.2 . . ?
C142 C143 C144 120(3) . . ?
C142 C143 H143 119.8 . . ?
C144 C143 H143 119.8 . . ?
C145 C144 C143 122(3) . . ?
C145 C144 H144 119.2 . . ?
C143 C144 H144 119.2 . . ?
C146 C145 C144 112(2) . . ?
C146 C145 H145 124.0 . . ?
C144 C145 H145 124.0 . . ?
C141 C146 C145 133(2) . . ?
C141 C146 N22 112(2) . . ?
C145 C146 N22 114.5(18) . . ?
N22 C147 C148 111.0(18) . . ?
N22 C147 H14E 109.4 . . ?
C148 C147 H14E 109.4 . . ?
N22 C147 H14F 109.4 . . ?
C148 C147 H14F 109.4 . . ?
H14E C147 H14F 108.0 . . ?
C150 C148 C149 120(2) . . ?
C150 C148 C147 123(2) . . ?
C149 C148 C147 118(2) . . ?
C151 C149 C148 118(2) . . ?
C151 C149 H149 121.0 . . ?
C148 C149 H149 121.0 . . ?
C148 C150 C152 126(2) . . ?
C148 C150 H150 117.0 . . ?
C152 C150 H150 117.0 . . ?
C149 C151 C153 124(2) . . ?
C149 C151 H151 117.9 . . ?
C153 C151 H151 117.9 . . ?
C150 C152 C153 116(2) . . ?
C150 C152 H152 121.9 . . ?
C153 C152 H152 121.9 . . ?
C152 C153 C154 127(2) . . ?
C152 C153 C151 116(2) . . ?
C154 C153 C151 118(2) . . ?
C153 C154 N23 116(2) . . ?
C153 C154 H15A 108.3 . . ?
N23 C154 H15A 108.3 . . ?
C153 C154 H15B 108.3 . . ?
N23 C154 H15B 108.3 . . ?
H15A C154 H15B 107.4 . . ?
C181 C155 N23 125(3) . . ?
C181 C155 C156 118(3) . . ?
N23 C155 C156 117(3) . . ?
C157 C156 C155 120(2) . . ?
C157 C156 H156 120.2 . . ?
C155 C156 H156 120.2 . . ?
C158 C157 C156 120(3) . . ?
C158 C157 H157 120.2 . . ?
C156 C157 H157 120.2 . . ?
C157 C158 C159 124(3) . . ?
C157 C158 H158 118.2 . . ?
C159 C158 H158 118.2 . . ?
C181 C159 C158 117(3) . . ?
C181 C159 H159 121.6 . . ?
C158 C159 H159 121.6 . . ?
N24 C161 C162 113.7(17) . . ?
N24 C161 H16A 108.8 . . ?
C162 C161 H16A 108.8 . . ?
N24 C161 H16B 108.8 . . ?
C162 C161 H16B 108.8 . . ?
H16A C161 H16B 107.7 . . ?
C163 C162 C164 117(2) . . ?
C163 C162 C161 121(2) . . ?
C164 C162 C161 122(2) . . ?
C165 C163 C162 121(2) . . ?
C165 C163 H163 119.3 . . ?
C162 C163 H163 119.3 . . ?
C166 C164 C162 122(2) . . ?
C166 C164 H164 118.8 . . ?
C162 C164 H164 118.8 . . ?
C163 C165 C167 122(2) . . ?
C163 C165 H165 119.0 . . ?
C167 C165 H165 119.0 . . ?
C164 C166 C167 120(2) . . ?
C164 C166 H166 119.8 . . ?
C167 C166 H166 119.8 . . ?
C165 C167 C166 116(2) . . ?
C165 C167 C168 123.7(18) . . ?
C166 C167 C168 120(2) . . ?
C167 C168 N19 114.4(13) . . ?
C167 C168 H16C 108.6 . . ?
N19 C168 H16C 108.6 . . ?
C167 C168 H16D 108.6 . . ?
N19 C168 H16D 108.6 . . ?
H16C C168 H16D 107.6 . . ?
C155 C181 C159 122(3) . . ?
C155 C181 N24 117(2) . . ?
C159 C181 N24 121(2) . . ?
C2G C1G C6G 113.5(17) . . ?
C2G C1G C7G 110.3(17) . . ?
C6G C1G C7G 85.1(14) . . ?
C2G C1G H1G 114.8 . . ?
C6G C1G H1G 114.8 . . ?
C7G C1G H1G 114.8 . . ?
C3G C2G C1G 119(2) . . ?
C3G C2G C8G 121(2) . . ?
C1G C2G C8G 120.2(19) . . ?
C2G C3G C4G 119(2) . . ?
C2G C3G H3G 120.4 . . ?
C4G C3G H3G 120.4 . . ?
C5G C4G C3G 107(2) . . ?
C5G C4G H4G1 110.4 . . ?
C3G C4G H4G1 110.4 . . ?
C5G C4G H4G2 110.4 . . ?
C3G C4G H4G2 110.4 . . ?
H4G1 C4G H4G2 108.6 . . ?
C6G C5G C4G 114.4(19) . . ?
C6G C5G C7G 84.6(15) . . ?
C4G C5G C7G 107.7(19) . . ?
C6G C5G H5G 115.4 . . ?
C4G C5G H5G 115.4 . . ?
C7G C5G H5G 115.4 . . ?
C10G C6G C5G 113.1(17) . . ?
C10G C6G C9G 107.3(16) . . ?
C5G C6G C9G 115.1(16) . . ?
C10G C6G C1G 114.8(17) . . ?
C5G C6G C1G 88.1(14) . . ?
C9G C6G C1G 117.6(16) . . ?
C1G C7G C5G 84.4(15) . . ?
C1G C7G H7G1 114.6 . . ?
C5G C7G H7G1 114.6 . . ?
C1G C7G H7G2 114.6 . . ?
C5G C7G H7G2 114.6 . . ?
H7G1 C7G H7G2 111.7 . . ?
C2G C8G H8G1 109.5 . . ?
C2G C8G H8G2 109.5 . . ?
H8G1 C8G H8G2 109.5 . . ?
C2G C8G H8G3 109.5 . . ?
H8G1 C8G H8G3 109.5 . . ?
H8G2 C8G H8G3 109.5 . . ?
C6G C9G H9G1 109.5 . . ?
C6G C9G H9G2 109.5 . . ?
H9G1 C9G H9G2 109.5 . . ?
C6G C9G H9G3 109.5 . . ?
H9G1 C9G H9G3 109.5 . . ?
H9G2 C9G H9G3 109.5 . . ?
C6G C10G H10C 109.5 . . ?
C6G C10G H10D 109.5 . . ?
H10C C10G H10D 109.5 . . ?
C6G C10G H10E 109.5 . . ?
H10C C10G H10E 109.5 . . ?
H10D C10G H10E 109.5 . . ?
C12G C11G C16G 111(2) . . ?
C12G C11G C17G 110(2) . . ?
C16G C11G C17G 85.8(17) . . ?
C12G C11G H11G 115.5 . . ?
C16G C11G H11G 115.5 . . ?
C17G C11G H11G 115.5 . . ?
C13G C12G C11G 117(3) . . ?
C13G C12G C18G 121(3) . . ?
C11G C12G C18G 120(3) . . ?
C12G C13G C14G 121(3) . . ?
C12G C13G H13G 119.5 . . ?
C14G C13G H13G 119.5 . . ?
C15G C14G C13G 107(2) . . ?
C15G C14G H14G 110.4 . . ?
C13G C14G H14G 110.4 . . ?
C15G C14G H14H 110.4 . . ?
C13G C14G H14H 110.4 . . ?
H14G C14G H14H 108.6 . . ?
C14G C15G C16G 110(2) . . ?
C14G C15G C17G 107(2) . . ?
C16G C15G C17G 85.3(18) . . ?
C14G C15G H15G 116.8 . . ?
C16G C15G H15G 116.8 . . ?
C17G C15G H15G 116.8 . . ?
C20G C16G C15G 114(2) . . ?
C20G C16G C19G 110(2) . . ?
C15G C16G C19G 111(2) . . ?
C20G C16G C11G 117(2) . . ?
C15G C16G C11G 89.1(17) . . ?
C19G C16G C11G 114.9(19) . . ?
C11G C17G C15G 86.1(18) . . ?
C11G C17G H17G 114.3 . . ?
C15G C17G H17G 114.3 . . ?
C11G C17G H17H 114.3 . . ?
C15G C17G H17H 114.3 . . ?
H17G C17G H17H 111.5 . . ?
C12G C18G H18G 109.5 . . ?
C12G C18G H18H 109.5 . . ?
H18G C18G H18H 109.5 . . ?
C12G C18G H18I 109.5 . . ?
H18G C18G H18I 109.5 . . ?
H18H C18G H18I 109.5 . . ?
C16G C19G H19G 109.5 . . ?
C16G C19G H19H 109.5 . . ?
H19G C19G H19H 109.5 . . ?
C16G C19G H19I 109.5 . . ?
H19G C19G H19I 109.5 . . ?
H19H C19G H19I 109.5 . . ?
C16G C20G H20C 109.5 . . ?
C16G C20G H20D 109.5 . . ?
H20C C20G H20D 109.5 . . ?
C16G C20G H20E 109.5 . . ?
H20C C20G H20E 109.5 . . ?
H20D C20G H20E 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
C42 N1 C1 C2 75(2) . . . . ?
Pd1 N1 C1 C2 -157.7(13) . . . . ?
C42 N1 C1 C6 -104.2(16) . . . . ?
Pd1 N1 C1 C6 22.6(18) . . . . ?
N1 C1 C2 C3 -179.4(16) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C1 C2 C3 C4 3(3) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C3 C4 C5 C6 2(3) . . . . ?
C4 C5 C6 C1 1(3) . . . . ?
C4 C5 C6 N2 -170.9(15) . . . . ?
N1 C1 C6 C5 177.7(16) . . . . ?
C2 C1 C6 C5 -2(2) . . . . ?
N1 C1 C6 N2 -10(2) . . . . ?
C2 C1 C6 N2 170.3(14) . . . . ?
C7 N2 C6 C5 -65(2) . . . . ?
Pd1 N2 C6 C5 164.5(13) . . . . ?
C7 N2 C6 C1 122.8(15) . . . . ?
Pd1 N2 C6 C1 -8.1(16) . . . . ?
C6 N2 C7 C8 -73(2) . . . . ?
Pd1 N2 C7 C8 54.0(17) . . . . ?
N2 C7 C8 C10 89(2) . . . . ?
N2 C7 C8 C9 -93.2(18) . . . . ?
C10 C8 C9 C11 -1(3) . . . . ?
C7 C8 C9 C11 -179.4(17) . . . . ?
C9 C8 C10 C12 1(3) . . . . ?
C7 C8 C10 C12 179.4(17) . . . . ?
C8 C9 C11 C13 0(3) . . . . ?
C8 C10 C12 C13 0(3) . . . . ?
C9 C11 C13 C12 1(3) . . . . ?
C9 C11 C13 C14 -179.1(16) . . . . ?
C10 C12 C13 C11 -1(3) . . . . ?
C10 C12 C13 C14 179.1(16) . . . . ?
C11 C13 C14 N3 -79(2) . . . . ?
C12 C13 C14 N3 100.8(18) . . . . ?
C15 N3 C14 C13 -66.6(18) . . . . ?
Pd2 N3 C14 C13 173.1(12) . . . . ?
C14 N3 C15 C20 -103.6(16) . . . . ?
Pd2 N3 C15 C20 17.1(18) . . . . ?
C14 N3 C15 C16 76.9(17) . . . . ?
Pd2 N3 C15 C16 -162.4(11) . . . . ?
C20 C15 C16 C17 5(2) . . . . ?
N3 C15 C16 C17 -175.0(16) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C16 C17 C18 C19 -3(3) . . . . ?
C17 C18 C19 C20 3(3) . . . . ?
N3 C15 C20 C19 174.6(15) . . . . ?
C16 C15 C20 C19 -6(2) . . . . ?
N3 C15 C20 N4 -8(2) . . . . ?
C16 C15 C20 N4 171.3(14) . . . . ?
C18 C19 C20 C15 2(3) . . . . ?
C18 C19 C20 N4 -175.3(16) . . . . ?
C21 N4 C20 C15 124.2(17) . . . . ?
Pd2 N4 C20 C15 -5.6(17) . . . . ?
C21 N4 C20 C19 -59(2) . . . . ?
Pd2 N4 C20 C19 171.6(13) . . . . ?
C20 N4 C21 C22 -79(2) . . . . ?
Pd2 N4 C21 C22 46(2) . . . . ?
N4 C21 C22 C23 -87(2) . . . . ?
N4 C21 C22 C24 92(2) . . . . ?
C24 C22 C23 C25 -1(2) . . . . ?
C21 C22 C23 C25 177.8(15) . . . . ?
C23 C22 C24 C26 0(3) . . . . ?
C21 C22 C24 C26 -179.5(17) . . . . ?
C22 C23 C25 C27 0(2) . . . . ?
C22 C24 C26 C27 3(3) . . . . ?
C23 C25 C27 C26 3(2) . . . . ?
C23 C25 C27 C28 -175.3(14) . . . . ?
C24 C26 C27 C25 -5(3) . . . . ?
C24 C26 C27 C28 173.7(16) . . . . ?
C29 N5 C28 C27 -84.3(19) . . . . ?
Pd3 N5 C28 C27 155.2(14) . . . . ?
C25 C27 C28 N5 -83(2) . . . . ?
C26 C27 C28 N5 99(2) . . . . ?
C28 N5 C29 C34 -102.5(16) . . . . ?
Pd3 N5 C29 C34 17.8(14) . . . . ?
C28 N5 C29 C30 75.1(17) . . . . ?
Pd3 N5 C29 C30 -164.5(11) . . . . ?
C34 C29 C30 C31 2(2) . . . . ?
N5 C29 C30 C31 -175.0(13) . . . . ?
C29 C30 C31 C32 0(2) . . . . ?
C30 C31 C32 C33 -1(3) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C30 C29 C34 C33 -2(2) . . . . ?
N5 C29 C34 C33 175.1(12) . . . . ?
C30 C29 C34 N6 173.3(14) . . . . ?
N5 C29 C34 N6 -9.3(18) . . . . ?
C32 C33 C34 C29 0(2) . . . . ?
C32 C33 C34 N6 -175.1(14) . . . . ?
C35 N6 C34 C29 128.4(14) . . . . ?
Pd3 N6 C34 C29 -4.5(15) . . . . ?
C35 N6 C34 C33 -56.6(18) . . . . ?
Pd3 N6 C34 C33 170.5(12) . . . . ?
C34 N6 C35 C36 -78.2(16) . . . . ?
Pd3 N6 C35 C36 51.7(16) . . . . ?
N6 C35 C36 C37 -104.0(16) . . . . ?
N6 C35 C36 C38 79.7(18) . . . . ?
C38 C36 C37 C39 -2(2) . . . . ?
C35 C36 C37 C39 -178.2(14) . . . . ?
C37 C36 C38 C40 8(2) . . . . ?
C35 C36 C38 C40 -175.9(15) . . . . ?
C36 C37 C39 C41 -6(3) . . . . ?
C36 C38 C40 C41 -7(3) . . . . ?
C37 C39 C41 C40 6(3) . . . . ?
C37 C39 C41 C42 177.5(16) . . . . ?
C38 C40 C41 C39 0(3) . . . . ?
C38 C40 C41 C42 -170.4(16) . . . . ?
C39 C41 C42 N1 -80(2) . . . . ?
C40 C41 C42 N1 90(2) . . . . ?
C1 N1 C42 C41 -65(2) . . . . ?
Pd1 N1 C42 C41 171.7(12) . . . . ?
C84 N7 C43 C48 -118.6(18) . . . . ?
Pd4 N7 C43 C48 8(2) . . . . ?
C84 N7 C43 C44 64(2) . . . . ?
Pd4 N7 C43 C44 -168.5(16) . . . . ?
C48 C43 C44 C45 -3(3) . . . . ?
N7 C43 C44 C45 174.3(18) . . . . ?
C43 C44 C45 C46 2(3) . . . . ?
C44 C45 C46 C47 -2(3) . . . . ?
C45 C46 C47 C48 3(3) . . . . ?
C44 C43 C48 C47 3(3) . . . . ?
N7 C43 C48 C47 -174.0(17) . . . . ?
C44 C43 C48 N8 -176.7(17) . . . . ?
N7 C43 C48 N8 6(3) . . . . ?
C46 C47 C48 C43 -3(3) . . . . ?
C46 C47 C48 N8 176.5(18) . . . . ?
C49 N8 C48 C43 105.3(18) . . . . ?
Pd4 N8 C48 C43 -17(2) . . . . ?
C49 N8 C48 C47 -75(2) . . . . ?
Pd4 N8 C48 C47 162.8(15) . . . . ?
C48 N8 C49 C50 66.3(18) . . . . ?
Pd4 N8 C49 C50 -173.0(12) . . . . ?
N8 C49 C50 C51 76(2) . . . . ?
N8 C49 C50 C52 -95(2) . . . . ?
C52 C50 C51 C53 -3(3) . . . . ?
C49 C50 C51 C53 -174.1(18) . . . . ?
C51 C50 C52 C54 4(3) . . . . ?
C49 C50 C52 C54 173.9(18) . . . . ?
C50 C51 C53 C55 0(3) . . . . ?
C50 C52 C54 C55 0(3) . . . . ?
C51 C53 C55 C54 4(3) . . . . ?
C51 C53 C55 C56 179.6(18) . . . . ?
C52 C54 C55 C53 -3(3) . . . . ?
C52 C54 C55 C56 -179.0(18) . . . . ?
C57 N9 C56 C55 -64(2) . . . . ?
Pd5 N9 C56 C55 67(2) . . . . ?
C53 C55 C56 N9 91(3) . . . . ?
C54 C55 C56 N9 -94(3) . . . . ?
C56 N9 C57 C62 118.1(19) . . . . ?
Pd5 N9 C57 C62 -20.8(19) . . . . ?
C56 N9 C57 C58 -65(2) . . . . ?
Pd5 N9 C57 C58 156.5(16) . . . . ?
C62 C57 C58 C59 0(3) . . . . ?
N9 C57 C58 C59 -177(2) . . . . ?
C57 C58 C59 C60 1(4) . . . . ?
C58 C59 C60 C61 -4(3) . . . . ?
C59 C60 C61 C62 4(3) . . . . ?
N9 C57 C62 C61 178.3(16) . . . . ?
C58 C57 C62 C61 1(3) . . . . ?
N9 C57 C62 N10 2(2) . . . . ?
C58 C57 C62 N10 -175.8(14) . . . . ?
C60 C61 C62 C57 -3(3) . . . . ?
C60 C61 C62 N10 173.8(16) . . . . ?
C63 N10 C62 C57 -111.1(19) . . . . ?
Pd5 N10 C62 C57 17.0(16) . . . . ?
C63 N10 C62 C61 71.8(18) . . . . ?
Pd5 N10 C62 C61 -160.1(11) . . . . ?
C62 N10 C63 C64 -171.5(18) . . . . ?
Pd5 N10 C63 C64 73(2) . . . . ?
N10 C63 C64 C65 76(3) . . . . ?
N10 C63 C64 C66 -101(3) . . . . ?
C66 C64 C65 C67 -3(4) . . . . ?
C63 C64 C65 C67 180(2) . . . . ?
C65 C64 C66 C68 6(4) . . . . ?
C63 C64 C66 C68 -178(2) . . . . ?
C64 C65 C67 C69 1(4) . . . . ?
C64 C66 C68 C69 -5(4) . . . . ?
C66 C68 C69 C67 3(4) . . . . ?
C66 C68 C69 C70 -179(3) . . . . ?
C65 C67 C69 C68 -1(4) . . . . ?
C65 C67 C69 C70 -179(2) . . . . ?
C71 N11 C70 C69 78(3) . . . . ?
Pd6 N11 C70 C69 -48(3) . . . . ?
C68 C69 C70 N11 -88(3) . . . . ?
C67 C69 C70 N11 90(3) . . . . ?
C70 N11 C71 C76 -118(3) . . . . ?
Pd6 N11 C71 C76 10(2) . . . . ?
C70 N11 C71 C72 63(3) . . . . ?
Pd6 N11 C71 C72 -169.7(19) . . . . ?
C76 C71 C72 C73 -10(4) . . . . ?
N11 C71 C72 C73 170(3) . . . . ?
C71 C72 C73 C74 9(5) . . . . ?
C72 C73 C74 C75 -5(5) . . . . ?
C73 C74 C75 C76 1(4) . . . . ?
C72 C71 C76 C75 6(4) . . . . ?
N11 C71 C76 C75 -173(2) . . . . ?
C72 C71 C76 N12 -178(2) . . . . ?
N11 C71 C76 N12 3(3) . . . . ?
C74 C75 C76 C71 -2(4) . . . . ?
C74 C75 C76 N12 -177(2) . . . . ?
C77 N12 C76 C71 108(2) . . . . ?
Pd6 N12 C76 C71 -14(2) . . . . ?
C77 N12 C76 C75 -76(3) . . . . ?
Pd6 N12 C76 C75 161.9(19) . . . . ?
C76 N12 C77 C78 56(3) . . . . ?
Pd6 N12 C77 C78 177.7(19) . . . . ?
N12 C77 C78 C80 -93(3) . . . . ?
N12 C77 C78 C79 89(3) . . . . ?
C80 C78 C79 C81 2(3) . . . . ?
C77 C78 C79 C81 -180.0(17) . . . . ?
C79 C78 C80 C82 -3(3) . . . . ?
C77 C78 C80 C82 178.6(18) . . . . ?
C78 C79 C81 C83 1(3) . . . . ?
C78 C80 C82 C83 2(3) . . . . ?
C80 C82 C83 C84 179.1(16) . . . . ?
C80 C82 C83 C81 1(3) . . . . ?
C79 C81 C83 C82 -2(2) . . . . ?
C79 C81 C83 C84 179.2(16) . . . . ?
C82 C83 C84 N7 -88(2) . . . . ?
C81 C83 C84 N7 90.1(19) . . . . ?
C43 N7 C84 C83 73(2) . . . . ?
Pd4 N7 C84 C83 -51.9(19) . . . . ?
C126 N13 C85 C90 105.9(17) . . . . ?
Pd7 N13 C85 C90 -18.7(19) . . . . ?
C126 N13 C85 C86 -75.8(19) . . . . ?
Pd7 N13 C85 C86 159.6(13) . . . . ?
C90 C85 C86 C87 -4(3) . . . . ?
N13 C85 C86 C87 177.9(15) . . . . ?
C85 C86 C87 C88 -1(3) . . . . ?
C86 C87 C88 C89 5(3) . . . . ?
C87 C88 C89 C90 -3(3) . . . . ?
C86 C85 C90 C89 5(3) . . . . ?
N13 C85 C90 C89 -176.5(16) . . . . ?
C86 C85 C90 N14 -171.4(15) . . . . ?
N13 C85 C90 N14 7(2) . . . . ?
C88 C89 C90 C85 -2(3) . . . . ?
C88 C89 C90 N14 175.0(16) . . . . ?
C91 N14 C90 C85 -122.4(18) . . . . ?
Pd7 N14 C90 C85 8.8(18) . . . . ?
C91 N14 C90 C89 61(2) . . . . ?
Pd7 N14 C90 C89 -167.9(13) . . . . ?
C90 N14 C91 C92 70.4(19) . . . . ?
Pd7 N14 C91 C92 -56.4(16) . . . . ?
N14 C91 C92 C93 92(2) . . . . ?
N14 C91 C92 C94 -87(2) . . . . ?
C94 C92 C93 C95 -4(3) . . . . ?
C91 C92 C93 C95 176.8(16) . . . . ?
C93 C92 C94 C96 3(3) . . . . ?
C91 C92 C94 C96 -178.0(17) . . . . ?
C92 C93 C95 C97 6(3) . . . . ?
C92 C94 C96 C97 -4(3) . . . . ?
C94 C96 C97 C95 6(3) . . . . ?
C94 C96 C97 C98 179.2(16) . . . . ?
C93 C95 C97 C96 -7(3) . . . . ?
C93 C95 C97 C98 179.5(17) . . . . ?
C99 N15 C98 C97 66(2) . . . . ?
Pd8 N15 C98 C97 -171.2(14) . . . . ?
C96 C97 C98 N15 -100(2) . . . . ?
C95 C97 C98 N15 74(2) . . . . ?
C98 N15 C99 C104 105.4(18) . . . . ?
Pd8 N15 C99 C104 -16.2(19) . . . . ?
C98 N15 C99 C100 -74(2) . . . . ?
Pd8 N15 C99 C100 164.4(14) . . . . ?
C104 C99 C100 C101 -2(3) . . . . ?
N15 C99 C100 C101 177.6(19) . . . . ?
C99 C100 C101 C102 -2(4) . . . . ?
C100 C101 C102 C103 5(4) . . . . ?
C101 C102 C103 C104 -5(3) . . . . ?
C100 C99 C104 C103 2(3) . . . . ?
N15 C99 C104 C103 -177.2(16) . . . . ?
C100 C99 C104 N16 -172.0(17) . . . . ?
N15 C99 C104 N16 9(2) . . . . ?
C102 C103 C104 C99 1(3) . . . . ?
C102 C103 C104 N16 176(2) . . . . ?
C105 N16 C104 C99 -126.7(18) . . . . ?
Pd8 N16 C104 C99 3(2) . . . . ?
C105 N16 C104 C103 59(2) . . . . ?
Pd8 N16 C104 C103 -170.9(14) . . . . ?
C104 N16 C105 C106 81(2) . . . . ?
Pd8 N16 C105 C106 -44.8(19) . . . . ?
N16 C105 C106 C108 -87(2) . . . . ?
N16 C105 C106 C107 87.8(19) . . . . ?
C108 C106 C107 C109 -2(2) . . . . ?
C105 C106 C107 C109 -176.7(15) . . . . ?
C107 C106 C108 C110 1(3) . . . . ?
C105 C106 C108 C110 176.2(16) . . . . ?
C106 C107 C109 C111 5(3) . . . . ?
C106 C108 C110 C111 -4(3) . . . . ?
C107 C109 C111 C110 -8(2) . . . . ?
C107 C109 C111 C112 173.7(15) . . . . ?
C108 C110 C111 C109 7(2) . . . . ?
C108 C110 C111 C112 -174.5(15) . . . . ?
C113 N17 C112 C111 79.4(19) . . . . ?
Pd9 N17 C112 C111 -162.8(14) . . . . ?
C109 C111 C112 N17 78(2) . . . . ?
C110 C111 C112 N17 -101(2) . . . . ?
C112 N17 C113 C118 107.2(14) . . . . ?
Pd9 N17 C113 C118 -11.0(13) . . . . ?
C112 N17 C113 C114 -76.0(16) . . . . ?
Pd9 N17 C113 C114 165.9(11) . . . . ?
C118 C113 C114 C115 -3(3) . . . . ?
N17 C113 C114 C115 -179.4(12) . . . . ?
C113 C114 C115 C116 -1(3) . . . . ?
C114 C115 C116 C117 2(3) . . . . ?
C115 C116 C117 C118 2(3) . . . . ?
C114 C113 C118 C117 7(2) . . . . ?
N17 C113 C118 C117 -177.2(11) . . . . ?
C114 C113 C118 N18 -172.8(15) . . . . ?
N17 C113 C118 N18 3.4(18) . . . . ?
C116 C117 C118 C113 -5(2) . . . . ?
C116 C117 C118 N18 174.2(14) . . . . ?
C119 N18 C118 C113 -126.7(15) . . . . ?
Pd9 N18 C118 C113 6.0(16) . . . . ?
C119 N18 C118 C117 54.0(18) . . . . ?
Pd9 N18 C118 C117 -173.3(11) . . . . ?
C118 N18 C119 C120 76.2(19) . . . . ?
Pd9 N18 C119 C120 -53.1(19) . . . . ?
N18 C119 C120 C121 109.4(18) . . . . ?
N18 C119 C120 C122 -71(2) . . . . ?
C122 C120 C121 C123 2(2) . . . . ?
C119 C120 C121 C123 -178.0(16) . . . . ?
C121 C120 C122 C124 -1(3) . . . . ?
C119 C120 C122 C124 179.2(16) . . . . ?
C120 C121 C123 C125 -1(2) . . . . ?
C120 C122 C124 C125 -2(3) . . . . ?
C122 C124 C125 C123 4(2) . . . . ?
C122 C124 C125 C126 175.7(16) . . . . ?
C121 C123 C125 C124 -2(2) . . . . ?
C121 C123 C125 C126 -175.1(15) . . . . ?
C124 C125 C126 N13 -92(2) . . . . ?
C123 C125 C126 N13 80(2) . . . . ?
C85 N13 C126 C125 65.6(19) . . . . ?
Pd7 N13 C126 C125 -173.8(13) . . . . ?
C168 N19 C127 C128 -67(2) . . . . ?
Pd10 N19 C127 C128 167.2(17) . . . . ?
C168 N19 C127 C132 118.5(18) . . . . ?
Pd10 N19 C127 C132 -7(2) . . . . ?
C132 C127 C128 C129 0(3) . . . . ?
N19 C127 C128 C129 -174.3(19) . . . . ?
C127 C128 C129 C130 0(3) . . . . ?
C128 C129 C130 C131 1(3) . . . . ?
C129 C130 C131 C132 -3(3) . . . . ?
C130 C131 C132 C127 2(3) . . . . ?
C130 C131 C132 N20 -174.6(17) . . . . ?
C128 C127 C132 C131 -1(3) . . . . ?
N19 C127 C132 C131 173.6(16) . . . . ?
C128 C127 C132 N20 176.0(18) . . . . ?
N19 C127 C132 N20 -9(3) . . . . ?
C133 N20 C132 C131 74(2) . . . . ?
Pd10 N20 C132 C131 -162.8(14) . . . . ?
C133 N20 C132 C127 -103.0(19) . . . . ?
Pd10 N20 C132 C127 20.3(19) . . . . ?
C132 N20 C133 C134 -68.4(17) . . . . ?
Pd10 N20 C133 C134 170.8(11) . . . . ?
N20 C133 C134 C135 -83(2) . . . . ?
N20 C133 C134 C136 97(2) . . . . ?
C136 C134 C135 C137 -4(3) . . . . ?
C133 C134 C135 C137 176.3(17) . . . . ?
C135 C134 C136 C138 3(3) . . . . ?
C133 C134 C136 C138 -176.9(18) . . . . ?
C134 C135 C137 C139 1(3) . . . . ?
C134 C136 C138 C139 0(3) . . . . ?
C135 C137 C139 C138 2(3) . . . . ?
C135 C137 C139 C140 179.9(18) . . . . ?
C136 C138 C139 C137 -3(3) . . . . ?
C136 C138 C139 C140 179.5(19) . . . . ?
C141 N21 C140 C139 57(3) . . . . ?
Pd11 N21 C140 C139 -67(3) . . . . ?
C137 C139 C140 N21 -87(3) . . . . ?
C138 C139 C140 N21 91(3) . . . . ?
C140 N21 C141 C146 -111(2) . . . . ?
Pd11 N21 C141 C146 21(2) . . . . ?
C140 N21 C141 C142 65(2) . . . . ?
Pd11 N21 C141 C142 -162.6(15) . . . . ?
C146 C141 C142 C143 -6(3) . . . . ?
N21 C141 C142 C143 177.6(19) . . . . ?
C141 C142 C143 C144 2(3) . . . . ?
C142 C143 C144 C145 3(3) . . . . ?
C143 C144 C145 C146 -4(3) . . . . ?
N21 C141 C146 C145 -179(2) . . . . ?
C142 C141 C146 C145 5(3) . . . . ?
N21 C141 C146 N22 -2(3) . . . . ?
C142 C141 C146 N22 -179.0(14) . . . . ?
C144 C145 C146 C141 0(3) . . . . ?
C144 C145 C146 N22 -176.2(16) . . . . ?
C147 N22 C146 C141 115.6(18) . . . . ?
Pd11 N22 C146 C141 -17.3(16) . . . . ?
C147 N22 C146 C145 -67(2) . . . . ?
Pd11 N22 C146 C145 159.8(14) . . . . ?
C146 N22 C147 C148 168.4(17) . . . . ?
Pd11 N22 C147 C148 -68(2) . . . . ?
N22 C147 C148 C150 101(2) . . . . ?
N22 C147 C148 C149 -79(2) . . . . ?
C150 C148 C149 C151 1(3) . . . . ?
C147 C148 C149 C151 180(2) . . . . ?
C149 C148 C150 C152 1(4) . . . . ?
C147 C148 C150 C152 -179(2) . . . . ?
C148 C149 C151 C153 1(4) . . . . ?
C148 C150 C152 C153 -3(4) . . . . ?
C150 C152 C153 C154 -173(2) . . . . ?
C150 C152 C153 C151 5(3) . . . . ?
C149 C151 C153 C152 -4(4) . . . . ?
C149 C151 C153 C154 174(2) . . . . ?
C152 C153 C154 N23 86(3) . . . . ?
C151 C153 C154 N23 -92(3) . . . . ?
C155 N23 C154 C153 -70(3) . . . . ?
Pd12 N23 C154 C153 51(3) . . . . ?
C154 N23 C155 C181 116(3) . . . . ?
Pd12 N23 C155 C181 -8(3) . . . . ?
C154 N23 C155 C156 -70(3) . . . . ?
Pd12 N23 C155 C156 165.6(17) . . . . ?
C181 C155 C156 C157 2(4) . . . . ?
N23 C155 C156 C157 -172(2) . . . . ?
C155 C156 C157 C158 -3(4) . . . . ?
C156 C157 C158 C159 5(4) . . . . ?
C157 C158 C159 C181 -6(4) . . . . ?
C181 N24 C161 C162 -62(3) . . . . ?
Pd12 N24 C161 C162 179.4(16) . . . . ?
N24 C161 C162 C163 -89(3) . . . . ?
N24 C161 C162 C164 91(2) . . . . ?
C164 C162 C163 C165 1(3) . . . . ?
C161 C162 C163 C165 -178.4(18) . . . . ?
C163 C162 C164 C166 2(3) . . . . ?
C161 C162 C164 C166 -178.3(18) . . . . ?
C162 C163 C165 C167 -4(3) . . . . ?
C162 C164 C166 C167 -2(3) . . . . ?
C163 C165 C167 C166 4(3) . . . . ?
C163 C165 C167 C168 -175.8(17) . . . . ?
C164 C166 C167 C165 -1(3) . . . . ?
C164 C166 C167 C168 179.1(17) . . . . ?
C165 C167 C168 N19 -92(2) . . . . ?
C166 C167 C168 N19 88.1(19) . . . . ?
C127 N19 C168 C167 -71.2(19) . . . . ?
Pd10 N19 C168 C167 53.2(18) . . . . ?
N23 C155 C181 C159 170(2) . . . . ?
C156 C155 C181 C159 -3(3) . . . . ?
N23 C155 C181 N24 -5(3) . . . . ?
C156 C155 C181 N24 -179.2(19) . . . . ?
C158 C159 C181 C155 5(3) . . . . ?
C158 C159 C181 N24 -179.3(19) . . . . ?
C161 N24 C181 C155 -104(2) . . . . ?
Pd12 N24 C181 C155 16(2) . . . . ?
C161 N24 C181 C159 80(3) . . . . ?
Pd12 N24 C181 C159 -159.6(17) . . . . ?
C6G C1G C2G C3G -46(3) . . . . ?
C7G C1G C2G C3G 47(3) . . . . ?
C6G C1G C2G C8G 135(2) . . . . ?
C7G C1G C2G C8G -132(2) . . . . ?
C1G C2G C3G C4G 1(4) . . . . ?
C8G C2G C3G C4G -180(2) . . . . ?
C2G C3G C4G C5G 1(3) . . . . ?
C3G C4G C5G C6G 44(3) . . . . ?
C3G C4G C5G C7G -48(2) . . . . ?
C4G C5G C6G C10G 168(2) . . . . ?
C7G C5G C6G C10G -85.2(19) . . . . ?
C4G C5G C6G C9G 44(3) . . . . ?
C7G C5G C6G C9G 150.8(17) . . . . ?
C4G C5G C6G C1G -76(2) . . . . ?
C7G C5G C6G C1G 31.0(14) . . . . ?
C2G C1G C6G C10G -167.5(19) . . . . ?
C7G C1G C6G C10G 82.4(19) . . . . ?
C2G C1G C6G C5G 77.8(19) . . . . ?
C7G C1G C6G C5G -32.2(14) . . . . ?
C2G C1G C6G C9G -40(2) . . . . ?
C7G C1G C6G C9G -149.8(17) . . . . ?
C2G C1G C7G C5G -83.1(18) . . . . ?
C6G C1G C7G C5G 30.1(13) . . . . ?
C6G C5G C7G C1G -31.1(14) . . . . ?
C4G C5G C7G C1G 82.8(19) . . . . ?
C16G C11G C12G C13G -48(5) . . . . ?
C17G C11G C12G C13G 46(5) . . . . ?
C16G C11G C12G C18G 121(4) . . . . ?
C17G C11G C12G C18G -146(4) . . . . ?
C11G C12G C13G C14G 2(7) . . . . ?
C18G C12G C13G C14G -166(4) . . . . ?
C12G C13G C14G C15G -1(6) . . . . ?
C13G C14G C15G C16G 44(4) . . . . ?
C13G C14G C15G C17G -47(4) . . . . ?
C14G C15G C16G C20G 163(3) . . . . ?
C17G C15G C16G C20G -91(2) . . . . ?
C14G C15G C16G C19G 38(3) . . . . ?
C17G C15G C16G C19G 144(2) . . . . ?
C14G C15G C16G C11G -79(3) . . . . ?
C17G C15G C16G C11G 27.4(19) . . . . ?
C12G C11G C16G C20G -162(2) . . . . ?
C17G C11G C16G C20G 88(3) . . . . ?
C12G C11G C16G C15G 82(2) . . . . ?
C17G C11G C16G C15G -28.2(19) . . . . ?
C12G C11G C16G C19G -31(3) . . . . ?
C17G C11G C16G C19G -141(2) . . . . ?
C12G C11G C17G C15G -84(2) . . . . ?
C16G C11G C17G C15G 26.8(18) . . . . ?
C14G C15G C17G C11G 82(2) . . . . ?
C16G C15G C17G C11G -27.4(19) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl14 . . . 3.230(14) 1.000 2.270 160.6 no
N2 H2N Cl20 . . . 3.229(13) 1.000 2.342 147.3 no
N3 H3N Cl15 . . 1_556 3.198(13) 1.000 2.301 148.6 no
N4 H4N O6W . . 1_556 2.86(2) 1.000 1.950 150.5 no
N6 H6N Cl2 . . 1_455 3.152(11) 1.000 2.230 152.6 no
N10 H10N Cl23 . . 2_756 3.117(17) 1.000 2.387 129.2 no
N11 H11N Cl22 . . 2_656 3.179(19) 1.000 2.180 177.7 no
N12 H12N O2W . . 2_656 2.89(3) 1.000 1.892 172.0 no
N13 H13N Cl2 . . . 3.214(14) 1.000 2.252 161.0 no
N14 H14N Cl8 . . . 3.209(14) 1.000 2.347 143.9 no
N15 H15N Cl3 . . 1_554 3.185(13) 1.000 2.295 147.6 no
N16 H16N O4W . . 1_554 2.84(2) 1.000 1.930 149.5 no
N18 H18N Cl14 . . 1_655 3.132(12) 1.000 2.203 153.9 no
N22 H22N Cl11 . . 2_646 3.087(15) 1.000 2.367 128.2 no
N23 H23N Cl10 . . 2_746 3.20(2) 1.000 2.204 174.8 no
N24 H24N O1W . . 1_655 2.80(3) 1.000 1.805 173.6 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# 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_HAP@MMF
_database_code_depnum_ccdc_archive 'CCDC 1974243'
loop_
_audit_author_name
_audit_author_address
'Shohei Tashiro'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C95.93 H98.19 Cl12 N15 O2.74 Pd6'
_chemical_formula_moiety         
'2(C42 H42 Cl6 N6 Pd3), 0.752(C8 H7 O2), 3(C2 H3 N), 1.236(O)'
_chemical_formula_weight         2568.96
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   19.5269(16)
_cell_length_b                   51.758(4)
_cell_length_c                   14.2813(12)
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.0232(10)
_cell_angle_gamma                90.0000
_cell_volume                     14431(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23294
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.32
_cell_measurement_temperature    94
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5122.76
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.064
_exptl_absorpt_correction_T_max  0.952

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      94
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            93644
_diffrn_reflns_av_R_equivalents  0.1189
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.996
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_k_max       61
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             25302
_reflns_number_gt                12006
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1962
_refine_ls_R_factor_gt           0.1187
_refine_ls_wR_factor_ref         0.3931
_refine_ls_wR_factor_gt          0.3220
_refine_ls_number_restraints     138
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         25302
_refine_ls_number_parameters     1130
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.038
_refine_diff_density_max         1.60
_refine_diff_density_min         -1.85
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.91897(5) 0.48769(2) -0.01419(5) 0.0637(3) Uani 1 1 d . . . . .
Pd2 Pd 0.47132(5) 0.48543(2) 0.17251(6) 0.0674(3) Uani 1 1 d . . . . .
Pd3 Pd 0.79239(6) 0.51966(2) 0.59712(6) 0.0757(3) Uani 1 1 d . . . . .
Cl1 Cl 0.91865(17) 0.53185(6) 0.01192(18) 0.0702(8) Uani 1 1 d . . . . .
Cl2 Cl 0.92511(17) 0.49166(6) -0.17501(17) 0.0716(8) Uani 1 1 d . . . . .
Cl3 Cl 0.49987(18) 0.52537(6) 0.1131(2) 0.0740(9) Uani 1 1 d . . . . .
Cl4 Cl 0.37932(18) 0.50214(7) 0.2517(2) 0.0773(9) Uani 1 1 d . . . . .
Cl5 Cl 0.7172(2) 0.55265(7) 0.5672(2) 0.0870(10) Uani 1 1 d . . . . .
Cl6 Cl 0.8792(2) 0.54799(8) 0.6286(2) 0.0946(11) Uani 1 1 d . . . . .
N1 N 0.9273(5) 0.48089(19) 0.1256(6) 0.065(3) Uani 1 1 d . . . . .
H1N H 0.964572 0.492155 0.151769 0.078 Uiso 1 1 calc R U . . .
N2 N 0.9125(5) 0.44850(19) -0.0267(6) 0.070(3) Uani 1 1 d . . . . .
H2N H 0.947971 0.443724 -0.073319 0.084 Uiso 1 1 calc R U . . .
N3 N 0.5493(6) 0.4688(2) 0.1031(7) 0.076(3) Uani 1 1 d . . . . .
H3N H 0.547592 0.475398 0.037212 0.091 Uiso 1 1 calc R U . . .
N4 N 0.4530(6) 0.44794(19) 0.2184(6) 0.069(3) Uani 1 1 d . . . . .
H4N H 0.404426 0.444076 0.200004 0.083 Uiso 1 1 calc R U . . .
N5 N 0.7197(5) 0.4929(2) 0.5659(6) 0.068(3) Uani 1 1 d . . . . .
H5N H 0.675940 0.498226 0.595522 0.082 Uiso 1 1 calc R U . . .
N6 N 0.8514(6) 0.4893(2) 0.6302(6) 0.079(3) Uani 1 1 d . . . . .
H6N H 0.866752 0.492434 0.696382 0.095 Uiso 1 1 calc R U . . .
C1 C 0.9479(7) 0.4544(3) 0.1374(8) 0.073(3) Uani 1 1 d . . . . .
C2 C 0.9773(7) 0.4452(3) 0.2198(7) 0.073(4) Uani 1 1 d . . . . .
H2A H 0.985357 0.456829 0.270223 0.087 Uiso 1 1 calc R U . . .
C3 C 0.9944(7) 0.4209(3) 0.2299(8) 0.077(4) Uani 1 1 d . . . . .
H3A H 1.016487 0.415443 0.286426 0.093 Uiso 1 1 calc R U . . .
C4 C 0.9806(8) 0.4023(3) 0.1581(10) 0.092(4) Uani 1 1 d . . . . .
H4A H 0.989649 0.384447 0.167294 0.111 Uiso 1 1 calc R U . . .
C5 C 0.9528(7) 0.4118(3) 0.0720(8) 0.076(4) Uani 1 1 d . . . . .
H5A H 0.945244 0.400513 0.020443 0.091 Uiso 1 1 calc R U . . .
C6 C 0.9374(6) 0.4369(2) 0.0649(7) 0.063(3) Uani 1 1 d . . . . .
C7 C 0.8477(6) 0.4380(2) -0.0651(7) 0.064(3) Uani 1 1 d . . . . .
H7A H 0.849675 0.418893 -0.064543 0.077 Uiso 1 1 calc R U . . .
H7B H 0.841562 0.443697 -0.130907 0.077 Uiso 1 1 calc R U . . .
C8 C 0.7884(7) 0.4468(2) -0.0098(7) 0.067(3) Uani 1 1 d . . . . .
C9 C 0.7497(7) 0.4675(3) -0.0388(8) 0.074(4) Uani 1 1 d . . . . .
H9A H 0.760515 0.475085 -0.097214 0.088 Uiso 1 1 calc R U . . .
C10 C 0.7679(7) 0.4351(3) 0.0746(8) 0.073(3) Uani 1 1 d . . . . .
H10A H 0.791790 0.420412 0.097590 0.087 Uiso 1 1 calc R U . . .
C11 C 0.6975(8) 0.4779(3) 0.0089(8) 0.079(4) Uani 1 1 d . . . . .
H11A H 0.674090 0.492722 -0.014208 0.095 Uiso 1 1 calc R U . . .
C12 C 0.7137(7) 0.4448(3) 0.1240(8) 0.071(3) Uani 1 1 d . . . . .
H12A H 0.700114 0.436580 0.180192 0.085 Uiso 1 1 calc R U . . .
C13 C 0.6789(7) 0.4665(3) 0.0922(8) 0.074(4) Uani 1 1 d . . . . .
C14 C 0.6159(7) 0.4769(3) 0.1455(8) 0.070(3) Uani 1 1 d . . . . .
H14A H 0.618423 0.470728 0.211018 0.084 Uiso 1 1 calc R U . . .
H14B H 0.617833 0.496034 0.146783 0.084 Uiso 1 1 calc R U . . .
C15 C 0.5371(8) 0.4409(2) 0.0998(8) 0.071(3) Uani 1 1 d . . . . .
C16 C 0.5737(7) 0.4256(3) 0.0367(9) 0.081(4) Uani 1 1 d . . . . .
H16 H 0.602746 0.432782 -0.009174 0.098 Uiso 1 1 calc R U . . .
C17 C 0.5637(11) 0.3983(3) 0.0469(13) 0.114(6) Uani 1 1 d . . . . .
H17 H 0.586944 0.386793 0.006516 0.137 Uiso 1 1 calc R U . . .
C18 C 0.5215(9) 0.3885(3) 0.1133(12) 0.092(4) Uani 1 1 d . . . . .
H18 H 0.518336 0.370304 0.120269 0.110 Uiso 1 1 calc R U . . .
C19 C 0.4841(8) 0.4038(3) 0.1694(10) 0.088(4) Uani 1 1 d . . . . .
H19 H 0.451799 0.396850 0.211421 0.106 Uiso 1 1 calc R U . . .
C20 C 0.4951(7) 0.4304(3) 0.1628(10) 0.077(4) Uani 1 1 d . . . . .
C21 C 0.4576(7) 0.4438(3) 0.3200(8) 0.079(4) Uani 1 1 d . . . . .
H21A H 0.457014 0.425071 0.333209 0.095 Uiso 1 1 calc R U . . .
H21B H 0.417209 0.451684 0.349738 0.095 Uiso 1 1 calc R U . . .
C22 C 0.5231(7) 0.4557(3) 0.3628(9) 0.080(4) Uani 1 1 d . . . . .
C23 C 0.5242(7) 0.4813(3) 0.3940(8) 0.071(3) Uani 1 1 d . . . . .
H23 H 0.483130 0.491162 0.393836 0.085 Uiso 1 1 calc R U . . .
C24 C 0.5849(7) 0.4414(3) 0.3651(8) 0.075(4) Uani 1 1 d . . . . .
H24 H 0.584785 0.423914 0.344999 0.091 Uiso 1 1 calc R U . . .
C25 C 0.5847(7) 0.4922(3) 0.4251(8) 0.080(4) Uani 1 1 d . . . . .
H25 H 0.585009 0.509564 0.446215 0.096 Uiso 1 1 calc R U . . .
C26 C 0.6478(8) 0.4531(3) 0.3974(8) 0.078(4) Uani 1 1 d . . . . .
H26 H 0.689560 0.443645 0.398794 0.094 Uiso 1 1 calc R U . . .
C27 C 0.6451(7) 0.4782(3) 0.4260(8) 0.074(4) Uani 1 1 d . . . . .
C28 C 0.7084(7) 0.4919(3) 0.4611(7) 0.073(3) Uani 1 1 d . . . . .
H28A H 0.706838 0.509872 0.437378 0.087 Uiso 1 1 calc R U . . .
H28B H 0.748632 0.483441 0.433132 0.087 Uiso 1 1 calc R U . . .
C29 C 0.7429(5) 0.4672(2) 0.6094(6) 0.050(3) Uani 1 1 d . . . . .
C30 C 0.6966(9) 0.4477(3) 0.6144(8) 0.089(4) Uani 1 1 d . . . . .
H30 H 0.650745 0.449492 0.591802 0.106 Uiso 1 1 calc R U . . .
C31 C 0.7217(9) 0.4241(3) 0.6564(11) 0.098(5) Uani 1 1 d . . . . .
H31 H 0.691783 0.409832 0.665261 0.117 Uiso 1 1 calc R U . . .
C32 C 0.7891(9) 0.4225(3) 0.6830(9) 0.084(4) Uani 1 1 d . . . . .
H32 H 0.805455 0.406898 0.710670 0.101 Uiso 1 1 calc R U . . .
C33 C 0.8319(8) 0.4416(3) 0.6719(8) 0.090(5) Uani 1 1 d . . . . .
H33 H 0.878815 0.439282 0.688583 0.108 Uiso 1 1 calc R U . . .
C34 C 0.8089(8) 0.4667(3) 0.6340(8) 0.080(4) Uani 1 1 d . . . . .
C35 C 0.9173(7) 0.4852(3) 0.5762(7) 0.077(4) Uani 1 1 d . . . . .
H35A H 0.938128 0.468389 0.593622 0.092 Uiso 1 1 calc R U . . .
H35B H 0.950593 0.499049 0.591666 0.092 Uiso 1 1 calc R U . . .
C36 C 0.8995(7) 0.4856(3) 0.4702(8) 0.069(3) Uani 1 1 d . . . . .
C37 C 0.9113(7) 0.5079(3) 0.4218(8) 0.073(3) Uani 1 1 d . . . . .
H37 H 0.928769 0.522727 0.453345 0.087 Uiso 1 1 calc R U . . .
C38 C 0.8716(7) 0.4636(3) 0.4241(8) 0.076(4) Uani 1 1 d . . . . .
H38 H 0.862643 0.448069 0.457386 0.091 Uiso 1 1 calc R U . . .
C39 C 0.8976(7) 0.5087(2) 0.3260(7) 0.071(3) Uani 1 1 d . . . . .
H39 H 0.906975 0.523959 0.291388 0.085 Uiso 1 1 calc R U . . .
C40 C 0.8581(8) 0.4656(3) 0.3290(8) 0.082(4) Uani 1 1 d . . . . .
H40 H 0.839794 0.450982 0.296795 0.098 Uiso 1 1 calc R U . . .
C41 C 0.8698(6) 0.4870(3) 0.2806(7) 0.067(3) Uani 1 1 d . . . . .
C42 C 0.8615(6) 0.4872(2) 0.1765(7) 0.067(3) Uani 1 1 d . . . . .
H42A H 0.845107 0.504410 0.156207 0.080 Uiso 1 1 calc R U . . .
H42B H 0.826024 0.474374 0.158150 0.080 Uiso 1 1 calc R U . . .
Pd4 Pd 0.92790(6) 0.57787(2) 0.27891(6) 0.0760(3) Uani 1 1 d . . . . .
Pd5 Pd 0.68516(8) 0.65999(2) -0.26003(10) 0.1021(5) Uani 1 1 d . . . . .
Pd6 Pd 0.82165(15) 0.74822(3) 0.19839(15) 0.1855(11) Uani 1 1 d . . . . .
Cl7 Cl 0.9885(2) 0.57744(8) 0.4186(2) 0.0937(11) Uani 1 1 d . . . . .
Cl8 Cl 1.02305(19) 0.58583(7) 0.1921(2) 0.0822(10) Uani 1 1 d . . . . .
Cl9 Cl 0.5783(3) 0.64564(8) -0.3019(3) 0.1191(15) Uani 1 1 d . . . . .
Cl10 Cl 0.6442(3) 0.70056(8) -0.2290(4) 0.1415(19) Uani 1 1 d . . . . .
Cl11 Cl 0.8227(6) 0.78749(11) 0.1234(5) 0.249(5) Uani 1 1 d . . . . .
Cl12 Cl 0.9405(6) 0.7449(2) 0.2014(7) 0.265(5) Uani 1 1 d . . . . .
N7 N 0.8373(6) 0.5718(2) 0.3467(7) 0.082(3) Uani 1 1 d . . . . .
H7N H 0.845172 0.557002 0.390350 0.098 Uiso 1 1 calc R U . . .
N8 N 0.8672(6) 0.5766(2) 0.1591(6) 0.073(3) Uani 1 1 d . . . . .
H8N H 0.890031 0.565050 0.112849 0.088 Uiso 1 1 calc R U . . .
N9 N 0.7267(7) 0.6270(2) -0.3018(8) 0.090(3) Uani 1 1 d . . . . .
H9N H 0.704381 0.623321 -0.363973 0.109 Uiso 1 1 calc R U . . .
N10 N 0.7848(8) 0.6696(3) -0.2267(10) 0.110(4) Uani 1 1 d . . . . .
H10N H 0.792203 0.687482 -0.251243 0.132 Uiso 1 1 calc R U . . .
N11 N 0.7233(13) 0.7500(3) 0.2023(14) 0.168(5) Uani 1 1 d . U . . .
H11N H 0.711753 0.767457 0.227261 0.201 Uiso 1 1 calc R U . . .
N12 N 0.8147(12) 0.7144(3) 0.2691(13) 0.176(5) Uani 1 1 d . U . . .
H12N H 0.851594 0.714018 0.318456 0.211 Uiso 1 1 calc R U . . .
C43 C 0.7871(7) 0.5632(3) 0.2766(7) 0.072(3) Uani 1 1 d . . . . .
C44 C 0.7246(8) 0.5526(3) 0.3048(9) 0.083(4) Uani 1 1 d . . . . .
H44 H 0.713623 0.551661 0.369244 0.100 Uiso 1 1 calc R U . . .
C45 C 0.6800(8) 0.5438(3) 0.2381(9) 0.089(4) Uani 1 1 d . . . . .
H45 H 0.636775 0.536988 0.255270 0.107 Uiso 1 1 calc R U . . .
C46 C 0.6985(8) 0.5448(3) 0.1430(9) 0.081(4) Uani 1 1 d . . . . .
H46 H 0.668166 0.538113 0.096247 0.097 Uiso 1 1 calc R U . . .
C47 C 0.7577(7) 0.5551(2) 0.1184(7) 0.068(3) Uani 1 1 d . . . . .
H47 H 0.769223 0.555777 0.054083 0.082 Uiso 1 1 calc R U . . .
C48 C 0.8025(7) 0.5646(2) 0.1846(8) 0.069(3) Uani 1 1 d . . . . .
C49 C 0.8614(8) 0.6036(3) 0.1161(8) 0.082(4) Uani 1 1 d . . . . .
H49A H 0.837522 0.615136 0.159999 0.099 Uiso 1 1 calc R U . . .
H49B H 0.907918 0.610610 0.106520 0.099 Uiso 1 1 calc R U . . .
C50 C 0.8230(7) 0.6030(2) 0.0241(8) 0.072(3) Uani 1 1 d . . . . .
C51 C 0.8530(8) 0.5938(3) -0.0575(8) 0.081(4) Uani 1 1 d . . . . .
H51 H 0.897620 0.586572 -0.053069 0.097 Uiso 1 1 calc R U . . .
C52 C 0.7568(7) 0.6118(2) 0.0181(8) 0.073(3) Uani 1 1 d . . . . .
H52 H 0.734657 0.618038 0.072301 0.087 Uiso 1 1 calc R U . . .
C53 C 0.8215(7) 0.5947(2) -0.1422(8) 0.073(4) Uani 1 1 d . . . . .
H53 H 0.844861 0.589177 -0.196457 0.088 Uiso 1 1 calc R U . . .
C54 C 0.7213(8) 0.6115(2) -0.0705(9) 0.080(4) Uani 1 1 d . . . . .
H54 H 0.674651 0.616750 -0.074508 0.096 Uiso 1 1 calc R U . . .
C55 C 0.7543(8) 0.6038(3) -0.1496(8) 0.077(4) Uani 1 1 d . . . . .
C56 C 0.7151(8) 0.6018(2) -0.2420(9) 0.086(4) Uani 1 1 d . . . . .
H56A H 0.665665 0.599581 -0.230118 0.103 Uiso 1 1 calc R U . . .
H56B H 0.731082 0.586503 -0.277165 0.103 Uiso 1 1 calc R U . . .
C57 C 0.7951(9) 0.6309(3) -0.3211(9) 0.089(4) Uani 1 1 d . . . . .
C58 C 0.8405(11) 0.6141(4) -0.3716(9) 0.109(6) Uani 1 1 d . . . . .
H58 H 0.822061 0.598306 -0.395140 0.131 Uiso 1 1 calc R U . . .
C59 C 0.9056(10) 0.6188(3) -0.3877(9) 0.091(4) Uani 1 1 d . . . . .
H59 H 0.930787 0.607126 -0.425068 0.109 Uiso 1 1 calc R U . . .
C60 C 0.9358(11) 0.6389(3) -0.3543(11) 0.102(5) Uani 1 1 d . . . . .
H60 H 0.982765 0.642320 -0.365122 0.123 Uiso 1 1 calc R U . . .
C61 C 0.8930(16) 0.6563(4) -0.2979(14) 0.147(10) Uani 1 1 d . . . . .
H61 H 0.914762 0.671401 -0.274130 0.176 Uiso 1 1 calc R U . . .
C62 C 0.8286(8) 0.6532(3) -0.2772(9) 0.069(4) Uani 1 1 d . . . . .
C63 C 0.8066(9) 0.6700(3) -0.1284(12) 0.101(5) Uani 1 1 d . . . . .
H63A H 0.798786 0.652515 -0.102276 0.121 Uiso 1 1 calc R U . . .
H63B H 0.856651 0.673092 -0.125952 0.121 Uiso 1 1 calc R U . . .
C64 C 0.7745(11) 0.6886(3) -0.0670(13) 0.120(6) Uani 1 1 d . . . . .
C65 C 0.7937(11) 0.7147(3) -0.0691(12) 0.117(6) Uani 1 1 d . . . . .
H65 H 0.829000 0.720006 -0.109853 0.141 Uiso 1 1 calc R U . . .
C66 C 0.7170(10) 0.6826(3) -0.0101(13) 0.117(6) Uani 1 1 d . . . . .
H66 H 0.700466 0.665311 -0.011496 0.140 Uiso 1 1 calc R U . . .
C67 C 0.7633(13) 0.7324(4) -0.0147(15) 0.141(8) Uani 1 1 d . . . . .
H67 H 0.776799 0.749934 -0.020203 0.169 Uiso 1 1 calc R U . . .
C68 C 0.6857(12) 0.6991(3) 0.0439(13) 0.134(7) Uani 1 1 d . . . . .
H68 H 0.646776 0.694187 0.078790 0.161 Uiso 1 1 calc R U . . .
C69 C 0.7138(14) 0.7262(3) 0.0483(17) 0.160(10) Uani 1 1 d . . . . .
C70 C 0.6829(18) 0.7465(3) 0.120(2) 0.208(14) Uani 1 1 d . . . . .
H70A H 0.677864 0.763373 0.087678 0.249 Uiso 1 1 calc R U . . .
H70B H 0.636626 0.740685 0.137553 0.249 Uiso 1 1 calc R U . . .
C71 C 0.6971(13) 0.7303(3) 0.2733(11) 0.175(5) Uani 1 1 d D U . . .
C72 C 0.6348(11) 0.7319(3) 0.3143(13) 0.180(5) Uani 1 1 d D U . . .
H72 H 0.601093 0.743315 0.289411 0.216 Uiso 1 1 calc R U . . .
C73 C 0.6196(10) 0.7163(3) 0.3955(14) 0.185(6) Uani 1 1 d D U . . .
H73 H 0.575519 0.717112 0.422560 0.222 Uiso 1 1 calc R U . . .
C74 C 0.6688(12) 0.7003(3) 0.4333(12) 0.185(6) Uani 1 1 d D U . . .
H74 H 0.658964 0.690055 0.486698 0.222 Uiso 1 1 calc R U . . .
C75 C 0.7361(11) 0.6989(3) 0.3913(14) 0.182(5) Uani 1 1 d D U . . .
H75 H 0.770381 0.687948 0.417570 0.218 Uiso 1 1 calc R U . . .
C76 C 0.7500(10) 0.7136(4) 0.3138(14) 0.175(5) Uani 1 1 d D U . . .
C77 C 0.8246(13) 0.6919(4) 0.2048(13) 0.147(8) Uani 1 1 d . . . . .
H77A H 0.869447 0.693550 0.174159 0.176 Uiso 1 1 calc R U . . .
H77B H 0.788495 0.692158 0.155278 0.176 Uiso 1 1 calc R U . . .
C78 C 0.8219(11) 0.6659(4) 0.2568(13) 0.117(4) Uani 1 1 d . U . . .
C79 C 0.8750(11) 0.6577(4) 0.3036(12) 0.115(4) Uani 1 1 d . U . . .
H79 H 0.915208 0.668044 0.304368 0.138 Uiso 1 1 calc R U . . .
C80 C 0.7620(11) 0.6516(3) 0.2572(12) 0.116(4) Uani 1 1 d . U . . .
H80 H 0.722172 0.657710 0.224928 0.139 Uiso 1 1 calc R U . . .
C81 C 0.8758(10) 0.6329(3) 0.3564(11) 0.111(3) Uani 1 1 d . U . . .
H81 H 0.915531 0.627236 0.389805 0.133 Uiso 1 1 calc R U . . .
C82 C 0.7607(10) 0.6275(3) 0.3070(11) 0.110(3) Uani 1 1 d . U . . .
H82 H 0.719515 0.617709 0.306297 0.132 Uiso 1 1 calc R U . . .
C83 C 0.8155(10) 0.6183(3) 0.3548(11) 0.103(3) Uani 1 1 d . U . . .
C84 C 0.8146(9) 0.5948(3) 0.4071(9) 0.098(5) Uani 1 1 d . . . . .
H84A H 0.767736 0.591601 0.429874 0.117 Uiso 1 1 calc R U . . .
H84B H 0.845684 0.596372 0.462341 0.117 Uiso 1 1 calc R U . . .
O1G O 0.5838(7) 0.5588(2) 0.4475(9) 0.090(4) Uiso 0.752(12) 1 d . . P A 1
O2G O 0.6379(8) 0.6022(3) 0.5089(9) 0.098(4) Uiso 0.752(12) 1 d . . P A 1
C1G C 0.5478(11) 0.6005(3) 0.3935(13) 0.083(5) Uiso 0.752(12) 1 d . . P A 1
C2G C 0.5409(10) 0.5748(3) 0.3941(12) 0.076(5) Uiso 0.752(12) 1 d . . P A 1
C3G C 0.4951(10) 0.5612(3) 0.3337(12) 0.078(5) Uiso 0.752(12) 1 d . . P A 1
H3G H 0.495864 0.542893 0.331654 0.093 Uiso 0.752(12) 1 calc R U P A 1
C4G C 0.4484(11) 0.5752(3) 0.2766(13) 0.091(6) Uiso 0.752(12) 1 d . . P A 1
H4G H 0.415706 0.566598 0.237886 0.109 Uiso 0.752(12) 1 calc R U P A 1
C5G C 0.4519(12) 0.6028(4) 0.2789(14) 0.096(6) Uiso 0.752(12) 1 d . . P A 1
H5G H 0.420900 0.613155 0.243113 0.115 Uiso 0.752(12) 1 calc R U P A 1
C6G C 0.5037(13) 0.6143(5) 0.3369(16) 0.115(7) Uiso 0.752(12) 1 d . . P A 1
H6G H 0.507909 0.632578 0.336300 0.138 Uiso 0.752(12) 1 calc R U P A 1
C7G C 0.6006(11) 0.6148(3) 0.4526(13) 0.087(5) Uiso 0.752(12) 1 d . . P A 1
C8G C 0.6009(13) 0.6417(4) 0.4492(15) 0.109(7) Uiso 0.752(12) 1 d . . P A 1
H8G1 H 0.568384 0.647586 0.400803 0.163 Uiso 0.752(12) 1 calc R U P A 1
H8G2 H 0.587602 0.648578 0.510148 0.163 Uiso 0.752(12) 1 calc R U P A 1
H8G3 H 0.647000 0.647752 0.434434 0.163 Uiso 0.752(12) 1 calc R U P A 1
O2W O 0.672(4) 0.6177(13) 0.520(5) 0.17(2) Uiso 0.248(12) 1 d . . P A 2
O1W O 0.9104(13) 0.7149(4) 0.4331(16) 0.244(9) Uiso 1 1 d . . . . .
N1S N 0.6692(7) 0.5509(2) -0.0945(8) 0.082(3) Uani 1 1 d D . . . .
C1S C 0.7159(8) 0.5412(3) -0.1234(9) 0.077(4) Uani 1 1 d D . . . .
C1T C 0.7772(8) 0.5306(3) -0.1607(9) 0.088(4) Uani 1 1 d D . . . .
H1T1 H 0.793340 0.541752 -0.211273 0.131 Uiso 1 1 calc R U . . .
H1T2 H 0.767815 0.513303 -0.185261 0.131 Uiso 1 1 calc R U . . .
H1T3 H 0.812396 0.529625 -0.111073 0.131 Uiso 1 1 calc R U . . .
N2S N 0.5983(12) 0.6422(4) 0.1279(15) 0.181(8) Uiso 1 1 d . . . . .
C2S C 0.5881(13) 0.6197(4) 0.1128(15) 0.145(7) Uiso 1 1 d . . . . .
C2T C 0.5782(10) 0.5914(3) 0.1026(12) 0.115(5) Uiso 1 1 d . . . . .
H2T1 H 0.583289 0.583120 0.164060 0.173 Uiso 1 1 calc R U . . .
H2T2 H 0.612519 0.584459 0.060195 0.173 Uiso 1 1 calc R U . . .
H2T3 H 0.532233 0.587958 0.076919 0.173 Uiso 1 1 calc R U . . .
N3S N 0.784(2) 0.3961(8) 0.325(3) 0.35(2) Uiso 1 1 d D . . . .
C3S C 0.832(3) 0.3934(11) 0.371(4) 0.41(3) Uiso 1 1 d D . . . .
C3T C 0.879(2) 0.3831(9) 0.439(3) 0.36(3) Uiso 1 1 d D . . . .
H3T1 H 0.853946 0.374069 0.487619 0.545 Uiso 1 1 calc R U . . .
H3T2 H 0.905959 0.397174 0.466779 0.545 Uiso 1 1 calc R U . . .
H3T3 H 0.910106 0.370881 0.408187 0.545 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.030(9) . ?
Pd1 N2 2.040(10) . ?
Pd1 Cl2 2.311(3) . ?
Pd1 Cl1 2.316(3) . ?
Pd2 N3 2.025(11) . ?
Pd2 N4 2.081(10) . ?
Pd2 Cl3 2.307(3) . ?
Pd2 Cl4 2.308(4) . ?
Pd3 N6 1.999(12) . ?
Pd3 N5 2.028(10) . ?
Pd3 Cl6 2.280(4) . ?
Pd3 Cl5 2.287(4) . ?
N1 C1 1.438(16) . ?
N1 C42 1.522(15) . ?
N1 H1N 1.0000 . ?
N2 C7 1.474(14) . ?
N2 C6 1.512(14) . ?
N2 H2N 1.0000 . ?
N3 C15 1.466(15) . ?
N3 C14 1.484(15) . ?
N3 H3N 1.0000 . ?
N4 C21 1.468(15) . ?
N4 C20 1.468(17) . ?
N4 H4N 1.0000 . ?
N5 C28 1.510(13) . ?
N5 C29 1.530(15) . ?
N5 H5N 1.0000 . ?
N6 C34 1.438(17) . ?
N6 C35 1.527(16) . ?
N6 H6N 1.0000 . ?
C1 C2 1.385(16) . ?
C1 C6 1.389(16) . ?
C2 C3 1.310(17) . ?
C2 H2A 0.9500 . ?
C3 C4 1.427(19) . ?
C3 H3A 0.9500 . ?
C4 C5 1.423(17) . ?
C4 H4A 0.9500 . ?
C5 C6 1.335(16) . ?
C5 H5A 0.9500 . ?
C7 C8 1.484(16) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.371(17) . ?
C8 C10 1.412(16) . ?
C9 C11 1.349(18) . ?
C9 H9A 0.9500 . ?
C10 C12 1.377(17) . ?
C10 H10A 0.9500 . ?
C11 C13 1.381(17) . ?
C11 H11A 0.9500 . ?
C12 C13 1.386(17) . ?
C12 H12A 0.9500 . ?
C13 C14 1.555(18) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.343(19) . ?
C15 C16 1.405(18) . ?
C16 C17 1.43(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.36(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.35(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(19) . ?
C19 H19 0.9500 . ?
C21 C22 1.536(18) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.397(18) . ?
C22 C24 1.415(19) . ?
C23 C25 1.375(18) . ?
C23 H23 0.9500 . ?
C24 C26 1.437(18) . ?
C24 H24 0.9500 . ?
C25 C27 1.385(19) . ?
C25 H25 0.9500 . ?
C26 C27 1.364(18) . ?
C26 H26 0.9500 . ?
C27 C28 1.502(17) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.330(17) . ?
C29 C30 1.360(18) . ?
C30 C31 1.44(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.37(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.31(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.47(2) . ?
C33 H33 0.9500 . ?
C35 C36 1.548(14) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.366(17) . ?
C36 C38 1.421(17) . ?
C37 C39 1.390(16) . ?
C37 H37 0.9500 . ?
C38 C40 1.384(16) . ?
C38 H38 0.9500 . ?
C39 C41 1.400(16) . ?
C39 H39 0.9500 . ?
C40 C41 1.331(17) . ?
C40 H40 0.9500 . ?
C41 C42 1.493(14) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N7 2.056(12) . ?
Pd4 N8 2.066(9) . ?
Pd4 Cl8 2.289(4) . ?
Pd4 Cl7 2.301(3) . ?
Pd5 N9 1.986(12) . ?
Pd5 N10 2.056(15) . ?
Pd5 Cl9 2.284(5) . ?
Pd5 Cl10 2.293(5) . ?
Pd6 N11 1.92(3) . ?
Pd6 N12 2.025(17) . ?
Pd6 Cl11 2.298(7) . ?
Pd6 Cl12 2.326(12) . ?
N7 C43 1.459(15) . ?
N7 C84 1.537(17) . ?
N7 H7N 1.0000 . ?
N8 C48 1.458(16) . ?
N8 C49 1.529(16) . ?
N8 H8N 1.0000 . ?
N9 C57 1.384(19) . ?
N9 C56 1.579(16) . ?
N9 H9N 1.0000 . ?
N10 C62 1.413(19) . ?
N10 C63 1.460(19) . ?
N10 H10N 1.0000 . ?
N11 C70 1.42(3) . ?
N11 C71 1.53(2) . ?
N11 H11N 1.0000 . ?
N12 C76 1.43(2) . ?
N12 C77 1.50(2) . ?
N12 H12N 1.0000 . ?
C43 C48 1.356(16) . ?
C43 C44 1.403(18) . ?
C44 C45 1.358(18) . ?
C44 H44 0.9500 . ?
C45 C46 1.413(17) . ?
C45 H45 0.9500 . ?
C46 C47 1.326(18) . ?
C46 H46 0.9500 . ?
C47 C48 1.369(16) . ?
C47 H47 0.9500 . ?
C49 C50 1.503(16) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C52 1.372(18) . ?
C50 C51 1.397(17) . ?
C51 C53 1.347(16) . ?
C51 H51 0.9500 . ?
C52 C54 1.432(17) . ?
C52 H52 0.9500 . ?
C53 C55 1.396(19) . ?
C53 H53 0.9500 . ?
C54 C55 1.371(18) . ?
C54 H54 0.9500 . ?
C55 C56 1.518(16) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.45(2) . ?
C57 C62 1.46(2) . ?
C58 C59 1.32(2) . ?
C58 H58 0.9500 . ?
C59 C60 1.28(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.48(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.31(3) . ?
C61 H61 0.9500 . ?
C63 C64 1.45(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.40(2) . ?
C64 C66 1.43(2) . ?
C65 C67 1.34(2) . ?
C65 H65 0.9500 . ?
C66 C68 1.31(2) . ?
C66 H66 0.9500 . ?
C67 C69 1.37(3) . ?
C67 H67 0.9500 . ?
C68 C69 1.51(2) . ?
C68 H68 0.9500 . ?
C69 C70 1.59(3) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.36(2) . ?
C71 C76 1.46(2) . ?
C72 C73 1.45(2) . ?
C72 H72 0.9500 . ?
C73 C74 1.37(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.46(2) . ?
C74 H74 0.9500 . ?
C75 C76 1.37(2) . ?
C75 H75 0.9500 . ?
C77 C78 1.54(3) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.29(2) . ?
C78 C80 1.38(3) . ?
C79 C81 1.49(2) . ?
C79 H79 0.9500 . ?
C80 C82 1.44(2) . ?
C80 H80 0.9500 . ?
C81 C83 1.40(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.35(2) . ?
C82 H82 0.9500 . ?
C83 C84 1.43(2) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
O1G C2G 1.40(2) . ?
O2G C7G 1.26(2) . ?
C1G C2G 1.34(2) . ?
C1G C6G 1.37(3) . ?
C1G C7G 1.51(3) . ?
C2G C3G 1.42(2) . ?
C3G C4G 1.41(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.43(2) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.42(3) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C7G C8G 1.39(2) . ?
C8G H8G1 0.9800 . ?
C8G H8G2 0.9800 . ?
C8G H8G3 0.9800 . ?
N1S C1S 1.125(17) . ?
C1S C1T 1.43(2) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
N2S C2S 1.20(2) . ?
C2S C2T 1.48(2) . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
N3S C3S 1.133(19) . ?
C3S C3T 1.43(2) . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 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
N1 Pd1 N2 85.3(4) . . ?
N1 Pd1 Cl2 171.0(3) . . ?
N2 Pd1 Cl2 90.3(3) . . ?
N1 Pd1 Cl1 90.7(3) . . ?
N2 Pd1 Cl1 174.3(3) . . ?
Cl2 Pd1 Cl1 94.16(11) . . ?
N3 Pd2 N4 83.9(4) . . ?
N3 Pd2 Cl3 90.6(3) . . ?
N4 Pd2 Cl3 174.5(3) . . ?
N3 Pd2 Cl4 176.8(3) . . ?
N4 Pd2 Cl4 93.2(3) . . ?
Cl3 Pd2 Cl4 92.29(13) . . ?
N6 Pd3 N5 85.0(4) . . ?
N6 Pd3 Cl6 92.0(3) . . ?
N5 Pd3 Cl6 176.3(3) . . ?
N6 Pd3 Cl5 174.8(3) . . ?
N5 Pd3 Cl5 91.4(3) . . ?
Cl6 Pd3 Cl5 91.68(15) . . ?
C1 N1 C42 112.5(10) . . ?
C1 N1 Pd1 107.3(7) . . ?
C42 N1 Pd1 112.3(7) . . ?
C1 N1 H1N 108.2 . . ?
C42 N1 H1N 108.2 . . ?
Pd1 N1 H1N 108.2 . . ?
C7 N2 C6 115.9(10) . . ?
C7 N2 Pd1 116.8(8) . . ?
C6 N2 Pd1 107.5(7) . . ?
C7 N2 H2N 105.2 . . ?
C6 N2 H2N 105.2 . . ?
Pd1 N2 H2N 105.2 . . ?
C15 N3 C14 115.7(10) . . ?
C15 N3 Pd2 108.1(8) . . ?
C14 N3 Pd2 109.9(7) . . ?
C15 N3 H3N 107.6 . . ?
C14 N3 H3N 107.6 . . ?
Pd2 N3 H3N 107.6 . . ?
C21 N4 C20 114.8(10) . . ?
C21 N4 Pd2 116.0(8) . . ?
C20 N4 Pd2 107.9(8) . . ?
C21 N4 H4N 105.8 . . ?
C20 N4 H4N 105.8 . . ?
Pd2 N4 H4N 105.8 . . ?
C28 N5 C29 114.3(9) . . ?
C28 N5 Pd3 109.3(7) . . ?
C29 N5 Pd3 107.6(6) . . ?
C28 N5 H5N 108.5 . . ?
C29 N5 H5N 108.5 . . ?
Pd3 N5 H5N 108.5 . . ?
C34 N6 C35 113.4(11) . . ?
C34 N6 Pd3 108.6(9) . . ?
C35 N6 Pd3 118.6(8) . . ?
C34 N6 H6N 105.0 . . ?
C35 N6 H6N 105.0 . . ?
Pd3 N6 H6N 105.0 . . ?
C2 C1 C6 117.5(12) . . ?
C2 C1 N1 122.6(11) . . ?
C6 C1 N1 119.9(10) . . ?
C3 C2 C1 121.8(12) . . ?
C3 C2 H2A 119.1 . . ?
C1 C2 H2A 119.1 . . ?
C2 C3 C4 121.5(12) . . ?
C2 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
C5 C4 C3 116.9(14) . . ?
C5 C4 H4A 121.5 . . ?
C3 C4 H4A 121.5 . . ?
C6 C5 C4 118.9(12) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C5 C6 C1 123.2(11) . . ?
C5 C6 N2 121.4(10) . . ?
C1 C6 N2 115.3(11) . . ?
N2 C7 C8 111.2(9) . . ?
N2 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
N2 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C9 C8 C10 115.3(12) . . ?
C9 C8 C7 120.6(11) . . ?
C10 C8 C7 124.1(12) . . ?
C11 C9 C8 125.3(11) . . ?
C11 C9 H9A 117.4 . . ?
C8 C9 H9A 117.4 . . ?
C12 C10 C8 121.1(12) . . ?
C12 C10 H10A 119.5 . . ?
C8 C10 H10A 119.5 . . ?
C9 C11 C13 118.6(13) . . ?
C9 C11 H11A 120.7 . . ?
C13 C11 H11A 120.7 . . ?
C10 C12 C13 120.2(11) . . ?
C10 C12 H12A 119.9 . . ?
C13 C12 H12A 119.9 . . ?
C11 C13 C12 119.5(13) . . ?
C11 C13 C14 119.8(12) . . ?
C12 C13 C14 120.5(11) . . ?
N3 C14 C13 113.4(9) . . ?
N3 C14 H14A 108.9 . . ?
C13 C14 H14A 108.9 . . ?
N3 C14 H14B 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C20 C15 C16 121.6(12) . . ?
C20 C15 N3 118.7(12) . . ?
C16 C15 N3 119.4(13) . . ?
C15 C16 C17 114.8(15) . . ?
C15 C16 H16 122.6 . . ?
C17 C16 H16 122.6 . . ?
C18 C17 C16 121.4(16) . . ?
C18 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
C19 C18 C17 122.2(15) . . ?
C19 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C18 C19 C20 116.9(15) . . ?
C18 C19 H19 121.5 . . ?
C20 C19 H19 121.5 . . ?
C15 C20 C19 122.8(13) . . ?
C15 C20 N4 117.7(12) . . ?
C19 C20 N4 119.0(13) . . ?
N4 C21 C22 111.8(10) . . ?
N4 C21 H21A 109.3 . . ?
C22 C21 H21A 109.3 . . ?
N4 C21 H21B 109.2 . . ?
C22 C21 H21B 109.3 . . ?
H21A C21 H21B 107.9 . . ?
C23 C22 C24 118.8(13) . . ?
C23 C22 C21 120.9(13) . . ?
C24 C22 C21 120.2(13) . . ?
C25 C23 C22 119.9(13) . . ?
C25 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C22 C24 C26 120.7(13) . . ?
C22 C24 H24 119.6 . . ?
C26 C24 H24 119.6 . . ?
C23 C25 C27 121.2(13) . . ?
C23 C25 H25 119.4 . . ?
C27 C25 H25 119.4 . . ?
C27 C26 C24 117.4(14) . . ?
C27 C26 H26 121.3 . . ?
C24 C26 H26 121.3 . . ?
C26 C27 C25 122.1(13) . . ?
C26 C27 C28 121.0(13) . . ?
C25 C27 C28 116.9(13) . . ?
C27 C28 N5 116.8(11) . . ?
C27 C28 H28A 108.1 . . ?
N5 C28 H28A 108.1 . . ?
C27 C28 H28B 108.1 . . ?
N5 C28 H28B 108.1 . . ?
H28A C28 H28B 107.3 . . ?
C34 C29 C30 127.8(13) . . ?
C34 C29 N5 113.9(11) . . ?
C30 C29 N5 118.3(10) . . ?
C29 C30 C31 115.5(14) . . ?
C29 C30 H30 122.3 . . ?
C31 C30 H30 122.3 . . ?
C32 C31 C30 119.0(15) . . ?
C32 C31 H31 120.5 . . ?
C30 C31 H31 120.5 . . ?
C33 C32 C31 122.3(15) . . ?
C33 C32 H32 118.8 . . ?
C31 C32 H32 118.8 . . ?
C32 C33 C34 121.4(15) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C29 C34 N6 121.9(13) . . ?
C29 C34 C33 113.8(14) . . ?
N6 C34 C33 124.1(14) . . ?
N6 C35 C36 108.4(10) . . ?
N6 C35 H35A 110.0 . . ?
C36 C35 H35A 110.0 . . ?
N6 C35 H35B 110.0 . . ?
C36 C35 H35B 110.0 . . ?
H35A C35 H35B 108.4 . . ?
C37 C36 C38 120.7(11) . . ?
C37 C36 C35 118.1(11) . . ?
C38 C36 C35 121.2(11) . . ?
C36 C37 C39 119.5(12) . . ?
C36 C37 H37 120.3 . . ?
C39 C37 H37 120.2 . . ?
C40 C38 C36 117.3(12) . . ?
C40 C38 H38 121.3 . . ?
C36 C38 H38 121.3 . . ?
C37 C39 C41 119.8(11) . . ?
C37 C39 H39 120.1 . . ?
C41 C39 H39 120.1 . . ?
C41 C40 C38 122.7(13) . . ?
C41 C40 H40 118.6 . . ?
C38 C40 H40 118.6 . . ?
C40 C41 C39 119.9(10) . . ?
C40 C41 C42 120.2(11) . . ?
C39 C41 C42 119.5(11) . . ?
C41 C42 N1 113.4(9) . . ?
C41 C42 H42A 108.9 . . ?
N1 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
N1 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
N7 Pd4 N8 84.2(4) . . ?
N7 Pd4 Cl8 174.8(3) . . ?
N8 Pd4 Cl8 91.0(3) . . ?
N7 Pd4 Cl7 91.4(3) . . ?
N8 Pd4 Cl7 175.2(3) . . ?
Cl8 Pd4 Cl7 93.52(14) . . ?
N9 Pd5 N10 83.6(6) . . ?
N9 Pd5 Cl9 91.0(4) . . ?
N10 Pd5 Cl9 174.6(4) . . ?
N9 Pd5 Cl10 172.2(4) . . ?
N10 Pd5 Cl10 93.7(4) . . ?
Cl9 Pd5 Cl10 91.6(2) . . ?
N11 Pd6 N12 87.1(9) . . ?
N11 Pd6 Cl11 89.4(6) . . ?
N12 Pd6 Cl11 176.0(6) . . ?
N11 Pd6 Cl12 176.9(7) . . ?
N12 Pd6 Cl12 90.1(7) . . ?
Cl11 Pd6 Cl12 93.3(4) . . ?
C43 N7 C84 115.3(11) . . ?
C43 N7 Pd4 107.3(7) . . ?
C84 N7 Pd4 114.0(9) . . ?
C43 N7 H7N 106.6 . . ?
C84 N7 H7N 106.6 . . ?
Pd4 N7 H7N 106.6 . . ?
C48 N8 C49 115.5(11) . . ?
C48 N8 Pd4 107.1(7) . . ?
C49 N8 Pd4 109.8(7) . . ?
C48 N8 H8N 108.1 . . ?
C49 N8 H8N 108.1 . . ?
Pd4 N8 H8N 108.1 . . ?
C57 N9 C56 112.0(11) . . ?
C57 N9 Pd5 109.7(10) . . ?
C56 N9 Pd5 119.0(9) . . ?
C57 N9 H9N 104.9 . . ?
C56 N9 H9N 104.9 . . ?
Pd5 N9 H9N 104.9 . . ?
C62 N10 C63 109.2(13) . . ?
C62 N10 Pd5 108.3(10) . . ?
C63 N10 Pd5 119.0(11) . . ?
C62 N10 H10N 106.6 . . ?
C63 N10 H10N 106.6 . . ?
Pd5 N10 H10N 106.6 . . ?
C70 N11 C71 106(2) . . ?
C70 N11 Pd6 120.7(18) . . ?
C71 N11 Pd6 109.5(17) . . ?
C70 N11 H11N 106.6 . . ?
C71 N11 H11N 106.6 . . ?
Pd6 N11 H11N 106.6 . . ?
C76 N12 C77 112.1(17) . . ?
C76 N12 Pd6 108.5(15) . . ?
C77 N12 Pd6 110.9(13) . . ?
C76 N12 H12N 108.4 . . ?
C77 N12 H12N 108.4 . . ?
Pd6 N12 H12N 108.4 . . ?
C48 C43 C44 120.6(12) . . ?
C48 C43 N7 119.3(12) . . ?
C44 C43 N7 120.1(11) . . ?
C45 C44 C43 118.7(12) . . ?
C45 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C44 C45 C46 119.3(14) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C47 C46 C45 120.6(13) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C46 C47 C48 120.8(12) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 H47 119.6 . . ?
C43 C48 C47 119.9(13) . . ?
C43 C48 N8 118.3(11) . . ?
C47 C48 N8 121.8(11) . . ?
C50 C49 N8 111.4(10) . . ?
C50 C49 H49A 109.3 . . ?
N8 C49 H49A 109.3 . . ?
C50 C49 H49B 109.3 . . ?
N8 C49 H49B 109.3 . . ?
H49A C49 H49B 108.0 . . ?
C52 C50 C51 118.0(11) . . ?
C52 C50 C49 120.3(12) . . ?
C51 C50 C49 121.7(13) . . ?
C53 C51 C50 123.1(14) . . ?
C53 C51 H51 118.5 . . ?
C50 C51 H51 118.5 . . ?
C50 C52 C54 119.5(12) . . ?
C50 C52 H52 120.2 . . ?
C54 C52 H52 120.2 . . ?
C51 C53 C55 119.5(12) . . ?
C51 C53 H53 120.3 . . ?
C55 C53 H53 120.3 . . ?
C55 C54 C52 120.2(14) . . ?
C55 C54 H54 119.9 . . ?
C52 C54 H54 119.9 . . ?
C54 C55 C53 119.5(12) . . ?
C54 C55 C56 119.9(14) . . ?
C53 C55 C56 120.1(12) . . ?
C55 C56 N9 109.9(11) . . ?
C55 C56 H56A 109.7 . . ?
N9 C56 H56A 109.7 . . ?
C55 C56 H56B 109.7 . . ?
N9 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
N9 C57 C58 128.0(17) . . ?
N9 C57 C62 117.0(14) . . ?
C58 C57 C62 114.6(16) . . ?
C59 C58 C57 125.1(19) . . ?
C59 C58 H58 117.4 . . ?
C57 C58 H58 117.4 . . ?
C60 C59 C58 121.7(18) . . ?
C60 C59 H59 119.2 . . ?
C58 C59 H59 119.2 . . ?
C59 C60 C61 115.9(19) . . ?
C59 C60 H60 122.1 . . ?
C61 C60 H60 122.0 . . ?
C62 C61 C60 127.2(18) . . ?
C62 C61 H61 116.4 . . ?
C60 C61 H61 116.4 . . ?
C61 C62 N10 129.4(17) . . ?
C61 C62 C57 115.1(15) . . ?
N10 C62 C57 115.1(14) . . ?
C64 C63 N10 117.8(15) . . ?
C64 C63 H63A 107.9 . . ?
N10 C63 H63A 107.9 . . ?
C64 C63 H63B 107.9 . . ?
N10 C63 H63B 107.9 . . ?
H63A C63 H63B 107.2 . . ?
C65 C64 C66 115.8(16) . . ?
C65 C64 C63 120.5(17) . . ?
C66 C64 C63 123.3(15) . . ?
C67 C65 C64 121.4(19) . . ?
C67 C65 H65 119.3 . . ?
C64 C65 H65 119.3 . . ?
C68 C66 C64 124.8(16) . . ?
C68 C66 H66 117.6 . . ?
C64 C66 H66 117.6 . . ?
C65 C67 C69 123.0(19) . . ?
C65 C67 H67 118.5 . . ?
C69 C67 H67 118.5 . . ?
C66 C68 C69 117.2(19) . . ?
C66 C68 H68 121.4 . . ?
C69 C68 H68 121.4 . . ?
C67 C69 C68 116.8(18) . . ?
C67 C69 C70 123.1(19) . . ?
C68 C69 C70 120(2) . . ?
N11 C70 C69 114(2) . . ?
N11 C70 H70A 108.8 . . ?
C69 C70 H70A 108.8 . . ?
N11 C70 H70B 108.8 . . ?
C69 C70 H70B 108.8 . . ?
H70A C70 H70B 107.7 . . ?
C72 C71 C76 119.7(9) . . ?
C72 C71 N11 123.8(18) . . ?
C76 C71 N11 114.5(19) . . ?
C71 C72 C73 120.6(9) . . ?
C71 C72 H72 119.7 . . ?
C73 C72 H72 119.7 . . ?
C74 C73 C72 119.9(9) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C75 119.9(9) . . ?
C73 C74 H74 120.1 . . ?
C75 C74 H74 120.1 . . ?
C76 C75 C74 119.9(9) . . ?
C76 C75 H75 120.0 . . ?
C74 C75 H75 120.0 . . ?
C75 C76 N12 124.6(19) . . ?
C75 C76 C71 119.9(9) . . ?
N12 C76 C71 115.5(19) . . ?
N12 C77 C78 112.3(15) . . ?
N12 C77 H77A 109.1 . . ?
C78 C77 H77A 109.1 . . ?
N12 C77 H77B 109.1 . . ?
C78 C77 H77B 109.1 . . ?
H77A C77 H77B 107.9 . . ?
C79 C78 C80 120(2) . . ?
C79 C78 C77 120(2) . . ?
C80 C78 C77 120(2) . . ?
C78 C79 C81 123(2) . . ?
C78 C79 H79 118.5 . . ?
C81 C79 H79 118.5 . . ?
C78 C80 C82 119(2) . . ?
C78 C80 H80 120.4 . . ?
C82 C80 H80 120.4 . . ?
C83 C81 C79 117.2(19) . . ?
C83 C81 H81 121.4 . . ?
C79 C81 H81 121.4 . . ?
C83 C82 C80 123(2) . . ?
C83 C82 H82 118.7 . . ?
C80 C82 H82 118.7 . . ?
C82 C83 C81 118.5(19) . . ?
C82 C83 C84 123.4(18) . . ?
C81 C83 C84 118.0(18) . . ?
C83 C84 N7 110.9(11) . . ?
C83 C84 H84A 109.5 . . ?
N7 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
N7 C84 H84B 109.5 . . ?
H84A C84 H84B 108.1 . . ?
C2G C1G C6G 117.3(19) . . ?
C2G C1G C7G 123.3(17) . . ?
C6G C1G C7G 119.4(17) . . ?
C1G C2G O1G 122.3(16) . . ?
C1G C2G C3G 123.5(17) . . ?
O1G C2G C3G 113.9(14) . . ?
C2G C3G C4G 119.4(16) . . ?
C2G C3G H3G 120.3 . . ?
C4G C3G H3G 120.3 . . ?
C5G C4G C3G 118.0(18) . . ?
C5G C4G H4G 121.0 . . ?
C3G C4G H4G 121.0 . . ?
C6G C5G C4G 118(2) . . ?
C6G C5G H5G 121.2 . . ?
C4G C5G H5G 121.2 . . ?
C1G C6G C5G 124(2) . . ?
C1G C6G H6G 118.0 . . ?
C5G C6G H6G 118.0 . . ?
O2G C7G C8G 122.4(19) . . ?
O2G C7G C1G 119.1(17) . . ?
C8G C7G C1G 118.1(18) . . ?
C7G C8G H8G1 109.5 . . ?
C7G C8G H8G2 109.5 . . ?
H8G1 C8G H8G2 109.5 . . ?
C7G C8G H8G3 109.5 . . ?
H8G1 C8G H8G3 109.5 . . ?
H8G2 C8G H8G3 109.5 . . ?
N1S C1S C1T 176.1(18) . . ?
C1S C1T H1T1 109.5 . . ?
C1S C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C1S C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
N2S C2S C2T 175(2) . . ?
C2S C2T H2T1 109.5 . . ?
C2S C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
C2S C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N3S C3S C3T 162(6) . . ?
C3S C3T H3T1 109.5 . . ?
C3S C3T H3T2 109.4 . . ?
H3T1 C3T H3T2 109.5 . . ?
C3S C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 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
C42 N1 C1 C2 -75.3(15) . . . . ?
Pd1 N1 C1 C2 160.7(11) . . . . ?
C42 N1 C1 C6 103.8(13) . . . . ?
Pd1 N1 C1 C6 -20.3(14) . . . . ?
C6 C1 C2 C3 -1(2) . . . . ?
N1 C1 C2 C3 178.5(13) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
C2 C3 C4 C5 5(2) . . . . ?
C3 C4 C5 C6 -4(2) . . . . ?
C4 C5 C6 C1 1(2) . . . . ?
C4 C5 C6 N2 175.6(12) . . . . ?
C2 C1 C6 C5 2(2) . . . . ?
N1 C1 C6 C5 -177.4(12) . . . . ?
C2 C1 C6 N2 -173.5(11) . . . . ?
N1 C1 C6 N2 7.4(17) . . . . ?
C7 N2 C6 C5 61.5(15) . . . . ?
Pd1 N2 C6 C5 -165.8(10) . . . . ?
C7 N2 C6 C1 -123.2(12) . . . . ?
Pd1 N2 C6 C1 9.5(13) . . . . ?
C6 N2 C7 C8 72.3(13) . . . . ?
Pd1 N2 C7 C8 -55.9(12) . . . . ?
N2 C7 C8 C9 97.5(13) . . . . ?
N2 C7 C8 C10 -81.9(15) . . . . ?
C10 C8 C9 C11 3.6(19) . . . . ?
C7 C8 C9 C11 -175.9(12) . . . . ?
C9 C8 C10 C12 -1.7(18) . . . . ?
C7 C8 C10 C12 177.8(12) . . . . ?
C8 C9 C11 C13 -3(2) . . . . ?
C8 C10 C12 C13 -1.0(19) . . . . ?
C9 C11 C13 C12 -0.4(19) . . . . ?
C9 C11 C13 C14 -175.8(12) . . . . ?
C10 C12 C13 C11 2.1(19) . . . . ?
C10 C12 C13 C14 177.5(11) . . . . ?
C15 N3 C14 C13 61.2(14) . . . . ?
Pd2 N3 C14 C13 -176.1(9) . . . . ?
C11 C13 C14 N3 76.4(15) . . . . ?
C12 C13 C14 N3 -99.0(13) . . . . ?
C14 N3 C15 C20 102.7(14) . . . . ?
Pd2 N3 C15 C20 -21.0(14) . . . . ?
C14 N3 C15 C16 -71.9(14) . . . . ?
Pd2 N3 C15 C16 164.4(9) . . . . ?
C20 C15 C16 C17 -1.4(19) . . . . ?
N3 C15 C16 C17 173.0(12) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C17 C18 C19 4(3) . . . . ?
C17 C18 C19 C20 -6(2) . . . . ?
C16 C15 C20 C19 -1(2) . . . . ?
N3 C15 C20 C19 -175.4(12) . . . . ?
C16 C15 C20 N4 -173.1(11) . . . . ?
N3 C15 C20 N4 12.5(17) . . . . ?
C18 C19 C20 C15 4(2) . . . . ?
C18 C19 C20 N4 176.6(12) . . . . ?
C21 N4 C20 C15 -128.3(12) . . . . ?
Pd2 N4 C20 C15 2.7(13) . . . . ?
C21 N4 C20 C19 59.2(15) . . . . ?
Pd2 N4 C20 C19 -169.8(10) . . . . ?
C20 N4 C21 C22 78.8(14) . . . . ?
Pd2 N4 C21 C22 -48.1(14) . . . . ?
N4 C21 C22 C23 89.1(14) . . . . ?
N4 C21 C22 C24 -86.3(15) . . . . ?
C24 C22 C23 C25 0.8(18) . . . . ?
C21 C22 C23 C25 -174.7(11) . . . . ?
C23 C22 C24 C26 -1.0(18) . . . . ?
C21 C22 C24 C26 174.5(11) . . . . ?
C22 C23 C25 C27 0.0(19) . . . . ?
C22 C24 C26 C27 0.4(18) . . . . ?
C24 C26 C27 C25 0.4(19) . . . . ?
C24 C26 C27 C28 179.9(11) . . . . ?
C23 C25 C27 C26 -1(2) . . . . ?
C23 C25 C27 C28 179.9(11) . . . . ?
C26 C27 C28 N5 -96.8(14) . . . . ?
C25 C27 C28 N5 82.7(15) . . . . ?
C29 N5 C28 C27 74.0(14) . . . . ?
Pd3 N5 C28 C27 -165.4(10) . . . . ?
C28 N5 C29 C34 105.3(11) . . . . ?
Pd3 N5 C29 C34 -16.3(10) . . . . ?
C28 N5 C29 C30 -71.6(13) . . . . ?
Pd3 N5 C29 C30 166.8(8) . . . . ?
C34 C29 C30 C31 3.7(19) . . . . ?
N5 C29 C30 C31 -179.9(10) . . . . ?
C29 C30 C31 C32 -3(2) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C31 C32 C33 C34 3(2) . . . . ?
C30 C29 C34 N6 -176.3(11) . . . . ?
N5 C29 C34 N6 7.2(15) . . . . ?
C30 C29 C34 C33 -0.8(17) . . . . ?
N5 C29 C34 C33 -177.3(9) . . . . ?
C35 N6 C34 C29 -128.1(12) . . . . ?
Pd3 N6 C34 C29 6.0(13) . . . . ?
C35 N6 C34 C33 56.9(14) . . . . ?
Pd3 N6 C34 C33 -169.0(9) . . . . ?
C32 C33 C34 C29 -2.8(18) . . . . ?
C32 C33 C34 N6 172.5(12) . . . . ?
C34 N6 C35 C36 77.0(13) . . . . ?
Pd3 N6 C35 C36 -52.1(12) . . . . ?
N6 C35 C36 C37 99.7(14) . . . . ?
N6 C35 C36 C38 -80.3(15) . . . . ?
C38 C36 C37 C39 -2(2) . . . . ?
C35 C36 C37 C39 178.3(12) . . . . ?
C37 C36 C38 C40 1(2) . . . . ?
C35 C36 C38 C40 -179.1(12) . . . . ?
C36 C37 C39 C41 2(2) . . . . ?
C36 C38 C40 C41 0(2) . . . . ?
C38 C40 C41 C39 1(2) . . . . ?
C38 C40 C41 C42 173.3(13) . . . . ?
C37 C39 C41 C40 -2(2) . . . . ?
C37 C39 C41 C42 -174.1(12) . . . . ?
C40 C41 C42 N1 -91.7(15) . . . . ?
C39 C41 C42 N1 80.9(15) . . . . ?
C1 N1 C42 C41 69.4(13) . . . . ?
Pd1 N1 C42 C41 -169.4(8) . . . . ?
C84 N7 C43 C48 117.5(14) . . . . ?
Pd4 N7 C43 C48 -10.6(15) . . . . ?
C84 N7 C43 C44 -64.7(17) . . . . ?
Pd4 N7 C43 C44 167.2(11) . . . . ?
C48 C43 C44 C45 0(2) . . . . ?
N7 C43 C44 C45 -177.5(13) . . . . ?
C43 C44 C45 C46 2(2) . . . . ?
C44 C45 C46 C47 -2(2) . . . . ?
C45 C46 C47 C48 1(2) . . . . ?
C44 C43 C48 C47 -2(2) . . . . ?
N7 C43 C48 C47 176.0(11) . . . . ?
C44 C43 C48 N8 177.9(12) . . . . ?
N7 C43 C48 N8 -4.3(18) . . . . ?
C46 C47 C48 C43 1(2) . . . . ?
C46 C47 C48 N8 -178.4(12) . . . . ?
C49 N8 C48 C43 -106.0(13) . . . . ?
Pd4 N8 C48 C43 16.6(14) . . . . ?
C49 N8 C48 C47 73.7(14) . . . . ?
Pd4 N8 C48 C47 -163.6(10) . . . . ?
C48 N8 C49 C50 -64.0(14) . . . . ?
Pd4 N8 C49 C50 174.8(9) . . . . ?
N8 C49 C50 C52 104.9(14) . . . . ?
N8 C49 C50 C51 -75.5(16) . . . . ?
C52 C50 C51 C53 4(2) . . . . ?
C49 C50 C51 C53 -175.3(13) . . . . ?
C51 C50 C52 C54 -0.6(19) . . . . ?
C49 C50 C52 C54 179.0(11) . . . . ?
C50 C51 C53 C55 -4(2) . . . . ?
C50 C52 C54 C55 -3.3(19) . . . . ?
C52 C54 C55 C53 4(2) . . . . ?
C52 C54 C55 C56 175.8(11) . . . . ?
C51 C53 C55 C54 0(2) . . . . ?
C51 C53 C55 C56 -172.3(12) . . . . ?
C54 C55 C56 N9 97.6(15) . . . . ?
C53 C55 C56 N9 -90.4(15) . . . . ?
C57 N9 C56 C55 59.8(16) . . . . ?
Pd5 N9 C56 C55 -69.9(15) . . . . ?
C56 N9 C57 C58 60.1(17) . . . . ?
Pd5 N9 C57 C58 -165.4(11) . . . . ?
C56 N9 C57 C62 -112.6(12) . . . . ?
Pd5 N9 C57 C62 21.8(13) . . . . ?
N9 C57 C58 C59 -180.0(14) . . . . ?
C62 C57 C58 C59 -7(2) . . . . ?
C57 C58 C59 C60 4(3) . . . . ?
C58 C59 C60 C61 -1(2) . . . . ?
C59 C60 C61 C62 1(2) . . . . ?
C60 C61 C62 N10 -177.4(14) . . . . ?
C60 C61 C62 C57 -5(2) . . . . ?
C63 N10 C62 C61 -69.3(19) . . . . ?
Pd5 N10 C62 C61 159.7(14) . . . . ?
C63 N10 C62 C57 118.1(13) . . . . ?
Pd5 N10 C62 C57 -12.9(13) . . . . ?
N9 C57 C62 C61 -179.3(12) . . . . ?
C58 C57 C62 C61 6.9(18) . . . . ?
N9 C57 C62 N10 -5.6(16) . . . . ?
C58 C57 C62 N10 -179.3(12) . . . . ?
C62 N10 C63 C64 171.3(14) . . . . ?
Pd5 N10 C63 C64 -63.8(17) . . . . ?
N10 C63 C64 C65 -77(2) . . . . ?
N10 C63 C64 C66 95(2) . . . . ?
C66 C64 C65 C67 5(3) . . . . ?
C63 C64 C65 C67 178(2) . . . . ?
C65 C64 C66 C68 -5(3) . . . . ?
C63 C64 C66 C68 -178(2) . . . . ?
C64 C65 C67 C69 2(4) . . . . ?
C64 C66 C68 C69 -2(3) . . . . ?
C65 C67 C69 C68 -10(4) . . . . ?
C65 C67 C69 C70 174(2) . . . . ?
C66 C68 C69 C67 9(4) . . . . ?
C66 C68 C69 C70 -174(2) . . . . ?
C71 N11 C70 C69 -90(2) . . . . ?
Pd6 N11 C70 C69 35(3) . . . . ?
C67 C69 C70 N11 -83(3) . . . . ?
C68 C69 C70 N11 101(3) . . . . ?
C70 N11 C71 C72 -70(2) . . . . ?
Pd6 N11 C71 C72 158.6(12) . . . . ?
C70 N11 C71 C76 126.4(19) . . . . ?
Pd6 N11 C71 C76 -5.4(16) . . . . ?
C76 C71 C72 C73 -2.7(18) . . . . ?
N11 C71 C72 C73 -165.9(17) . . . . ?
C71 C72 C73 C74 1.8(18) . . . . ?
C72 C73 C74 C75 -0.3(18) . . . . ?
C73 C74 C75 C76 -0.4(18) . . . . ?
C74 C75 C76 N12 177.9(17) . . . . ?
C74 C75 C76 C71 -0.5(18) . . . . ?
C77 N12 C76 C75 81(2) . . . . ?
Pd6 N12 C76 C75 -156.3(12) . . . . ?
C77 N12 C76 C71 -100.7(19) . . . . ?
Pd6 N12 C76 C71 22.1(18) . . . . ?
C72 C71 C76 C75 2.0(18) . . . . ?
N11 C71 C76 C75 166.7(15) . . . . ?
C72 C71 C76 N12 -176.5(16) . . . . ?
N11 C71 C76 N12 -11.8(19) . . . . ?
C76 N12 C77 C78 -60(3) . . . . ?
Pd6 N12 C77 C78 178.2(16) . . . . ?
N12 C77 C78 C79 -80(3) . . . . ?
N12 C77 C78 C80 97(2) . . . . ?
C80 C78 C79 C81 2(3) . . . . ?
C77 C78 C79 C81 179.3(14) . . . . ?
C79 C78 C80 C82 -2(3) . . . . ?
C77 C78 C80 C82 -179.4(14) . . . . ?
C78 C79 C81 C83 -1(2) . . . . ?
C78 C80 C82 C83 1(2) . . . . ?
C80 C82 C83 C81 1(2) . . . . ?
C80 C82 C83 C84 177.9(14) . . . . ?
C79 C81 C83 C82 -1(2) . . . . ?
C79 C81 C83 C84 -178.2(13) . . . . ?
C82 C83 C84 N7 92.1(18) . . . . ?
C81 C83 C84 N7 -90.6(16) . . . . ?
C43 N7 C84 C83 -73.9(17) . . . . ?
Pd4 N7 C84 C83 50.8(16) . . . . ?
C6G C1G C2G O1G 178.7(19) . . . . ?
C7G C1G C2G O1G -2(3) . . . . ?
C6G C1G C2G C3G 6(3) . . . . ?
C7G C1G C2G C3G -175.0(19) . . . . ?
C1G C2G C3G C4G -7(3) . . . . ?
O1G C2G C3G C4G 179.3(17) . . . . ?
C2G C3G C4G C5G 3(3) . . . . ?
C3G C4G C5G C6G 2(3) . . . . ?
C2G C1G C6G C5G 0(3) . . . . ?
C7G C1G C6G C5G -180(2) . . . . ?
C4G C5G C6G C1G -3(4) . . . . ?
C2G C1G C7G O2G -4(3) . . . . ?
C6G C1G C7G O2G 175(2) . . . . ?
C2G C1G C7G C8G -177(2) . . . . ?
C6G C1G C7G C8G 2(3) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl2 . . 3_765 3.279(11) 1.000 2.329 158.1 no
N2 H2N Cl8 . . 3_765 3.229(10) 1.000 2.361 144.7 no
N3 H3N Cl3 . . 3_665 3.230(10) 1.000 2.323 150.4 no
N4 H4N N1S . . 3_665 2.945(16) 1.000 2.080 143.7 no
N5 H5N Cl4 . . 3_666 3.283(10) 1.000 2.452 140.2 no
N6 H6N Cl2 . . 1_556 3.112(9) 1.000 2.145 162.3 no
N8 H8N Cl1 . . . 3.295(10) 1.000 2.318 165.4 no
N9 H9N O2W^b . . 1_554 2.782 1.000 1.785 174.8 no
N10 H10N Cl11 . . 4_575 3.181(15) 1.000 2.297 146.7 no
N11 H11N Cl10 . . 4_576 3.16(2) 1.000 2.214 156.5 no
N12 H12N O1W . . . 2.97(3) 1.000 1.983 168.9 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# 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_mannose@MMF
_database_code_depnum_ccdc_archive 'CCDC 1974242'
loop_
_audit_author_name
_audit_author_address
'Shohei Tashiro'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C86.9 H86.8 Cl12 N12 O10.13 Pd6'
_chemical_formula_moiety         
'2(C42 H42 Cl6 N6 Pd3), 0.401(C6 H7 O6), 0.5(C O), 7.224(O)'
_chemical_formula_weight         2525.23
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
_space_group_IT_number           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.1814(3)
_cell_length_b                   52.5455(10)
_cell_length_c                   19.8435(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.1321(7)
_cell_angle_gamma                90.0000
_cell_volume                     14783.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    111430
_cell_measurement_theta_min      1.63
_cell_measurement_theta_max      27.54
_cell_measurement_temperature    95
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.080
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5012.96
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_T_max  0.925

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      95
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            145572
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.513
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -67
_diffrn_reflns_limit_k_max       68
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             67276
_reflns_number_gt                49578
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.966
_reflns_Friedel_fraction_max     0.985
_reflns_Friedel_fraction_full    0.995

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0698
_refine_ls_wR_factor_ref         0.2227
_refine_ls_wR_factor_gt          0.2015
_refine_ls_number_restraints     264
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         67276
_refine_ls_number_parameters     2189
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1532P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.30
_refine_diff_density_min         -1.32
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 18528 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.036(11)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.75955(5) 0.68206(2) 0.58824(4) 0.03414(16) Uani 1 1 d . . . . .
Pd2 Pd 0.57883(6) 0.68104(2) 1.03488(4) 0.0513(2) Uani 1 1 d . . . . .
Pd3 Pd 0.14620(5) 0.71522(2) 0.72437(4) 0.03911(18) Uani 1 1 d . . . . .
Cl1 Cl 0.73826(16) 0.72589(5) 0.58811(13) 0.0392(5) Uani 1 1 d . . . . .
Cl2 Cl 0.92143(15) 0.68498(5) 0.57959(13) 0.0413(5) Uani 1 1 d . . . . .
Cl3 Cl 0.6369(2) 0.71986(7) 1.00137(18) 0.0614(8) Uani 1 1 d . . . . .
Cl4 Cl 0.5084(2) 0.69826(8) 1.12833(17) 0.0668(9) Uani 1 1 d . . . . .
Cl5 Cl 0.18295(19) 0.74680(6) 0.80122(15) 0.0506(7) Uani 1 1 d . . . . .
Cl6 Cl 0.1076(2) 0.74392(6) 0.64130(16) 0.0532(7) Uani 1 1 d . . . . .
N1 N 0.6190(5) 0.67599(16) 0.5820(4) 0.0353(18) Uani 1 1 d . . . . .
H1N H 0.592698 0.686808 0.544706 0.042 Uiso 1 1 calc R U . . .
N2 N 0.7695(6) 0.64344(18) 0.5948(5) 0.041(2) Uani 1 1 d . . . . .
H2N H 0.815809 0.638044 0.560234 0.049 Uiso 1 1 calc R U . . .
N3 N 0.6445(7) 0.6632(2) 0.9555(5) 0.053(2) Uani 1 1 d . . . . .
H3N H 0.711887 0.668810 0.955170 0.063 Uiso 1 1 calc R U . . .
N4 N 0.5323(7) 0.6457(2) 1.0578(5) 0.060(3) Uani 1 1 d . . . . .
H4N H 0.551640 0.642256 1.105717 0.072 Uiso 1 1 calc R U . . .
N5 N 0.1807(6) 0.68784(18) 0.7937(4) 0.040(2) Uani 1 1 d . . . . .
H5N H 0.152669 0.692599 0.837830 0.048 Uiso 1 1 calc R U . . .
N6 N 0.1089(5) 0.68503(18) 0.6644(4) 0.0381(19) Uani 1 1 d . . . . .
H6N H 0.041580 0.688148 0.650787 0.046 Uiso 1 1 calc R U . . .
C1 C 0.6048(6) 0.6490(2) 0.5630(5) 0.038(2) Uani 1 1 d D . . . .
C2 C 0.5194(7) 0.6408(2) 0.5320(6) 0.048(3) Uani 1 1 d D . . . .
H2 H 0.469661 0.652365 0.521605 0.057 Uiso 1 1 calc R U . . .
C3 C 0.5120(8) 0.6147(2) 0.5176(6) 0.047(3) Uani 1 1 d D . . . .
H3 H 0.456009 0.608452 0.496521 0.056 Uiso 1 1 calc R U . . .
C4 C 0.5835(8) 0.5982(2) 0.5331(7) 0.057(3) Uani 1 1 d D . . . .
H4 H 0.574652 0.580487 0.525743 0.068 Uiso 1 1 calc R U . . .
C5 C 0.6675(8) 0.6069(2) 0.5590(6) 0.049(3) Uani 1 1 d D . . . .
H5 H 0.718596 0.595509 0.566970 0.059 Uiso 1 1 calc R U . . .
C6 C 0.6768(7) 0.6327(2) 0.5734(5) 0.041(2) Uani 1 1 d D . . . .
C7 C 0.8079(7) 0.6342(2) 0.6619(6) 0.044(2) Uani 1 1 d . . . . .
H7A H 0.809502 0.615376 0.661561 0.053 Uiso 1 1 calc R U . . .
H7B H 0.873587 0.640337 0.667860 0.053 Uiso 1 1 calc R U . . .
C8 C 0.7523(7) 0.6428(2) 0.7194(5) 0.041(2) Uani 1 1 d . . . . .
C9 C 0.7815(7) 0.6658(2) 0.7541(6) 0.044(2) Uani 1 1 d . . . . .
H9 H 0.835457 0.674817 0.739728 0.053 Uiso 1 1 calc R U . . .
C10 C 0.6700(8) 0.6308(2) 0.7410(6) 0.047(3) Uani 1 1 d . . . . .
H10 H 0.648172 0.615899 0.718438 0.056 Uiso 1 1 calc R U . . .
C11 C 0.7311(8) 0.6745(2) 0.8079(6) 0.046(3) Uani 1 1 d . . . . .
H11 H 0.752803 0.689242 0.831131 0.055 Uiso 1 1 calc R U . . .
C12 C 0.6203(7) 0.6402(3) 0.7946(6) 0.051(3) Uani 1 1 d . . . . .
H12 H 0.565245 0.631426 0.808265 0.061 Uiso 1 1 calc R U . . .
C13 C 0.6480(8) 0.6623(2) 0.8298(6) 0.048(3) Uani 1 1 d . . . . .
C14 C 0.5960(7) 0.6718(3) 0.8889(5) 0.048(3) Uani 1 1 d . . . . .
H14A H 0.530480 0.665332 0.887015 0.058 Uiso 1 1 calc R U . . .
H14B H 0.593393 0.690663 0.887489 0.058 Uiso 1 1 calc R U . . .
C15 C 0.6417(8) 0.6367(3) 0.9723(8) 0.060(4) Uani 1 1 d . . . . .
C16 C 0.7035(11) 0.6193(3) 0.9332(7) 0.069(4) Uani 1 1 d . . . . .
H16 H 0.742424 0.625454 0.898372 0.083 Uiso 1 1 calc R U . . .
C17 C 0.7009(12) 0.5946(3) 0.9501(10) 0.085(5) Uani 1 1 d . . . . .
H17 H 0.743798 0.583323 0.929186 0.102 Uiso 1 1 calc R U . . .
C18 C 0.6398(15) 0.5847(4) 0.9958(10) 0.094(6) Uani 1 1 d . . . . .
H18 H 0.637769 0.566998 1.004912 0.113 Uiso 1 1 calc R U . . .
C19 C 0.5790(11) 0.6021(3) 1.0294(9) 0.077(4) Uani 1 1 d . . . . .
H19 H 0.535583 0.596145 1.061624 0.092 Uiso 1 1 calc R U . . .
C20 C 0.5842(10) 0.6272(3) 1.0148(7) 0.062(3) Uani 1 1 d . . . . .
C21 C 0.4273(9) 0.6424(3) 1.0528(6) 0.059(3) Uani 1 1 d . . . . .
H21A H 0.411815 0.624088 1.056446 0.071 Uiso 1 1 calc R U . . .
H21B H 0.397766 0.651335 1.090920 0.071 Uiso 1 1 calc R U . . .
C22 C 0.3879(8) 0.6524(3) 0.9887(7) 0.057(3) Uani 1 1 d . . . . .
C23 C 0.3589(8) 0.6786(3) 0.9852(6) 0.057(3) Uani 1 1 d . . . . .
H23 H 0.362944 0.688826 1.024560 0.068 Uiso 1 1 calc R U . . .
C24 C 0.3805(8) 0.6379(3) 0.9291(7) 0.056(3) Uani 1 1 d . . . . .
H24 H 0.397662 0.620404 0.929713 0.067 Uiso 1 1 calc R U . . .
C25 C 0.3262(8) 0.6888(3) 0.9273(7) 0.054(3) Uani 1 1 d . . . . .
H25 H 0.306367 0.706067 0.926697 0.065 Uiso 1 1 calc R U . . .
C26 C 0.3486(8) 0.6489(3) 0.8702(7) 0.053(3) Uani 1 1 d . . . . .
H26 H 0.345566 0.638806 0.830498 0.063 Uiso 1 1 calc R U . . .
C27 C 0.3205(7) 0.6742(2) 0.8665(6) 0.045(3) Uani 1 1 d . . . . .
C28 C 0.2869(7) 0.6865(2) 0.8027(6) 0.044(2) Uani 1 1 d . . . . .
H28A H 0.312955 0.677028 0.764199 0.053 Uiso 1 1 calc R U . . .
H28B H 0.312471 0.704030 0.801150 0.053 Uiso 1 1 calc R U . . .
C29 C 0.1348(5) 0.6618(2) 0.7689(5) 0.034(2) Uani 1 1 d . . . . .
C30 C 0.1314(8) 0.6427(3) 0.8141(7) 0.057(3) Uani 1 1 d . . . . .
H30 H 0.151156 0.644519 0.859903 0.068 Uiso 1 1 calc R U . . .
C31 C 0.0961(9) 0.6198(3) 0.7876(8) 0.066(4) Uani 1 1 d . . . . .
H31 H 0.094063 0.604988 0.814959 0.079 Uiso 1 1 calc R U . . .
C32 C 0.0637(8) 0.6189(2) 0.7204(7) 0.050(3) Uani 1 1 d . . . . .
H32 H 0.037801 0.603493 0.702910 0.060 Uiso 1 1 calc R U . . .
C33 C 0.0690(8) 0.6399(3) 0.6799(7) 0.055(3) Uani 1 1 d . . . . .
H33 H 0.046797 0.639114 0.634431 0.065 Uiso 1 1 calc R U . . .
C34 C 0.1074(7) 0.6625(2) 0.7058(6) 0.042(2) Uani 1 1 d . . . . .
C35 C 0.1606(6) 0.6824(3) 0.5996(5) 0.043(2) Uani 1 1 d . . . . .
H35A H 0.144363 0.696890 0.569763 0.052 Uiso 1 1 calc R U . . .
H35B H 0.140211 0.666550 0.576603 0.052 Uiso 1 1 calc R U . . .
C36 C 0.2677(6) 0.6817(2) 0.6115(5) 0.038(2) Uani 1 1 d . . . . .
C37 C 0.3192(7) 0.7025(2) 0.5941(5) 0.041(2) Uani 1 1 d . . . . .
H37 H 0.289018 0.716828 0.574075 0.049 Uiso 1 1 calc R U . . .
C38 C 0.3130(7) 0.6605(2) 0.6394(6) 0.042(2) Uani 1 1 d . . . . .
H38 H 0.277615 0.645567 0.648189 0.050 Uiso 1 1 calc R U . . .
C39 C 0.4159(7) 0.7026(2) 0.6058(5) 0.040(2) Uani 1 1 d . . . . .
H39 H 0.451591 0.717027 0.592578 0.048 Uiso 1 1 calc R U . . .
C40 C 0.4082(7) 0.6609(2) 0.6544(6) 0.043(2) Uani 1 1 d . . . . .
H40 H 0.437513 0.646964 0.676813 0.051 Uiso 1 1 calc R U . . .
C41 C 0.4614(6) 0.6824(2) 0.6362(5) 0.039(2) Uani 1 1 d . . . . .
C42 C 0.5683(6) 0.6830(2) 0.6466(5) 0.038(2) Uani 1 1 d . . . . .
H42A H 0.586618 0.670923 0.682816 0.046 Uiso 1 1 calc R U . . .
H42B H 0.587891 0.700286 0.661172 0.046 Uiso 1 1 calc R U . . .
Pd4 Pd 0.46329(5) 0.76902(2) 0.57314(5) 0.0443(2) Uani 1 1 d . . . . .
Pd5 Pd 0.97738(8) 0.85698(2) 0.80631(6) 0.0582(3) Uani 1 1 d . . . . .
Pd6 Pd 0.51617(9) 0.93946(2) 0.65646(9) 0.0843(4) Uani 1 1 d . . . . .
Cl7 Cl 0.3226(2) 0.76669(6) 0.51229(18) 0.0578(7) Uani 1 1 d . . . . .
Cl8 Cl 0.55121(19) 0.77647(6) 0.47884(16) 0.0530(7) Uani 1 1 d . . . . .
Cl9 Cl 1.0102(5) 0.84477(9) 0.9149(2) 0.0990(15) Uani 1 1 d . . . . .
Cl10 Cl 0.9369(3) 0.89741(7) 0.8412(2) 0.0785(11) Uani 1 1 d . . . . .
Cl11 Cl 0.5917(3) 0.97828(8) 0.6535(4) 0.107(2) Uani 1 1 d . . . . .
Cl12 Cl 0.5167(5) 0.93529(14) 0.5409(4) 0.129(2) Uani 1 1 d . . . . .
N7 N 0.3946(6) 0.76384(18) 0.6627(5) 0.046(2) Uani 1 1 d D . . . .
H7N H 0.353112 0.748614 0.656123 0.056 Uiso 1 1 calc R U . . .
N8 N 0.5826(6) 0.76982(17) 0.6316(5) 0.0406(19) Uani 1 1 d D . . . .
H8N H 0.631121 0.759032 0.609431 0.049 Uiso 1 1 calc R U . . .
N9 N 1.0318(7) 0.82396(19) 0.7730(6) 0.056(3) Uani 1 1 d D . . . .
H9N H 1.094692 0.822132 0.796171 0.068 Uiso 1 1 calc R U . . .
N10 N 0.9502(7) 0.8648(2) 0.7064(6) 0.059(3) Uani 1 1 d D . . . .
H10N H 0.972707 0.882470 0.697507 0.070 Uiso 1 1 calc R U . . .
N11 N 0.5055(9) 0.9391(2) 0.7503(10) 0.103(4) Uani 1 1 d D U . . .
H11N H 0.477776 0.956216 0.759634 0.124 Uiso 1 1 calc R U . . .
N12 N 0.4458(9) 0.9061(2) 0.6661(9) 0.087(4) Uani 1 1 d D U . . .
H12N H 0.394527 0.905108 0.630874 0.104 Uiso 1 1 calc R U . . .
C43 C 0.4652(7) 0.7567(2) 0.7147(7) 0.045(3) Uani 1 1 d . . . . .
C44 C 0.4390(8) 0.7479(3) 0.7773(8) 0.058(3) Uani 1 1 d . . . . .
H44 H 0.374743 0.747969 0.789968 0.070 Uiso 1 1 calc R U . . .
C45 C 0.5095(9) 0.7387(3) 0.8217(8) 0.062(4) Uani 1 1 d . . . . .
H45 H 0.492518 0.731829 0.863982 0.075 Uiso 1 1 calc R U . . .
C46 C 0.6051(9) 0.7397(2) 0.8043(7) 0.053(3) Uani 1 1 d . . . . .
H46 H 0.652078 0.733615 0.834961 0.063 Uiso 1 1 calc R U . . .
C47 C 0.6310(8) 0.7495(2) 0.7429(7) 0.047(3) Uani 1 1 d . . . . .
H47 H 0.695708 0.750293 0.731546 0.056 Uiso 1 1 calc R U . . .
C48 C 0.5614(7) 0.7583(2) 0.6970(6) 0.043(2) Uani 1 1 d . . . . .
C49 C 0.6210(7) 0.79633(19) 0.6377(6) 0.042(2) Uani 1 1 d D . . . .
H49A H 0.574297 0.807116 0.660657 0.050 Uiso 1 1 calc R U . . .
H49B H 0.629638 0.803361 0.591939 0.050 Uiso 1 1 calc R U . . .
C50 C 0.7145(7) 0.7978(2) 0.6765(6) 0.041(2) Uani 1 1 d D . . . .
C51 C 0.7954(7) 0.7901(2) 0.6459(6) 0.044(2) Uani 1 1 d . . . . .
H51 H 0.792755 0.784389 0.600516 0.053 Uiso 1 1 calc R U . . .
C52 C 0.7172(8) 0.8058(2) 0.7434(6) 0.047(3) Uani 1 1 d . . . . .
H52 H 0.660933 0.810642 0.765290 0.056 Uiso 1 1 calc R U . . .
C53 C 0.8809(7) 0.7906(2) 0.6804(7) 0.047(3) Uani 1 1 d . . . . .
H53 H 0.936822 0.785366 0.658762 0.056 Uiso 1 1 calc R U . . .
C54 C 0.8046(9) 0.8067(2) 0.7779(6) 0.048(3) Uani 1 1 d . . . . .
H54 H 0.808116 0.812845 0.822900 0.057 Uiso 1 1 calc R U . . .
C55 C 0.8848(8) 0.7988(2) 0.7468(7) 0.048(3) Uani 1 1 d D . . . .
C56 C 0.9777(9) 0.7992(2) 0.7877(8) 0.062(4) Uani 1 1 d D . . . .
H56A H 1.016690 0.784365 0.775507 0.075 Uiso 1 1 calc R U . . .
H56B H 0.964374 0.798187 0.836370 0.075 Uiso 1 1 calc R U . . .
C57 C 1.0514(8) 0.8271(2) 0.7001(8) 0.054(3) Uani 1 1 d . U . . .
C58 C 1.1099(8) 0.8107(3) 0.6656(8) 0.063(3) Uani 1 1 d . U . . .
H58 H 1.139773 0.796911 0.688510 0.076 Uiso 1 1 calc R U . . .
C59 C 1.1247(9) 0.8145(3) 0.5972(9) 0.067(3) Uani 1 1 d . U . . .
H59 H 1.164950 0.803355 0.573366 0.080 Uiso 1 1 calc R U . . .
C60 C 1.0821(10) 0.8339(3) 0.5649(9) 0.069(3) Uani 1 1 d . U . . .
H60 H 1.092471 0.836597 0.518331 0.082 Uiso 1 1 calc R U . . .
C61 C 1.0212(10) 0.8505(3) 0.6008(8) 0.062(3) Uani 1 1 d . U . . .
H61 H 0.985349 0.863110 0.577521 0.075 Uiso 1 1 calc R U . . .
C62 C 1.0145(6) 0.84765(17) 0.6757(6) 0.041(2) Uani 1 1 d . U . . .
C63 C 0.8486(8) 0.8631(2) 0.6821(8) 0.060(3) Uani 1 1 d D . . . .
H63A H 0.845580 0.865944 0.632772 0.072 Uiso 1 1 calc R U . . .
H63B H 0.824312 0.845775 0.690995 0.072 Uiso 1 1 calc R U . . .
C64 C 0.7870(10) 0.8823(3) 0.7162(8) 0.063(3) Uani 1 1 d D . . . .
C65 C 0.7853(10) 0.9074(3) 0.6892(10) 0.073(4) Uani 1 1 d . . . . .
H65 H 0.821443 0.911754 0.651053 0.087 Uiso 1 1 calc R U . . .
C66 C 0.7277(11) 0.8763(3) 0.7696(9) 0.069(4) Uani 1 1 d . . . . .
H66 H 0.726577 0.859490 0.787201 0.083 Uiso 1 1 calc R U . . .
C67 C 0.7278(11) 0.9259(3) 0.7210(10) 0.079(5) Uani 1 1 d . . . . .
H67 H 0.731795 0.943148 0.707117 0.094 Uiso 1 1 calc R U . . .
C68 C 0.6712(12) 0.8948(3) 0.7966(9) 0.077(4) Uani 1 1 d . . . . .
H68 H 0.633630 0.890562 0.834106 0.092 Uiso 1 1 calc R U . . .
C69 C 0.6667(12) 0.9195(3) 0.7711(10) 0.078(5) Uani 1 1 d D . . . .
C70 C 0.5964(11) 0.9396(3) 0.7932(12) 0.107(8) Uani 1 1 d D . . . .
H70A H 0.625752 0.956589 0.789843 0.129 Uiso 1 1 calc R U . . .
H70B H 0.580779 0.936617 0.840935 0.129 Uiso 1 1 calc R U . . .
C71 C 0.4395(13) 0.9225(3) 0.7796(13) 0.094(4) Uani 1 1 d . U . . .
C72 C 0.3997(14) 0.9237(4) 0.8409(13) 0.104(4) Uani 1 1 d . U . . .
H72 H 0.423198 0.935632 0.873041 0.125 Uiso 1 1 calc R U . . .
C73 C 0.3263(16) 0.9081(4) 0.8578(14) 0.113(5) Uani 1 1 d . U . . .
H73 H 0.301224 0.908424 0.901797 0.135 Uiso 1 1 calc R U . . .
C74 C 0.2885(15) 0.8914(4) 0.8073(13) 0.105(4) Uani 1 1 d . U . . .
H74 H 0.235411 0.881150 0.817409 0.126 Uiso 1 1 calc R U . . .
C75 C 0.3273(13) 0.8898(3) 0.7439(13) 0.094(4) Uani 1 1 d . U . . .
H75 H 0.303008 0.878871 0.709568 0.113 Uiso 1 1 calc R U . . .
C76 C 0.4027(12) 0.9051(3) 0.7350(12) 0.089(3) Uani 1 1 d . U . . .
C77 C 0.5192(10) 0.8841(2) 0.6539(10) 0.080(5) Uani 1 1 d D . . . .
H77A H 0.543788 0.885279 0.607686 0.096 Uiso 1 1 calc R U . . .
H77B H 0.572929 0.885665 0.686271 0.096 Uiso 1 1 calc R U . . .
C78 C 0.4693(8) 0.8583(2) 0.6636(8) 0.056(3) Uani 1 1 d D . . . .
C79 C 0.4223(9) 0.8475(3) 0.6084(9) 0.063(4) Uani 1 1 d . . . . .
H79 H 0.419356 0.856177 0.566416 0.075 Uiso 1 1 calc R U . . .
C80 C 0.4741(9) 0.8457(2) 0.7246(8) 0.057(3) Uani 1 1 d . . . . .
H80 H 0.507683 0.852947 0.761840 0.068 Uiso 1 1 calc R U . . .
C81 C 0.3788(8) 0.8234(3) 0.6160(8) 0.058(3) Uani 1 1 d . . . . .
H81 H 0.348713 0.815662 0.577995 0.070 Uiso 1 1 calc R U . . .
C82 C 0.4291(9) 0.8224(3) 0.7310(8) 0.060(3) Uani 1 1 d . . . . .
H82 H 0.431669 0.813654 0.772985 0.072 Uiso 1 1 calc R U . . .
C83 C 0.3792(7) 0.8114(2) 0.6751(7) 0.049(3) Uani 1 1 d D . . . .
C84 C 0.3301(8) 0.7856(2) 0.6822(7) 0.054(3) Uani 1 1 d D . . . .
H84A H 0.310427 0.783286 0.729401 0.064 Uiso 1 1 calc R U . . .
H84B H 0.272685 0.785272 0.652974 0.064 Uiso 1 1 calc R U . . .
Pd7 Pd 0.73460(4) 0.70396(2) 0.42809(4) 0.03379(16) Uani 1 1 d . . . . .
Pd8 Pd 0.91526(6) 0.70539(2) -0.02000(4) 0.0471(2) Uani 1 1 d . . . . .
Pd9 Pd 1.34787(5) 0.67104(2) 0.29089(4) 0.04030(19) Uani 1 1 d . . . . .
Cl13 Cl 0.75672(16) 0.66001(5) 0.42834(13) 0.0396(5) Uani 1 1 d . . . . .
Cl14 Cl 0.57257(15) 0.70122(5) 0.43677(13) 0.0417(5) Uani 1 1 d . . . . .
Cl15 Cl 0.8566(2) 0.66641(7) 0.01340(17) 0.0571(7) Uani 1 1 d . . . . .
Cl16 Cl 0.9872(2) 0.68880(7) -0.11412(16) 0.0590(8) Uani 1 1 d . . . . .
Cl17 Cl 1.3136(2) 0.63970(6) 0.21267(16) 0.0572(8) Uani 1 1 d . . . . .
Cl18 Cl 1.3818(2) 0.64207(6) 0.37421(17) 0.0559(7) Uani 1 1 d . . . . .
N13 N 0.8768(5) 0.71012(18) 0.4332(4) 0.040(2) Uani 1 1 d . . . . .
H13N H 0.903408 0.699241 0.470326 0.049 Uiso 1 1 calc R U . . .
N14 N 0.7235(5) 0.74272(18) 0.4212(4) 0.0384(19) Uani 1 1 d . . . . .
H14N H 0.676601 0.748144 0.455353 0.046 Uiso 1 1 calc R U . . .
N15 N 0.8525(7) 0.7224(2) 0.0592(5) 0.049(2) Uani 1 1 d . . . . .
H15N H 0.785009 0.716889 0.059540 0.059 Uiso 1 1 calc R U . . .
N16 N 0.9593(7) 0.7413(2) -0.0413(5) 0.053(2) Uani 1 1 d . . . . .
H16N H 0.938237 0.744859 -0.088768 0.063 Uiso 1 1 calc R U . . .
N17 N 1.3155(6) 0.69857(18) 0.2211(5) 0.041(2) Uani 1 1 d . . . . .
H17N H 1.344083 0.693828 0.177139 0.049 Uiso 1 1 calc R U . . .
N18 N 1.3844(5) 0.70125(19) 0.3516(5) 0.041(2) Uani 1 1 d . . . . .
H18N H 1.451419 0.697945 0.365487 0.049 Uiso 1 1 calc R U . . .
C85 C 0.8899(7) 0.7369(2) 0.4533(5) 0.038(2) Uani 1 1 d . . . . .
C86 C 0.9731(6) 0.7459(2) 0.4826(5) 0.040(2) Uani 1 1 d . . . . .
H86 H 1.023521 0.734345 0.491402 0.048 Uiso 1 1 calc R U . . .
C87 C 0.9836(8) 0.7711(3) 0.4993(6) 0.050(3) Uani 1 1 d . . . . .
H87 H 1.039725 0.776932 0.521252 0.061 Uiso 1 1 calc R U . . .
C88 C 0.9116(9) 0.7881(3) 0.4836(6) 0.053(3) Uani 1 1 d . . . . .
H88 H 0.920691 0.805772 0.490818 0.063 Uiso 1 1 calc R U . . .
C89 C 0.8237(8) 0.7790(2) 0.4566(6) 0.047(3) Uani 1 1 d . . . . .
H89 H 0.772343 0.790338 0.448668 0.056 Uiso 1 1 calc R U . . .
C90 C 0.8156(6) 0.7538(2) 0.4424(5) 0.036(2) Uani 1 1 d . . . . .
C91 C 0.6883(7) 0.7527(2) 0.3536(5) 0.040(2) Uani 1 1 d . . . . .
H91A H 0.621255 0.747845 0.346964 0.048 Uiso 1 1 calc R U . . .
H91B H 0.691978 0.771486 0.353606 0.048 Uiso 1 1 calc R U . . .
C92 C 0.7434(7) 0.7426(2) 0.2968(5) 0.041(2) Uani 1 1 d . . . . .
C93 C 0.7130(7) 0.7210(3) 0.2616(5) 0.046(3) Uani 1 1 d . . . . .
H93 H 0.657019 0.712580 0.274748 0.056 Uiso 1 1 calc R U . . .
C94 C 0.8233(8) 0.7550(2) 0.2746(6) 0.046(3) Uani 1 1 d . . . . .
H94 H 0.842907 0.770317 0.296161 0.055 Uiso 1 1 calc R U . . .
C95 C 0.7646(8) 0.7114(3) 0.2064(6) 0.048(3) Uani 1 1 d . . . . .
H95 H 0.744197 0.696548 0.183174 0.057 Uiso 1 1 calc R U . . .
C96 C 0.8754(8) 0.7455(3) 0.2215(6) 0.051(3) Uani 1 1 d . . . . .
H96 H 0.932057 0.753722 0.208896 0.062 Uiso 1 1 calc R U . . .
C97 C 0.8447(7) 0.7241(2) 0.1870(6) 0.042(2) Uani 1 1 d . . . . .
C98 C 0.8985(9) 0.7146(3) 0.1250(5) 0.053(3) Uani 1 1 d . . . . .
H98A H 0.963605 0.721346 0.127093 0.064 Uiso 1 1 calc R U . . .
H98B H 0.902395 0.695775 0.126696 0.064 Uiso 1 1 calc R U . . .
C99 C 0.8549(10) 0.7497(3) 0.0432(8) 0.056(3) Uani 1 1 d . . . . .
C100 C 0.7951(13) 0.7666(3) 0.0831(8) 0.079(5) Uani 1 1 d . . . . .
H100 H 0.757017 0.760292 0.118184 0.095 Uiso 1 1 calc R U . . .
C101 C 0.7971(18) 0.7916(4) 0.0675(10) 0.107(7) Uani 1 1 d . . . . .
H101 H 0.756127 0.803004 0.089724 0.129 Uiso 1 1 calc R U . . .
C102 C 0.8566(19) 0.8005(4) 0.0207(11) 0.111(7) Uani 1 1 d . . . . .
H102 H 0.859612 0.818403 0.013583 0.133 Uiso 1 1 calc R U . . .
C103 C 0.9078(15) 0.7865(3) -0.0137(9) 0.082(5) Uani 1 1 d . . . . .
H103 H 0.947161 0.793212 -0.047561 0.099 Uiso 1 1 calc R U . . .
C104 C 0.9041(13) 0.7578(3) 0.0014(8) 0.075(5) Uani 1 1 d . . . . .
C105 C 1.0667(10) 0.7444(3) -0.0393(7) 0.067(4) Uani 1 1 d . . . . .
H10A H 1.083296 0.762622 -0.042929 0.080 Uiso 1 1 calc R U . . .
H10B H 1.094407 0.735295 -0.077923 0.080 Uiso 1 1 calc R U . . .
C106 C 1.1070(9) 0.7335(3) 0.0271(7) 0.059(3) Uani 1 1 d . . . . .
C107 C 1.1365(8) 0.7086(2) 0.0289(6) 0.050(3) Uani 1 1 d . . . . .
H107 H 1.134349 0.698579 -0.010996 0.060 Uiso 1 1 calc R U . . .
C108 C 1.1138(9) 0.7483(3) 0.0864(7) 0.058(3) Uani 1 1 d . . . . .
H108 H 1.094806 0.765685 0.085520 0.070 Uiso 1 1 calc R U . . .
C109 C 1.1702(8) 0.6979(3) 0.0903(6) 0.052(3) Uani 1 1 d . . . . .
H109 H 1.188986 0.680559 0.091651 0.062 Uiso 1 1 calc R U . . .
C110 C 1.1482(8) 0.7376(3) 0.1458(6) 0.052(3) Uani 1 1 d . . . . .
H110 H 1.152714 0.747747 0.185409 0.062 Uiso 1 1 calc R U . . .
C111 C 1.1759(7) 0.7124(2) 0.1482(5) 0.045(3) Uani 1 1 d . . . . .
C112 C 1.2071(8) 0.6996(3) 0.2117(6) 0.052(3) Uani 1 1 d . . . . .
H11A H 1.181965 0.682047 0.211951 0.062 Uiso 1 1 calc R U . . .
H11B H 1.180090 0.708783 0.250404 0.062 Uiso 1 1 calc R U . . .
C113 C 1.3599(6) 0.7251(2) 0.2462(5) 0.037(2) Uani 1 1 d . . . . .
C114 C 1.3675(9) 0.7430(3) 0.2037(7) 0.059(3) Uani 1 1 d . . . . .
H114 H 1.347971 0.741037 0.157887 0.070 Uiso 1 1 calc R U . . .
C115 C 1.4065(11) 0.7659(3) 0.2283(9) 0.073(4) Uani 1 1 d . . . . .
H115 H 1.414152 0.780165 0.199538 0.088 Uiso 1 1 calc R U . . .
C116 C 1.4339(9) 0.7670(3) 0.2975(7) 0.056(3) Uani 1 1 d . . . . .
H116 H 1.460065 0.782234 0.315595 0.067 Uiso 1 1 calc R U . . .
C117 C 1.4234(7) 0.7470(2) 0.3366(6) 0.049(3) Uani 1 1 d . . . . .
H117 H 1.440497 0.748323 0.382971 0.059 Uiso 1 1 calc R U . . .
C118 C 1.3878(7) 0.7239(2) 0.3117(6) 0.045(3) Uani 1 1 d . . . . .
C119 C 1.3325(7) 0.7038(2) 0.4170(5) 0.044(2) Uani 1 1 d . . . . .
H11C H 1.352327 0.719649 0.440075 0.053 Uiso 1 1 calc R U . . .
H11D H 1.349299 0.689287 0.446883 0.053 Uiso 1 1 calc R U . . .
C120 C 1.2268(7) 0.7042(2) 0.4051(5) 0.042(2) Uani 1 1 d . . . . .
C121 C 1.1744(6) 0.6837(2) 0.4221(5) 0.040(2) Uani 1 1 d . . . . .
H121 H 1.204971 0.669351 0.441763 0.048 Uiso 1 1 calc R U . . .
C122 C 1.1819(8) 0.7251(2) 0.3743(6) 0.046(3) Uani 1 1 d . . . . .
H122 H 1.216999 0.739649 0.361424 0.055 Uiso 1 1 calc R U . . .
C123 C 1.0772(7) 0.6832(2) 0.4117(5) 0.044(2) Uani 1 1 d . . . . .
H123 H 1.041615 0.668905 0.426034 0.053 Uiso 1 1 calc R U . . .
C124 C 1.0844(7) 0.7240(2) 0.3631(6) 0.043(2) Uani 1 1 d . . . . .
H124 H 1.053429 0.738167 0.342712 0.051 Uiso 1 1 calc R U . . .
C125 C 1.0326(6) 0.7036(2) 0.3803(5) 0.040(2) Uani 1 1 d . . . . .
C126 C 0.9248(6) 0.7030(2) 0.3703(5) 0.040(2) Uani 1 1 d . . . . .
H12A H 0.906062 0.714918 0.333837 0.048 Uiso 1 1 calc R U . . .
H12B H 0.904833 0.685645 0.356430 0.048 Uiso 1 1 calc R U . . .
Pd10 Pd 1.03351(5) 0.61677(2) 0.44500(5) 0.0483(2) Uani 1 1 d . . . . .
Pd11 Pd 0.51774(7) 0.53139(2) 0.20707(6) 0.0580(3) Uani 1 1 d . . . . .
Pd12 Pd 0.98392(10) 0.44605(2) 0.34240(9) 0.0855(4) Uani 1 1 d . . . . .
Cl19 Cl 1.1733(2) 0.61888(7) 0.50652(19) 0.0619(8) Uani 1 1 d . . . . .
Cl20 Cl 0.94364(19) 0.60947(6) 0.53823(17) 0.0566(7) Uani 1 1 d . . . . .
Cl21 Cl 0.4785(4) 0.54507(8) 0.1005(2) 0.0915(13) Uani 1 1 d . . . . .
Cl22 Cl 0.5623(3) 0.49211(7) 0.1666(2) 0.0739(10) Uani 1 1 d . . . . .
Cl23 Cl 0.9060(3) 0.40738(8) 0.3373(4) 0.110(2) Uani 1 1 d . . . . .
Cl24 Cl 0.9864(5) 0.44713(13) 0.4597(4) 0.126(2) Uani 1 1 d . . . . .
N19 N 1.1031(6) 0.62195(19) 0.3567(6) 0.053(3) Uani 1 1 d D . . . .
H19N H 1.145987 0.636853 0.364031 0.063 Uiso 1 1 calc R U . . .
N20 N 0.9143(6) 0.61650(17) 0.3839(5) 0.045(2) Uani 1 1 d D . . . .
H20N H 0.865586 0.627399 0.405417 0.054 Uiso 1 1 calc R U . . .
N21 N 0.4623(7) 0.56347(18) 0.2445(6) 0.056(3) Uani 1 1 d D . . . .
H21N H 0.399037 0.565523 0.221928 0.067 Uiso 1 1 calc R U . . .
N22 N 0.5512(7) 0.5224(2) 0.3063(6) 0.058(3) Uani 1 1 d D . . . .
H22N H 0.530698 0.504461 0.313975 0.070 Uiso 1 1 calc R U . . .
N23 N 0.9877(9) 0.4466(2) 0.2388(9) 0.086(5) Uani 1 1 d D . . . .
H23N H 1.013168 0.429636 0.225060 0.103 Uiso 1 1 calc R U . . .
N24 N 1.0520(9) 0.4797(2) 0.3393(8) 0.073(3) Uani 1 1 d D . . . .
H24N H 1.101809 0.479525 0.375648 0.088 Uiso 1 1 calc R U . . .
C127 C 1.0334(9) 0.6297(2) 0.3043(7) 0.056(3) Uani 1 1 d . . . . .
C128 C 1.0597(10) 0.6397(3) 0.2425(9) 0.074(4) Uani 1 1 d . . . . .
H128 H 1.124513 0.640391 0.231417 0.089 Uiso 1 1 calc R U . . .
C129 C 0.9935(11) 0.6487(3) 0.1977(9) 0.076(5) Uani 1 1 d . . . . .
H129 H 1.011488 0.654692 0.154704 0.091 Uiso 1 1 calc R U . . .
C130 C 0.8965(10) 0.6488(3) 0.2165(8) 0.064(4) Uani 1 1 d . . . . .
H130 H 0.850555 0.656473 0.187555 0.077 Uiso 1 1 calc R U . . .
C131 C 0.8699(8) 0.6381(2) 0.2749(6) 0.048(3) Uani 1 1 d . . . . .
H131 H 0.805076 0.637300 0.285842 0.058 Uiso 1 1 calc R U . . .
C132 C 0.9386(8) 0.6281(2) 0.3196(6) 0.047(3) Uani 1 1 d . . . . .
C133 C 0.8759(7) 0.5898(2) 0.3787(6) 0.044(2) Uani 1 1 d D . . . .
H13A H 0.866641 0.582866 0.424457 0.053 Uiso 1 1 calc R U . . .
H13B H 0.921931 0.578811 0.355623 0.053 Uiso 1 1 calc R U . . .
C134 C 0.7830(7) 0.5895(2) 0.3398(6) 0.046(3) Uani 1 1 d D . . . .
C135 C 0.7030(8) 0.5957(2) 0.3739(8) 0.055(3) Uani 1 1 d . . . . .
H135 H 0.705624 0.599431 0.420766 0.066 Uiso 1 1 calc R U . . .
C136 C 0.7779(8) 0.5829(2) 0.2709(6) 0.048(3) Uani 1 1 d . . . . .
H136 H 0.833460 0.578640 0.247330 0.057 Uiso 1 1 calc R U . . .
C137 C 0.6149(8) 0.5965(2) 0.3365(7) 0.051(3) Uani 1 1 d . . . . .
H137 H 0.560020 0.602404 0.358302 0.061 Uiso 1 1 calc R U . . .
C138 C 0.6918(9) 0.5826(2) 0.2387(6) 0.048(3) Uani 1 1 d . . . . .
H138 H 0.689062 0.577809 0.192498 0.057 Uiso 1 1 calc R U . . .
C139 C 0.6077(7) 0.5889(2) 0.2699(6) 0.045(3) Uani 1 1 d D . . . .
C140 C 0.5135(8) 0.5880(2) 0.2341(8) 0.060(3) Uani 1 1 d D . . . .
H14C H 0.473999 0.602186 0.250385 0.072 Uiso 1 1 calc R U . . .
H14D H 0.522738 0.590531 0.185261 0.072 Uiso 1 1 calc R U . . .
C141 C 0.4449(9) 0.5594(2) 0.3135(8) 0.065(3) Uani 1 1 d D U . . .
C142 C 0.3840(8) 0.5742(3) 0.3531(8) 0.073(3) Uani 1 1 d D U . . .
H142 H 0.351344 0.588251 0.333699 0.088 Uiso 1 1 calc R U . . .
C143 C 0.3720(9) 0.5680(3) 0.4202(9) 0.083(4) Uani 1 1 d D U . . .
H143 H 0.329996 0.577905 0.446211 0.100 Uiso 1 1 calc R U . . .
C144 C 0.4191(10) 0.5481(3) 0.4500(9) 0.082(3) Uani 1 1 d D U . . .
H144 H 0.413696 0.544677 0.496793 0.098 Uiso 1 1 calc R U . . .
C145 C 0.4746(11) 0.5334(3) 0.4095(9) 0.080(3) Uani 1 1 d D U . . .
H145 H 0.507519 0.519426 0.429399 0.096 Uiso 1 1 calc R U . . .
C146 C 0.4859(7) 0.5381(2) 0.3357(7) 0.056(3) Uani 1 1 d D U . . .
C147 C 0.6517(8) 0.5243(2) 0.3276(8) 0.059(3) Uani 1 1 d D . . . .
H14E H 0.656528 0.521688 0.376998 0.071 Uiso 1 1 calc R U . . .
H14F H 0.674583 0.541650 0.317875 0.071 Uiso 1 1 calc R U . . .
C148 C 0.7164(10) 0.5050(3) 0.2931(8) 0.064(4) Uani 1 1 d D . . . .
C149 C 0.7168(10) 0.4797(2) 0.3135(9) 0.065(4) Uani 1 1 d . . . . .
H149 H 0.675724 0.474309 0.347918 0.078 Uiso 1 1 calc R U . . .
C150 C 0.7725(10) 0.5114(3) 0.2404(9) 0.070(4) Uani 1 1 d . . . . .
H150 H 0.770377 0.528539 0.224950 0.085 Uiso 1 1 calc R U . . .
C151 C 0.7743(11) 0.4630(3) 0.2853(11) 0.084(6) Uani 1 1 d . . . . .
H151 H 0.776734 0.446213 0.302810 0.101 Uiso 1 1 calc R U . . .
C152 C 0.8319(12) 0.4948(3) 0.2081(9) 0.072(4) Uani 1 1 d . . . . .
H152 H 0.870962 0.500173 0.172476 0.087 Uiso 1 1 calc R U . . .
C153 C 0.8314(12) 0.4691(3) 0.2309(11) 0.086(6) Uani 1 1 d D . . . .
C154 C 0.8967(11) 0.4501(3) 0.1993(10) 0.087(5) Uani 1 1 d D . . . .
H15A H 0.911290 0.455773 0.153155 0.105 Uiso 1 1 calc R U . . .
H15B H 0.864073 0.433440 0.195644 0.105 Uiso 1 1 calc R U . . .
C155 C 1.0696(12) 0.4668(3) 0.2248(11) 0.080(5) Uani 1 1 d . . . . .
C156 C 1.1054(16) 0.4676(3) 0.1618(14) 0.109(7) Uani 1 1 d . . . . .
H156 H 1.077937 0.457602 0.126580 0.131 Uiso 1 1 calc R U . . .
C157 C 1.1808(16) 0.4827(4) 0.1498(13) 0.105(7) Uani 1 1 d . . . . .
H157 H 1.208334 0.483045 0.106583 0.126 Uiso 1 1 calc R U . . .
C158 C 1.2167(14) 0.4975(3) 0.2015(14) 0.107(8) Uani 1 1 d . . . . .
H158 H 1.270105 0.508048 0.194395 0.128 Uiso 1 1 calc R U . . .
C159 C 1.1732(12) 0.4970(3) 0.2659(11) 0.085(5) Uani 1 1 d . . . . .
H159 H 1.194433 0.507626 0.301869 0.102 Uiso 1 1 calc R U . . .
C160 C 1.1009(11) 0.4809(3) 0.2730(11) 0.075(5) Uani 1 1 d . . . . .
C161 C 0.9841(10) 0.5018(2) 0.3544(10) 0.074(4) Uani 1 1 d D . . . .
H16A H 0.930072 0.500803 0.322111 0.089 Uiso 1 1 calc R U . . .
H16B H 0.959036 0.499227 0.400118 0.089 Uiso 1 1 calc R U . . .
C162 C 1.0248(9) 0.5277(2) 0.3509(8) 0.059(3) Uani 1 1 d D . . . .
C163 C 1.0735(10) 0.5378(3) 0.4048(9) 0.067(4) Uani 1 1 d . . . . .
H163 H 1.076324 0.528331 0.445673 0.081 Uiso 1 1 calc R U . . .
C164 C 1.0248(10) 0.5411(3) 0.2909(8) 0.065(4) Uani 1 1 d . . . . .
H164 H 0.994405 0.534091 0.252021 0.077 Uiso 1 1 calc R U . . .
C165 C 1.1186(9) 0.5609(3) 0.4025(8) 0.061(3) Uani 1 1 d . . . . .
H165 H 1.151694 0.567569 0.440700 0.073 Uiso 1 1 calc R U . . .
C166 C 1.0689(9) 0.5645(2) 0.2871(7) 0.055(3) Uani 1 1 d . . . . .
H166 H 1.066970 0.573548 0.245574 0.066 Uiso 1 1 calc R U . . .
C167 C 1.1137(8) 0.5748(2) 0.3398(7) 0.056(3) Uani 1 1 d D . . . .
C168 C 1.1648(7) 0.6001(2) 0.3368(8) 0.057(3) Uani 1 1 d D . . . .
H16C H 1.220947 0.599482 0.367259 0.069 Uiso 1 1 calc R U . . .
H16D H 1.186988 0.602866 0.290384 0.069 Uiso 1 1 calc R U . . .
O1G O 0.4256(16) 0.7435(5) 0.9935(13) 0.144(8) Uiso 0.801(13) 1 d D . P A 5
O2G O 0.333(4) 0.7937(10) 1.076(3) 0.35(3) Uiso 0.801(13) 1 d D . P A 5
O3G O 0.235(2) 0.8013(6) 0.9705(19) 0.210(13) Uiso 0.801(13) 1 d D . P A 5
O4G O 0.391(3) 0.8208(8) 0.888(2) 0.241(16) Uiso 0.801(13) 1 d D U P A 5
O5G O 0.510(2) 0.7813(5) 1.0190(15) 0.169(10) Uiso 0.801(13) 1 d D . P A 5
O6G O 0.619(4) 0.8332(10) 0.967(3) 0.30(2) Uiso 0.801(13) 1 d D . P A 5
C1G C 0.440(2) 0.7641(6) 1.036(2) 0.165(15) Uiso 0.801(13) 1 d D . P A 5
H1G H 0.449381 0.758219 1.083176 0.198 Uiso 0.801(13) 1 calc R U P A 5
C2G C 0.343(3) 0.7748(8) 1.0262(19) 0.155(13) Uiso 0.801(13) 1 d D . P A 5
H2G H 0.295469 0.761030 1.032585 0.186 Uiso 0.801(13) 1 calc R U P A 5
C3G C 0.327(2) 0.7876(7) 0.9580(19) 0.153(13) Uiso 0.801(13) 1 d D U P A 5
H3G H 0.322387 0.775241 0.919751 0.184 Uiso 0.801(13) 1 calc R U P A 5
C4G C 0.404(3) 0.8079(8) 0.948(2) 0.182(16) Uiso 0.801(13) 1 d D U P A 5
H4G H 0.397100 0.820605 0.985455 0.219 Uiso 0.801(13) 1 calc R U P A 5
C5G C 0.507(3) 0.7962(8) 0.956(2) 0.178(16) Uiso 0.801(13) 1 d D U P A 5
H5G H 0.502445 0.782023 0.922898 0.214 Uiso 0.801(13) 1 calc R U P A 5
C6G C 0.594(4) 0.8107(10) 0.928(3) 0.26(3) Uiso 0.801(13) 1 d D . P A 5
H6G1 H 0.649188 0.799003 0.927679 0.309 Uiso 0.801(13) 1 calc R U P A 5
H6G2 H 0.580222 0.815794 0.880909 0.309 Uiso 0.801(13) 1 calc R U P A 5
O9W O 0.2099(14) 0.8062(4) 0.8353(10) 0.115(6) Uiso 0.801(13) 1 d . . P A 5
O10W O 0.502(3) 0.8621(8) 0.899(2) 0.053(11) Uiso 0.199(13) 1 d . . P A 6
O1W O 0.9016(7) 0.72713(18) 0.7113(5) 0.065(2) Uiso 1 1 d . . . . .
O2W O 0.8557(7) 0.74507(19) 0.8363(5) 0.071(3) Uiso 1 1 d . . . . .
O3W O 0.5904(7) 0.6580(2) 0.3106(6) 0.073(3) Uiso 1 1 d . . . . .
O4W O 0.6304(9) 0.6462(2) 0.1839(7) 0.089(3) Uiso 1 1 d . . . . .
O5W O 0.7833(14) 0.9778(4) 0.5716(11) 0.148(7) Uiso 1 1 d . . . . .
O6W O 0.744(3) 0.9251(8) 0.513(2) 0.309(19) Uiso 1 1 d . . . . .
O7W O 0.7153(13) 0.4073(4) 0.4247(10) 0.137(6) Uiso 1 1 d . . . . .
O8W O 0.7582(19) 0.4518(6) 0.4806(15) 0.214(11) Uiso 1 1 d . . . . .
O11W O 0.107(2) 0.9001(6) 0.9542(19) 0.263(14) Uiso 1 1 d . . . . .
O12W O 0.930(2) 0.5506(7) -0.0220(19) 0.181(14) Uiso 0.68(3) 1 d . . P B 1
O13W O 1.168(3) 0.5554(9) 0.090(3) 0.110(16) Uiso 0.32(3) 1 d . . P B 2
O19W O 0.937(3) 0.5755(9) 0.880(3) 0.113(17) Uiso 0.32(3) 1 d . . P B 2
O14W O 0.764(3) 0.6185(8) 0.114(2) 0.303(18) Uiso 1 1 d . . . . .
C1M C 1.054(4) 0.6244(10) 0.027(3) 0.33(3) Uiso 1 1 d D . . . .
O1M O 0.9823(18) 0.6032(5) 0.0477(14) 0.060(9) Uiso 0.35(3) 1 d D . P C 3
O1N O 1.154(4) 0.6191(10) 0.054(3) 0.28(3) Uiso 0.65(3) 1 d D . P C 4
O20W O 0.626(3) 0.8008(10) 0.233(3) 0.192(18) Uiso 0.5 1 d . . P . .
O21W O 0.2813(12) 0.5765(3) 0.1940(9) 0.126(5) Uiso 1 1 d . . . . .
O23W O 0.967(2) 0.6290(6) 0.9156(17) 0.155(16) Uiso 0.64(5) 1 d . . P . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.020(8) . ?
Pd1 N2 2.038(10) . ?
Pd1 Cl2 2.311(2) . ?
Pd1 Cl1 2.323(3) . ?
Pd2 N4 2.025(12) . ?
Pd2 N3 2.069(10) . ?
Pd2 Cl3 2.303(4) . ?
Pd2 Cl4 2.309(3) . ?
Pd3 N5 2.044(9) . ?
Pd3 N6 2.047(9) . ?
Pd3 Cl6 2.292(3) . ?
Pd3 Cl5 2.306(3) . ?
N1 C1 1.483(14) . ?
N1 C42 1.528(12) . ?
N1 H1N 1.0000 . ?
N2 C6 1.486(13) . ?
N2 C7 1.507(14) . ?
N2 H2N 1.0000 . ?
N3 C15 1.436(17) . ?
N3 C14 1.545(14) . ?
N3 H3N 1.0000 . ?
N4 C20 1.497(18) . ?
N4 C21 1.500(16) . ?
N4 H4N 1.0000 . ?
N5 C28 1.515(12) . ?
N5 C29 1.588(15) . ?
N5 H5N 1.0000 . ?
N6 C34 1.440(14) . ?
N6 C35 1.499(13) . ?
N6 H6N 1.0000 . ?
C1 C6 1.346(14) . ?
C1 C2 1.413(13) . ?
C2 C3 1.403(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.365(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.367(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(15) . ?
C5 H5 0.9500 . ?
C7 C8 1.472(15) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.402(15) . ?
C8 C9 1.445(17) . ?
C9 C11 1.374(16) . ?
C9 H9 0.9500 . ?
C10 C12 1.379(17) . ?
C10 H10 0.9500 . ?
C11 C13 1.418(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.408(19) . ?
C12 H12 0.9500 . ?
C13 C14 1.484(16) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.29(2) . ?
C15 C16 1.49(2) . ?
C16 C17 1.34(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.37(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.43(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.35(2) . ?
C19 H19 0.9500 . ?
C21 C22 1.477(18) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C24 1.41(2) . ?
C22 C23 1.43(2) . ?
C23 C25 1.343(18) . ?
C23 H23 0.9500 . ?
C24 C26 1.372(18) . ?
C24 H24 0.9500 . ?
C25 C27 1.431(18) . ?
C25 H25 0.9500 . ?
C26 C27 1.391(18) . ?
C26 H26 0.9500 . ?
C27 C28 1.491(16) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.305(16) . ?
C29 C30 1.350(16) . ?
C30 C31 1.40(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.40(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.370(19) . ?
C32 H32 0.9500 . ?
C33 C34 1.402(17) . ?
C33 H33 0.9500 . ?
C35 C36 1.533(12) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.365(16) . ?
C36 C38 1.392(16) . ?
C37 C39 1.386(14) . ?
C37 H37 0.9500 . ?
C38 C40 1.377(14) . ?
C38 H38 0.9500 . ?
C39 C41 1.375(16) . ?
C39 H39 0.9500 . ?
C40 C41 1.409(15) . ?
C40 H40 0.9500 . ?
C41 C42 1.525(12) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N8 2.033(9) . ?
Pd4 N7 2.062(10) . ?
Pd4 Cl8 2.302(3) . ?
Pd4 Cl7 2.314(3) . ?
Pd5 N9 2.016(11) . ?
Pd5 N10 2.053(12) . ?
Pd5 Cl9 2.287(5) . ?
Pd5 Cl10 2.311(4) . ?
Pd6 N11 1.872(19) . ?
Pd6 N12 2.030(14) . ?
Pd6 Cl12 2.304(7) . ?
Pd6 Cl11 2.305(5) . ?
N7 C43 1.471(15) . ?
N7 C84 1.518(12) . ?
N7 H7N 1.0000 . ?
N8 C48 1.469(15) . ?
N8 C49 1.500(12) . ?
N8 H8N 1.0000 . ?
N9 C57 1.487(19) . ?
N9 C56 1.539(13) . ?
N9 H9N 1.0000 . ?
N10 C62 1.426(15) . ?
N10 C63 1.514(14) . ?
N10 H10N 1.0000 . ?
N11 C71 1.41(2) . ?
N11 C70 1.529(18) . ?
N11 H11N 1.0000 . ?
N12 C76 1.51(3) . ?
N12 C77 1.576(14) . ?
N12 H12N 1.0000 . ?
C43 C44 1.385(18) . ?
C43 C48 1.418(14) . ?
C44 C45 1.404(19) . ?
C44 H44 0.9500 . ?
C45 C46 1.406(16) . ?
C45 H45 0.9500 . ?
C46 C47 1.378(18) . ?
C46 H46 0.9500 . ?
C47 C48 1.407(17) . ?
C47 H47 0.9500 . ?
C49 C50 1.522(13) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.369(14) . ?
C50 C52 1.394(17) . ?
C51 C53 1.380(16) . ?
C51 H51 0.9500 . ?
C52 C54 1.405(17) . ?
C52 H52 0.9500 . ?
C53 C55 1.385(18) . ?
C53 H53 0.9500 . ?
C54 C55 1.369(17) . ?
C54 H54 0.9500 . ?
C55 C56 1.534(14) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.291(16) . ?
C57 C58 1.387(18) . ?
C58 C59 1.39(2) . ?
C58 H58 0.9500 . ?
C59 C60 1.34(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.43(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.50(2) . ?
C61 H61 0.9500 . ?
C63 C64 1.504(15) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C66 1.40(2) . ?
C64 C65 1.43(2) . ?
C65 C67 1.42(2) . ?
C65 H65 0.9500 . ?
C66 C68 1.37(2) . ?
C66 H66 0.9500 . ?
C67 C69 1.37(2) . ?
C67 H67 0.9500 . ?
C68 C69 1.40(2) . ?
C68 H68 0.9500 . ?
C69 C70 1.520(16) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.35(3) . ?
C71 C76 1.37(3) . ?
C72 C73 1.37(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.43(3) . ?
C73 H73 0.9500 . ?
C74 C75 1.39(3) . ?
C74 H74 0.9500 . ?
C75 C76 1.35(2) . ?
C75 H75 0.9500 . ?
C77 C78 1.541(16) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C80 1.38(2) . ?
C78 C79 1.39(2) . ?
C79 C81 1.419(19) . ?
C79 H79 0.9500 . ?
C80 C82 1.390(19) . ?
C80 H80 0.9500 . ?
C81 C83 1.33(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.43(2) . ?
C82 H82 0.9500 . ?
C83 C84 1.531(14) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
Pd7 N13 2.044(8) . ?
Pd7 N14 2.047(9) . ?
Pd7 Cl14 2.312(2) . ?
Pd7 Cl13 2.330(3) . ?
Pd8 N15 2.029(9) . ?
Pd8 N16 2.034(11) . ?
Pd8 Cl15 2.313(3) . ?
Pd8 Cl16 2.316(3) . ?
Pd9 N17 2.049(9) . ?
Pd9 N18 2.053(9) . ?
Pd9 Cl18 2.291(3) . ?
Pd9 Cl17 2.308(3) . ?
N13 C85 1.475(14) . ?
N13 C126 1.482(13) . ?
N13 H13N 1.0000 . ?
N14 C90 1.484(12) . ?
N14 C91 1.516(14) . ?
N14 H14N 1.0000 . ?
N15 C99 1.469(17) . ?
N15 C98 1.507(14) . ?
N15 H15N 1.0000 . ?
N16 C104 1.452(19) . ?
N16 C105 1.532(17) . ?
N16 H16N 1.0000 . ?
N17 C112 1.545(13) . ?
N17 C113 1.606(15) . ?
N17 H17N 1.0000 . ?
N18 C118 1.430(15) . ?
N18 C119 1.511(13) . ?
N18 H18N 1.0000 . ?
C85 C86 1.387(14) . ?
C85 C90 1.388(15) . ?
C86 C87 1.377(17) . ?
C86 H86 0.9500 . ?
C87 C88 1.385(18) . ?
C87 H87 0.9500 . ?
C88 C89 1.428(17) . ?
C88 H88 0.9500 . ?
C89 C90 1.362(16) . ?
C89 H89 0.9500 . ?
C91 C92 1.481(15) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C94 1.385(15) . ?
C92 C93 1.397(17) . ?
C93 C95 1.422(16) . ?
C93 H93 0.9500 . ?
C94 C96 1.393(17) . ?
C94 H94 0.9500 . ?
C95 C97 1.378(16) . ?
C95 H95 0.9500 . ?
C96 C97 1.381(18) . ?
C96 H96 0.9500 . ?
C97 C98 1.544(15) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C104 1.17(2) . ?
C99 C100 1.47(2) . ?
C100 C101 1.35(2) . ?
C100 H100 0.9500 . ?
C101 C102 1.35(3) . ?
C101 H101 0.9500 . ?
C102 C103 1.25(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.54(2) . ?
C103 H103 0.9500 . ?
C105 C106 1.536(19) . ?
C105 H10A 0.9900 . ?
C105 H10B 0.9900 . ?
C106 C107 1.37(2) . ?
C106 C108 1.41(2) . ?
C107 C109 1.417(18) . ?
C107 H107 0.9500 . ?
C108 C110 1.386(19) . ?
C108 H108 0.9500 . ?
C109 C111 1.380(17) . ?
C109 H109 0.9500 . ?
C110 C111 1.383(18) . ?
C110 H110 0.9500 . ?
C111 C112 1.488(17) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.269(17) . ?
C113 C118 1.353(15) . ?
C114 C115 1.41(2) . ?
C114 H114 0.9500 . ?
C115 C116 1.42(2) . ?
C115 H115 0.9500 . ?
C116 C117 1.314(19) . ?
C116 H116 0.9500 . ?
C117 C118 1.403(17) . ?
C117 H117 0.9500 . ?
C119 C120 1.514(13) . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C120 C121 1.353(17) . ?
C120 C122 1.403(16) . ?
C121 C123 1.390(13) . ?
C121 H121 0.9500 . ?
C122 C124 1.398(14) . ?
C122 H122 0.9500 . ?
C123 C125 1.387(16) . ?
C123 H123 0.9500 . ?
C124 C125 1.348(16) . ?
C124 H124 0.9500 . ?
C125 C126 1.539(13) . ?
C126 H12A 0.9900 . ?
C126 H12B 0.9900 . ?
Pd10 N19 2.046(10) . ?
Pd10 N20 2.061(10) . ?
Pd10 Cl20 2.299(3) . ?
Pd10 Cl19 2.310(3) . ?
Pd11 N21 2.009(10) . ?
Pd11 N22 2.070(12) . ?
Pd11 Cl21 2.291(5) . ?
Pd11 Cl22 2.308(4) . ?
Pd11 C146 2.624(14) . ?
Pd12 N24 2.016(12) . ?
Pd12 N23 2.058(17) . ?
Pd12 Cl23 2.314(5) . ?
Pd12 Cl24 2.328(7) . ?
N19 C127 1.479(18) . ?
N19 C168 1.503(12) . ?
N19 H19N 1.0000 . ?
N20 C132 1.462(16) . ?
N20 C133 1.508(12) . ?
N20 H20N 1.0000 . ?
N21 C141 1.413(19) . ?
N21 C140 1.496(14) . ?
N21 H21N 1.0000 . ?
N22 C146 1.377(15) . ?
N22 C147 1.482(14) . ?
N22 H22N 1.0000 . ?
N23 C154 1.507(17) . ?
N23 C155 1.60(2) . ?
N23 H23N 1.0000 . ?
N24 C160 1.50(2) . ?
N24 C161 1.541(15) . ?
N24 H24N 1.0000 . ?
C127 C132 1.387(15) . ?
C127 C128 1.39(2) . ?
C128 C129 1.36(2) . ?
C128 H128 0.9500 . ?
C129 C130 1.432(18) . ?
C129 H129 0.9500 . ?
C130 C131 1.350(19) . ?
C130 H130 0.9500 . ?
C131 C132 1.405(17) . ?
C131 H131 0.9500 . ?
C133 C134 1.514(13) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C134 C135 1.372(15) . ?
C134 C136 1.411(17) . ?
C135 C137 1.442(18) . ?
C135 H135 0.9500 . ?
C136 C138 1.368(17) . ?
C136 H136 0.9500 . ?
C137 C139 1.381(18) . ?
C137 H137 0.9500 . ?
C138 C139 1.396(17) . ?
C138 H138 0.9500 . ?
C139 C140 1.501(13) . ?
C140 H14C 0.9900 . ?
C140 H14D 0.9900 . ?
C141 C146 1.333(16) . ?
C141 C142 1.412(17) . ?
C142 C143 1.38(2) . ?
C142 H142 0.9500 . ?
C143 C144 1.37(2) . ?
C143 H143 0.9500 . ?
C144 C145 1.377(19) . ?
C144 H144 0.9500 . ?
C145 C146 1.496(19) . ?
C145 H145 0.9500 . ?
C147 C148 1.537(15) . ?
C147 H14E 0.9900 . ?
C147 H14F 0.9900 . ?
C148 C150 1.37(2) . ?
C148 C149 1.388(19) . ?
C149 C151 1.33(2) . ?
C149 H149 0.9500 . ?
C150 C152 1.38(2) . ?
C150 H150 0.9500 . ?
C151 C153 1.40(3) . ?
C151 H151 0.9500 . ?
C152 C153 1.43(2) . ?
C152 H152 0.9500 . ?
C153 C154 1.507(17) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C155 C160 1.28(3) . ?
C155 C156 1.36(3) . ?
C156 C157 1.36(3) . ?
C156 H156 0.9500 . ?
C157 C158 1.38(3) . ?
C157 H157 0.9500 . ?
C158 C159 1.43(3) . ?
C158 H158 0.9500 . ?
C159 C160 1.34(2) . ?
C159 H159 0.9500 . ?
C161 C162 1.484(14) . ?
C161 H16A 0.9900 . ?
C161 H16B 0.9900 . ?
C162 C163 1.37(2) . ?
C162 C164 1.38(2) . ?
C163 C165 1.38(2) . ?
C163 H163 0.9500 . ?
C164 C166 1.39(2) . ?
C164 H164 0.9500 . ?
C165 C167 1.44(2) . ?
C165 H165 0.9500 . ?
C166 C167 1.328(19) . ?
C166 H166 0.9500 . ?
C167 C168 1.517(14) . ?
C168 H16C 0.9900 . ?
C168 H16D 0.9900 . ?
O1G C1G 1.38(2) . ?
O2G C2G 1.42(3) . ?
O3G C3G 1.51(2) . ?
O4G C4G 1.39(3) . ?
O5G C1G 1.39(2) . ?
O5G C5G 1.47(2) . ?
O6G C6G 1.46(3) . ?
C1G C2G 1.49(3) . ?
C1G H1G 1.0000 . ?
C2G C3G 1.53(3) . ?
C2G H2G 1.0000 . ?
C3G C4G 1.54(3) . ?
C3G H3G 1.0000 . ?
C4G C5G 1.59(3) . ?
C4G H4G 1.0000 . ?
C5G C6G 1.56(3) . ?
C5G H5G 1.0000 . ?
C6G H6G1 0.9900 . ?
C6G H6G2 0.9900 . ?
C1M O1N 1.54(3) . ?
C1M O1M 1.57(3) . ?

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
N1 Pd1 N2 85.1(3) . . ?
N1 Pd1 Cl2 170.6(3) . . ?
N2 Pd1 Cl2 90.2(2) . . ?
N1 Pd1 Cl1 91.6(2) . . ?
N2 Pd1 Cl1 174.9(2) . . ?
Cl2 Pd1 Cl1 93.64(10) . . ?
N4 Pd2 N3 84.8(4) . . ?
N4 Pd2 Cl3 175.5(3) . . ?
N3 Pd2 Cl3 90.7(3) . . ?
N4 Pd2 Cl4 91.7(3) . . ?
N3 Pd2 Cl4 175.7(3) . . ?
Cl3 Pd2 Cl4 92.72(14) . . ?
N5 Pd3 N6 84.3(4) . . ?
N5 Pd3 Cl6 176.3(3) . . ?
N6 Pd3 Cl6 92.1(3) . . ?
N5 Pd3 Cl5 90.8(3) . . ?
N6 Pd3 Cl5 174.1(3) . . ?
Cl6 Pd3 Cl5 92.86(12) . . ?
C1 N1 C42 112.4(8) . . ?
C1 N1 Pd1 107.2(5) . . ?
C42 N1 Pd1 113.0(6) . . ?
C1 N1 H1N 108.0 . . ?
C42 N1 H1N 108.0 . . ?
Pd1 N1 H1N 108.0 . . ?
C6 N2 C7 115.6(9) . . ?
C6 N2 Pd1 107.5(6) . . ?
C7 N2 Pd1 113.6(7) . . ?
C6 N2 H2N 106.5 . . ?
C7 N2 H2N 106.5 . . ?
Pd1 N2 H2N 106.5 . . ?
C15 N3 C14 118.0(11) . . ?
C15 N3 Pd2 104.4(8) . . ?
C14 N3 Pd2 108.6(7) . . ?
C15 N3 H3N 108.5 . . ?
C14 N3 H3N 108.5 . . ?
Pd2 N3 H3N 108.5 . . ?
C20 N4 C21 112.7(12) . . ?
C20 N4 Pd2 107.6(8) . . ?
C21 N4 Pd2 114.7(8) . . ?
C20 N4 H4N 107.2 . . ?
C21 N4 H4N 107.2 . . ?
Pd2 N4 H4N 107.2 . . ?
C28 N5 C29 113.4(8) . . ?
C28 N5 Pd3 109.6(6) . . ?
C29 N5 Pd3 107.9(6) . . ?
C28 N5 H5N 108.6 . . ?
C29 N5 H5N 108.6 . . ?
Pd3 N5 H5N 108.6 . . ?
C34 N6 C35 115.2(9) . . ?
C34 N6 Pd3 108.2(7) . . ?
C35 N6 Pd3 116.4(7) . . ?
C34 N6 H6N 105.3 . . ?
C35 N6 H6N 105.3 . . ?
Pd3 N6 H6N 105.3 . . ?
C6 C1 C2 121.0(10) . . ?
C6 C1 N1 118.1(8) . . ?
C2 C1 N1 120.8(9) . . ?
C3 C2 C1 116.3(10) . . ?
C3 C2 H2 121.8 . . ?
C1 C2 H2 121.8 . . ?
C4 C3 C2 121.6(10) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 120.6(11) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 118.7(11) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 121.3(10) . . ?
C1 C6 N2 117.8(9) . . ?
C5 C6 N2 120.7(9) . . ?
C8 C7 N2 113.3(8) . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
N2 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C10 C8 C9 117.6(10) . . ?
C10 C8 C7 124.1(11) . . ?
C9 C8 C7 118.2(10) . . ?
C11 C9 C8 120.0(10) . . ?
C11 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C12 C10 C8 121.0(11) . . ?
C12 C10 H10 119.5 . . ?
C8 C10 H10 119.5 . . ?
C9 C11 C13 122.4(11) . . ?
C9 C11 H11 118.8 . . ?
C13 C11 H11 118.8 . . ?
C10 C12 C13 122.5(10) . . ?
C10 C12 H12 118.8 . . ?
C13 C12 H12 118.8 . . ?
C12 C13 C11 116.5(10) . . ?
C12 C13 C14 122.2(10) . . ?
C11 C13 C14 121.3(11) . . ?
C13 C14 N3 110.9(9) . . ?
C13 C14 H14A 109.5 . . ?
N3 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 108.0 . . ?
C20 C15 N3 123.3(13) . . ?
C20 C15 C16 119.4(13) . . ?
N3 C15 C16 117.0(12) . . ?
C17 C16 C15 116.3(14) . . ?
C17 C16 H16 121.9 . . ?
C15 C16 H16 121.9 . . ?
C16 C17 C18 123.5(16) . . ?
C16 C17 H17 118.3 . . ?
C18 C17 H17 118.3 . . ?
C17 C18 C19 117.6(16) . . ?
C17 C18 H18 121.2 . . ?
C19 C18 H18 121.2 . . ?
C20 C19 C18 119.2(16) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C15 C20 C19 123.8(15) . . ?
C15 C20 N4 116.6(13) . . ?
C19 C20 N4 118.8(14) . . ?
C22 C21 N4 112.0(10) . . ?
C22 C21 H21A 109.2 . . ?
N4 C21 H21A 109.2 . . ?
C22 C21 H21B 109.2 . . ?
N4 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C24 C22 C23 117.5(12) . . ?
C24 C22 C21 123.3(13) . . ?
C23 C22 C21 119.2(13) . . ?
C25 C23 C22 121.3(13) . . ?
C25 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C26 C24 C22 120.2(13) . . ?
C26 C24 H24 119.9 . . ?
C22 C24 H24 119.9 . . ?
C23 C25 C27 121.3(13) . . ?
C23 C25 H25 119.3 . . ?
C27 C25 H25 119.3 . . ?
C24 C26 C27 122.6(13) . . ?
C24 C26 H26 118.7 . . ?
C27 C26 H26 118.7 . . ?
C26 C27 C25 117.1(11) . . ?
C26 C27 C28 123.2(11) . . ?
C25 C27 C28 119.7(11) . . ?
C27 C28 N5 114.8(9) . . ?
C27 C28 H28A 108.6 . . ?
N5 C28 H28A 108.6 . . ?
C27 C28 H28B 108.6 . . ?
N5 C28 H28B 108.6 . . ?
H28A C28 H28B 107.5 . . ?
C34 C29 C30 130.2(12) . . ?
C34 C29 N5 112.7(9) . . ?
C30 C29 N5 117.1(9) . . ?
C29 C30 C31 114.0(13) . . ?
C29 C30 H30 123.0 . . ?
C31 C30 H30 123.0 . . ?
C30 C31 C32 119.8(13) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C33 C32 C31 120.6(12) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 119.6(12) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C29 C34 C33 115.7(11) . . ?
C29 C34 N6 124.3(10) . . ?
C33 C34 N6 119.9(11) . . ?
N6 C35 C36 111.8(8) . . ?
N6 C35 H35A 109.3 . . ?
C36 C35 H35A 109.3 . . ?
N6 C35 H35B 109.3 . . ?
C36 C35 H35B 109.3 . . ?
H35A C35 H35B 107.9 . . ?
C37 C36 C38 119.7(9) . . ?
C37 C36 C35 118.3(10) . . ?
C38 C36 C35 121.9(10) . . ?
C36 C37 C39 119.6(10) . . ?
C36 C37 H37 120.2 . . ?
C39 C37 H37 120.2 . . ?
C40 C38 C36 121.0(10) . . ?
C40 C38 H38 119.5 . . ?
C36 C38 H38 119.5 . . ?
C41 C39 C37 121.6(10) . . ?
C41 C39 H39 119.2 . . ?
C37 C39 H39 119.2 . . ?
C38 C40 C41 119.0(10) . . ?
C38 C40 H40 120.5 . . ?
C41 C40 H40 120.5 . . ?
C39 C41 C40 118.8(9) . . ?
C39 C41 C42 120.0(10) . . ?
C40 C41 C42 121.2(10) . . ?
C41 C42 N1 111.3(8) . . ?
C41 C42 H42A 109.4 . . ?
N1 C42 H42A 109.4 . . ?
C41 C42 H42B 109.4 . . ?
N1 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
N8 Pd4 N7 85.0(4) . . ?
N8 Pd4 Cl8 90.1(3) . . ?
N7 Pd4 Cl8 174.7(3) . . ?
N8 Pd4 Cl7 176.2(3) . . ?
N7 Pd4 Cl7 91.5(3) . . ?
Cl8 Pd4 Cl7 93.43(12) . . ?
N9 Pd5 N10 85.5(5) . . ?
N9 Pd5 Cl9 89.7(4) . . ?
N10 Pd5 Cl9 175.1(3) . . ?
N9 Pd5 Cl10 171.4(3) . . ?
N10 Pd5 Cl10 93.6(3) . . ?
Cl9 Pd5 Cl10 91.29(18) . . ?
N11 Pd6 N12 81.3(7) . . ?
N11 Pd6 Cl12 172.5(5) . . ?
N12 Pd6 Cl12 91.3(6) . . ?
N11 Pd6 Cl11 94.6(5) . . ?
N12 Pd6 Cl11 175.6(5) . . ?
Cl12 Pd6 Cl11 92.8(3) . . ?
C43 N7 C84 114.7(10) . . ?
C43 N7 Pd4 108.1(6) . . ?
C84 N7 Pd4 114.7(7) . . ?
C43 N7 H7N 106.2 . . ?
C84 N7 H7N 106.2 . . ?
Pd4 N7 H7N 106.2 . . ?
C48 N8 C49 113.0(9) . . ?
C48 N8 Pd4 108.3(6) . . ?
C49 N8 Pd4 111.3(6) . . ?
C48 N8 H8N 108.1 . . ?
C49 N8 H8N 108.1 . . ?
Pd4 N8 H8N 108.1 . . ?
C57 N9 C56 112.4(10) . . ?
C57 N9 Pd5 107.7(7) . . ?
C56 N9 Pd5 118.0(9) . . ?
C57 N9 H9N 106.0 . . ?
C56 N9 H9N 106.0 . . ?
Pd5 N9 H9N 106.0 . . ?
C62 N10 C63 116.0(10) . . ?
C62 N10 Pd5 100.3(8) . . ?
C63 N10 Pd5 117.1(9) . . ?
C62 N10 H10N 107.6 . . ?
C63 N10 H10N 107.6 . . ?
Pd5 N10 H10N 107.6 . . ?
C71 N11 C70 109.8(16) . . ?
C71 N11 Pd6 118.8(16) . . ?
C70 N11 Pd6 118.0(11) . . ?
C71 N11 H11N 102.4 . . ?
C70 N11 H11N 102.4 . . ?
Pd6 N11 H11N 102.4 . . ?
C76 N12 C77 113.2(13) . . ?
C76 N12 Pd6 108.8(11) . . ?
C77 N12 Pd6 107.0(9) . . ?
C76 N12 H12N 109.2 . . ?
C77 N12 H12N 109.2 . . ?
Pd6 N12 H12N 109.2 . . ?
C44 C43 C48 121.2(11) . . ?
C44 C43 N7 121.6(10) . . ?
C48 C43 N7 117.2(10) . . ?
C43 C44 C45 118.5(10) . . ?
C43 C44 H44 120.7 . . ?
C45 C44 H44 120.7 . . ?
C44 C45 C46 120.7(12) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C47 C46 C45 120.4(12) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C46 C47 C48 119.9(10) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C47 C48 C43 119.1(11) . . ?
C47 C48 N8 123.7(9) . . ?
C43 C48 N8 117.2(10) . . ?
N8 C49 C50 113.5(9) . . ?
N8 C49 H49A 108.9 . . ?
C50 C49 H49A 108.9 . . ?
N8 C49 H49B 108.9 . . ?
C50 C49 H49B 108.9 . . ?
H49A C49 H49B 107.7 . . ?
C51 C50 C52 120.3(10) . . ?
C51 C50 C49 119.4(10) . . ?
C52 C50 C49 120.2(9) . . ?
C50 C51 C53 120.7(11) . . ?
C50 C51 H51 119.7 . . ?
C53 C51 H51 119.7 . . ?
C50 C52 C54 118.7(10) . . ?
C50 C52 H52 120.6 . . ?
C54 C52 H52 120.6 . . ?
C51 C53 C55 119.7(10) . . ?
C51 C53 H53 120.2 . . ?
C55 C53 H53 120.2 . . ?
C55 C54 C52 120.2(11) . . ?
C55 C54 H54 119.9 . . ?
C52 C54 H54 119.9 . . ?
C54 C55 C53 120.4(11) . . ?
C54 C55 C56 118.0(12) . . ?
C53 C55 C56 121.7(11) . . ?
C55 C56 N9 109.9(10) . . ?
C55 C56 H56A 109.7 . . ?
N9 C56 H56A 109.7 . . ?
C55 C56 H56B 109.7 . . ?
N9 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C62 C57 C58 125.2(15) . . ?
C62 C57 N9 112.1(11) . . ?
C58 C57 N9 122.5(12) . . ?
C57 C58 C59 119.7(14) . . ?
C57 C58 H58 120.1 . . ?
C59 C58 H58 120.1 . . ?
C60 C59 C58 120.0(14) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C60 C61 119.9(16) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 H60 120.1 . . ?
C60 C61 C62 119.0(13) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
C57 C62 N10 128.7(12) . . ?
C57 C62 C61 115.0(11) . . ?
N10 C62 C61 114.5(10) . . ?
C64 C63 N10 112.0(11) . . ?
C64 C63 H63A 109.2 . . ?
N10 C63 H63A 109.2 . . ?
C64 C63 H63B 109.2 . . ?
N10 C63 H63B 109.2 . . ?
H63A C63 H63B 107.9 . . ?
C66 C64 C65 119.1(13) . . ?
C66 C64 C63 123.5(12) . . ?
C65 C64 C63 117.3(13) . . ?
C67 C65 C64 118.1(15) . . ?
C67 C65 H65 121.0 . . ?
C64 C65 H65 121.0 . . ?
C68 C66 C64 119.9(13) . . ?
C68 C66 H66 120.0 . . ?
C64 C66 H66 120.0 . . ?
C69 C67 C65 122.1(14) . . ?
C69 C67 H67 119.0 . . ?
C65 C67 H67 119.0 . . ?
C66 C68 C69 122.7(16) . . ?
C66 C68 H68 118.7 . . ?
C69 C68 H68 118.7 . . ?
C67 C69 C68 117.7(14) . . ?
C67 C69 C70 117.8(16) . . ?
C68 C69 C70 124.5(17) . . ?
C69 C70 N11 112.3(14) . . ?
C69 C70 H70A 109.1 . . ?
N11 C70 H70A 109.1 . . ?
C69 C70 H70B 109.1 . . ?
N11 C70 H70B 109.1 . . ?
H70A C70 H70B 107.9 . . ?
C72 C71 C76 116.9(18) . . ?
C72 C71 N11 129(2) . . ?
C76 C71 N11 113(2) . . ?
C71 C72 C73 122(2) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C72 C73 C74 118(2) . . ?
C72 C73 H73 120.9 . . ?
C74 C73 H73 120.9 . . ?
C75 C74 C73 121.6(19) . . ?
C75 C74 H74 119.2 . . ?
C73 C74 H74 119.2 . . ?
C76 C75 C74 114(2) . . ?
C76 C75 H75 122.9 . . ?
C74 C75 H75 122.9 . . ?
C75 C76 C71 127(2) . . ?
C75 C76 N12 118(2) . . ?
C71 C76 N12 114.0(16) . . ?
C78 C77 N12 108.6(11) . . ?
C78 C77 H77A 110.0 . . ?
N12 C77 H77A 110.0 . . ?
C78 C77 H77B 110.0 . . ?
N12 C77 H77B 110.0 . . ?
H77A C77 H77B 108.4 . . ?
C80 C78 C79 120.6(12) . . ?
C80 C78 C77 121.1(14) . . ?
C79 C78 C77 118.3(14) . . ?
C78 C79 C81 119.0(15) . . ?
C78 C79 H79 120.5 . . ?
C81 C79 H79 120.5 . . ?
C78 C80 C82 119.3(13) . . ?
C78 C80 H80 120.4 . . ?
C82 C80 H80 120.4 . . ?
C83 C81 C79 121.5(14) . . ?
C83 C81 H81 119.3 . . ?
C79 C81 H81 119.3 . . ?
C80 C82 C83 120.5(14) . . ?
C80 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C81 C83 C82 119.1(12) . . ?
C81 C83 C84 120.4(12) . . ?
C82 C83 C84 120.5(12) . . ?
N7 C84 C83 111.4(8) . . ?
N7 C84 H84A 109.3 . . ?
C83 C84 H84A 109.3 . . ?
N7 C84 H84B 109.3 . . ?
C83 C84 H84B 109.3 . . ?
H84A C84 H84B 108.0 . . ?
N13 Pd7 N14 85.4(3) . . ?
N13 Pd7 Cl14 171.0(3) . . ?
N14 Pd7 Cl14 89.5(2) . . ?
N13 Pd7 Cl13 91.4(3) . . ?
N14 Pd7 Cl13 175.0(2) . . ?
Cl14 Pd7 Cl13 94.14(10) . . ?
N15 Pd8 N16 83.9(4) . . ?
N15 Pd8 Cl15 90.2(3) . . ?
N16 Pd8 Cl15 174.0(3) . . ?
N15 Pd8 Cl16 175.9(3) . . ?
N16 Pd8 Cl16 92.2(3) . . ?
Cl15 Pd8 Cl16 93.69(13) . . ?
N17 Pd9 N18 84.4(4) . . ?
N17 Pd9 Cl18 176.4(3) . . ?
N18 Pd9 Cl18 92.5(3) . . ?
N17 Pd9 Cl17 90.4(3) . . ?
N18 Pd9 Cl17 173.5(3) . . ?
Cl18 Pd9 Cl17 92.83(13) . . ?
C85 N13 C126 114.4(8) . . ?
C85 N13 Pd7 106.4(6) . . ?
C126 N13 Pd7 112.8(6) . . ?
C85 N13 H13N 107.7 . . ?
C126 N13 H13N 107.7 . . ?
Pd7 N13 H13N 107.7 . . ?
C90 N14 C91 112.9(8) . . ?
C90 N14 Pd7 107.7(6) . . ?
C91 N14 Pd7 115.2(7) . . ?
C90 N14 H14N 106.8 . . ?
C91 N14 H14N 106.8 . . ?
Pd7 N14 H14N 106.8 . . ?
C99 N15 C98 116.3(11) . . ?
C99 N15 Pd8 104.5(8) . . ?
C98 N15 Pd8 111.2(7) . . ?
C99 N15 H15N 108.2 . . ?
C98 N15 H15N 108.2 . . ?
Pd8 N15 H15N 108.2 . . ?
C104 N16 C105 117.9(12) . . ?
C104 N16 Pd8 105.1(10) . . ?
C105 N16 Pd8 113.7(9) . . ?
C104 N16 H16N 106.4 . . ?
C105 N16 H16N 106.4 . . ?
Pd8 N16 H16N 106.4 . . ?
C112 N17 C113 112.9(8) . . ?
C112 N17 Pd9 108.4(7) . . ?
C113 N17 Pd9 108.8(6) . . ?
C112 N17 H17N 108.9 . . ?
C113 N17 H17N 108.9 . . ?
Pd9 N17 H17N 108.9 . . ?
C118 N18 C119 115.2(9) . . ?
C118 N18 Pd9 109.2(7) . . ?
C119 N18 Pd9 116.8(7) . . ?
C118 N18 H18N 104.8 . . ?
C119 N18 H18N 104.8 . . ?
Pd9 N18 H18N 104.8 . . ?
C86 C85 C90 119.1(10) . . ?
C86 C85 N13 122.5(10) . . ?
C90 C85 N13 118.4(9) . . ?
C87 C86 C85 120.9(10) . . ?
C87 C86 H86 119.5 . . ?
C85 C86 H86 119.5 . . ?
C86 C87 C88 119.3(11) . . ?
C86 C87 H87 120.3 . . ?
C88 C87 H87 120.3 . . ?
C87 C88 C89 120.4(12) . . ?
C87 C88 H88 119.8 . . ?
C89 C88 H88 119.8 . . ?
C90 C89 C88 118.0(11) . . ?
C90 C89 H89 121.0 . . ?
C88 C89 H89 121.0 . . ?
C89 C90 C85 122.0(9) . . ?
C89 C90 N14 120.6(9) . . ?
C85 C90 N14 117.1(9) . . ?
C92 C91 N14 112.4(9) . . ?
C92 C91 H91A 109.1 . . ?
N14 C91 H91A 109.1 . . ?
C92 C91 H91B 109.1 . . ?
N14 C91 H91B 109.1 . . ?
H91A C91 H91B 107.9 . . ?
C94 C92 C93 118.0(10) . . ?
C94 C92 C91 121.4(11) . . ?
C93 C92 C91 120.5(9) . . ?
C92 C93 C95 121.0(10) . . ?
C92 C93 H93 119.5 . . ?
C95 C93 H93 119.5 . . ?
C92 C94 C96 121.4(11) . . ?
C92 C94 H94 119.3 . . ?
C96 C94 H94 119.3 . . ?
C97 C95 C93 118.9(12) . . ?
C97 C95 H95 120.5 . . ?
C93 C95 H95 120.5 . . ?
C97 C96 C94 120.0(11) . . ?
C97 C96 H96 120.0 . . ?
C94 C96 H96 120.0 . . ?
C95 C97 C96 120.6(10) . . ?
C95 C97 C98 119.2(11) . . ?
C96 C97 C98 120.2(10) . . ?
N15 C98 C97 113.0(9) . . ?
N15 C98 H98A 109.0 . . ?
C97 C98 H98A 109.0 . . ?
N15 C98 H98B 109.0 . . ?
C97 C98 H98B 109.0 . . ?
H98A C98 H98B 107.8 . . ?
C104 C99 N15 121.5(14) . . ?
C104 C99 C100 121.3(15) . . ?
N15 C99 C100 117.2(13) . . ?
C101 C100 C99 116.7(17) . . ?
C101 C100 H100 121.6 . . ?
C99 C100 H100 121.6 . . ?
C100 C101 C102 121(2) . . ?
C100 C101 H101 119.6 . . ?
C102 C101 H101 119.6 . . ?
C103 C102 C101 123(2) . . ?
C103 C102 H102 118.4 . . ?
C101 C102 H102 118.4 . . ?
C102 C103 C104 116.8(18) . . ?
C102 C103 H103 121.6 . . ?
C104 C103 H103 121.6 . . ?
C99 C104 N16 122.1(17) . . ?
C99 C104 C103 121.0(15) . . ?
N16 C104 C103 116.8(16) . . ?
N16 C105 C106 109.6(10) . . ?
N16 C105 H10A 109.8 . . ?
C106 C105 H10A 109.8 . . ?
N16 C105 H10B 109.8 . . ?
C106 C105 H10B 109.8 . . ?
H10A C105 H10B 108.2 . . ?
C107 C106 C108 119.3(12) . . ?
C107 C106 C105 119.0(13) . . ?
C108 C106 C105 121.8(14) . . ?
C106 C107 C109 119.8(11) . . ?
C106 C107 H107 120.1 . . ?
C109 C107 H107 120.1 . . ?
C110 C108 C106 120.0(14) . . ?
C110 C108 H108 120.0 . . ?
C106 C108 H108 120.0 . . ?
C111 C109 C107 120.7(12) . . ?
C111 C109 H109 119.6 . . ?
C107 C109 H109 119.6 . . ?
C111 C110 C108 120.9(12) . . ?
C111 C110 H110 119.6 . . ?
C108 C110 H110 119.6 . . ?
C109 C111 C110 119.2(11) . . ?
C109 C111 C112 117.9(12) . . ?
C110 C111 C112 122.8(11) . . ?
C111 C112 N17 113.3(9) . . ?
C111 C112 H11A 108.9 . . ?
N17 C112 H11A 108.9 . . ?
C111 C112 H11B 108.9 . . ?
N17 C112 H11B 108.9 . . ?
H11A C112 H11B 107.7 . . ?
C114 C113 C118 130.4(12) . . ?
C114 C113 N17 118.3(10) . . ?
C118 C113 N17 111.3(9) . . ?
C113 C114 C115 116.1(14) . . ?
C113 C114 H114 122.0 . . ?
C115 C114 H114 122.0 . . ?
C114 C115 C116 117.9(13) . . ?
C114 C115 H115 121.0 . . ?
C116 C115 H115 121.0 . . ?
C117 C116 C115 120.4(13) . . ?
C117 C116 H116 119.8 . . ?
C115 C116 H116 119.8 . . ?
C116 C117 C118 121.9(12) . . ?
C116 C117 H117 119.0 . . ?
C118 C117 H117 119.0 . . ?
C113 C118 C117 113.1(11) . . ?
C113 C118 N18 124.0(11) . . ?
C117 C118 N18 122.9(11) . . ?
N18 C119 C120 111.3(8) . . ?
N18 C119 H11C 109.4 . . ?
C120 C119 H11C 109.4 . . ?
N18 C119 H11D 109.4 . . ?
C120 C119 H11D 109.4 . . ?
H11C C119 H11D 108.0 . . ?
C121 C120 C122 119.0(9) . . ?
C121 C120 C119 119.7(10) . . ?
C122 C120 C119 121.3(11) . . ?
C120 C121 C123 121.8(11) . . ?
C120 C121 H121 119.1 . . ?
C123 C121 H121 119.1 . . ?
C124 C122 C120 118.4(11) . . ?
C124 C122 H122 120.8 . . ?
C120 C122 H122 120.8 . . ?
C125 C123 C121 119.5(11) . . ?
C125 C123 H123 120.2 . . ?
C121 C123 H123 120.2 . . ?
C125 C124 C122 122.3(11) . . ?
C125 C124 H124 118.9 . . ?
C122 C124 H124 118.9 . . ?
C124 C125 C123 119.0(10) . . ?
C124 C125 C126 121.9(10) . . ?
C123 C125 C126 119.0(10) . . ?
N13 C126 C125 110.9(8) . . ?
N13 C126 H12A 109.5 . . ?
C125 C126 H12A 109.5 . . ?
N13 C126 H12B 109.5 . . ?
C125 C126 H12B 109.5 . . ?
H12A C126 H12B 108.1 . . ?
N19 Pd10 N20 84.3(4) . . ?
N19 Pd10 Cl20 174.6(3) . . ?
N20 Pd10 Cl20 90.6(3) . . ?
N19 Pd10 Cl19 91.3(3) . . ?
N20 Pd10 Cl19 175.3(3) . . ?
Cl20 Pd10 Cl19 93.80(13) . . ?
N21 Pd11 N22 85.6(5) . . ?
N21 Pd11 Cl21 89.3(4) . . ?
N22 Pd11 Cl21 174.8(3) . . ?
N21 Pd11 Cl22 172.4(3) . . ?
N22 Pd11 Cl22 93.9(3) . . ?
Cl21 Pd11 Cl22 91.28(18) . . ?
N21 Pd11 C146 56.8(4) . . ?
N22 Pd11 C146 31.4(4) . . ?
Cl21 Pd11 C146 144.3(3) . . ?
Cl22 Pd11 C146 120.8(3) . . ?
N24 Pd12 N23 86.3(6) . . ?
N24 Pd12 Cl23 175.7(5) . . ?
N23 Pd12 Cl23 89.4(4) . . ?
N24 Pd12 Cl24 90.7(5) . . ?
N23 Pd12 Cl24 176.8(4) . . ?
Cl23 Pd12 Cl24 93.6(3) . . ?
C127 N19 C168 114.2(11) . . ?
C127 N19 Pd10 108.2(7) . . ?
C168 N19 Pd10 114.6(8) . . ?
C127 N19 H19N 106.4 . . ?
C168 N19 H19N 106.4 . . ?
Pd10 N19 H19N 106.4 . . ?
C132 N20 C133 114.8(9) . . ?
C132 N20 Pd10 107.8(7) . . ?
C133 N20 Pd10 109.7(7) . . ?
C132 N20 H20N 108.1 . . ?
C133 N20 H20N 108.1 . . ?
Pd10 N20 H20N 108.1 . . ?
C141 N21 C140 111.0(11) . . ?
C141 N21 Pd11 107.9(8) . . ?
C140 N21 Pd11 118.5(9) . . ?
C141 N21 H21N 106.2 . . ?
C140 N21 H21N 106.2 . . ?
Pd11 N21 H21N 106.2 . . ?
C146 N22 C147 119.4(11) . . ?
C146 N22 Pd11 97.1(8) . . ?
C147 N22 Pd11 117.3(9) . . ?
C146 N22 H22N 107.4 . . ?
C147 N22 H22N 107.4 . . ?
Pd11 N22 H22N 107.4 . . ?
C154 N23 C155 116.4(13) . . ?
C154 N23 Pd12 118.8(11) . . ?
C155 N23 Pd12 102.4(11) . . ?
C154 N23 H23N 106.1 . . ?
C155 N23 H23N 106.1 . . ?
Pd12 N23 H23N 106.1 . . ?
C160 N24 C161 116.2(12) . . ?
C160 N24 Pd12 107.1(9) . . ?
C161 N24 Pd12 110.6(8) . . ?
C160 N24 H24N 107.5 . . ?
C161 N24 H24N 107.5 . . ?
Pd12 N24 H24N 107.5 . . ?
C132 C127 C128 119.6(14) . . ?
C132 C127 N19 117.8(12) . . ?
C128 C127 N19 122.5(11) . . ?
C129 C128 C127 120.8(12) . . ?
C129 C128 H128 119.6 . . ?
C127 C128 H128 119.6 . . ?
C128 C129 C130 119.0(14) . . ?
C128 C129 H129 120.5 . . ?
C130 C129 H129 120.5 . . ?
C131 C130 C129 120.5(14) . . ?
C131 C130 H130 119.8 . . ?
C129 C130 H130 119.8 . . ?
C130 C131 C132 119.7(11) . . ?
C130 C131 H131 120.1 . . ?
C132 C131 H131 120.1 . . ?
C127 C132 C131 120.2(12) . . ?
C127 C132 N20 117.6(11) . . ?
C131 C132 N20 122.3(10) . . ?
N20 C133 C134 110.7(9) . . ?
N20 C133 H13A 109.5 . . ?
C134 C133 H13A 109.5 . . ?
N20 C133 H13B 109.5 . . ?
C134 C133 H13B 109.5 . . ?
H13A C133 H13B 108.1 . . ?
C135 C134 C136 120.7(11) . . ?
C135 C134 C133 117.8(11) . . ?
C136 C134 C133 121.5(10) . . ?
C134 C135 C137 118.0(13) . . ?
C134 C135 H135 121.0 . . ?
C137 C135 H135 121.0 . . ?
C138 C136 C134 118.9(10) . . ?
C138 C136 H136 120.5 . . ?
C134 C136 H136 120.5 . . ?
C139 C137 C135 122.1(11) . . ?
C139 C137 H137 118.9 . . ?
C135 C137 H137 118.9 . . ?
C136 C138 C139 123.6(11) . . ?
C136 C138 H138 118.2 . . ?
C139 C138 H138 118.2 . . ?
C137 C139 C138 116.5(10) . . ?
C137 C139 C140 120.7(11) . . ?
C138 C139 C140 122.9(12) . . ?
N21 C140 C139 113.1(10) . . ?
N21 C140 H14C 109.0 . . ?
C139 C140 H14C 109.0 . . ?
N21 C140 H14D 109.0 . . ?
C139 C140 H14D 109.0 . . ?
H14C C140 H14D 107.8 . . ?
C146 C141 C142 123.2(15) . . ?
C146 C141 N21 111.4(11) . . ?
C142 C141 N21 125.1(13) . . ?
C143 C142 C141 119.7(15) . . ?
C143 C142 H142 120.2 . . ?
C141 C142 H142 120.2 . . ?
C144 C143 C142 121.7(15) . . ?
C144 C143 H143 119.1 . . ?
C142 C143 H143 119.1 . . ?
C143 C144 C145 117.2(16) . . ?
C143 C144 H144 121.4 . . ?
C145 C144 H144 121.4 . . ?
C144 C145 C146 123.5(15) . . ?
C144 C145 H145 118.2 . . ?
C146 C145 H145 118.2 . . ?
C141 C146 N22 130.9(13) . . ?
C141 C146 C145 114.0(12) . . ?
N22 C146 C145 113.7(11) . . ?
C141 C146 Pd11 82.7(9) . . ?
N22 C146 Pd11 51.5(7) . . ?
C145 C146 Pd11 162.4(9) . . ?
N22 C147 C148 114.1(11) . . ?
N22 C147 H14E 108.7 . . ?
C148 C147 H14E 108.7 . . ?
N22 C147 H14F 108.7 . . ?
C148 C147 H14F 108.7 . . ?
H14E C147 H14F 107.6 . . ?
C150 C148 C149 117.4(13) . . ?
C150 C148 C147 122.5(12) . . ?
C149 C148 C147 120.0(13) . . ?
C151 C149 C148 120.5(15) . . ?
C151 C149 H149 119.8 . . ?
C148 C149 H149 119.8 . . ?
C148 C150 C152 124.5(13) . . ?
C148 C150 H150 117.8 . . ?
C152 C150 H150 117.8 . . ?
C149 C151 C153 123.1(14) . . ?
C149 C151 H151 118.5 . . ?
C153 C151 H151 118.5 . . ?
C150 C152 C153 116.5(15) . . ?
C150 C152 H152 121.7 . . ?
C153 C152 H152 121.7 . . ?
C151 C153 C152 117.8(14) . . ?
C151 C153 C154 122.7(15) . . ?
C152 C153 C154 119.3(17) . . ?
C153 C154 N23 113.0(14) . . ?
C153 C154 H15A 109.0 . . ?
N23 C154 H15A 109.0 . . ?
C153 C154 H15B 109.0 . . ?
N23 C154 H15B 109.0 . . ?
H15A C154 H15B 107.8 . . ?
C160 C155 C156 122.8(18) . . ?
C160 C155 N23 119.7(17) . . ?
C156 C155 N23 117.5(18) . . ?
C157 C156 C155 119(2) . . ?
C157 C156 H156 120.4 . . ?
C155 C156 H156 120.4 . . ?
C156 C157 C158 119(2) . . ?
C156 C157 H157 120.6 . . ?
C158 C157 H157 120.6 . . ?
C157 C158 C159 119.6(19) . . ?
C157 C158 H158 120.2 . . ?
C159 C158 H158 120.2 . . ?
C160 C159 C158 117(2) . . ?
C160 C159 H159 121.6 . . ?
C158 C159 H159 121.6 . . ?
C155 C160 C159 123(2) . . ?
C155 C160 N24 118.1(14) . . ?
C159 C160 N24 119.1(17) . . ?
C162 C161 N24 115.9(11) . . ?
C162 C161 H16A 108.3 . . ?
N24 C161 H16A 108.3 . . ?
C162 C161 H16B 108.3 . . ?
N24 C161 H16B 108.3 . . ?
H16A C161 H16B 107.4 . . ?
C163 C162 C164 118.1(13) . . ?
C163 C162 C161 120.6(15) . . ?
C164 C162 C161 120.9(14) . . ?
C162 C163 C165 122.8(15) . . ?
C162 C163 H163 118.6 . . ?
C165 C163 H163 118.6 . . ?
C162 C164 C166 120.4(14) . . ?
C162 C164 H164 119.8 . . ?
C166 C164 H164 119.8 . . ?
C163 C165 C167 117.4(14) . . ?
C163 C165 H165 121.3 . . ?
C167 C165 H165 121.3 . . ?
C167 C166 C164 121.8(14) . . ?
C167 C166 H166 119.1 . . ?
C164 C166 H166 119.1 . . ?
C166 C167 C165 119.4(12) . . ?
C166 C167 C168 123.1(13) . . ?
C165 C167 C168 117.5(13) . . ?
N19 C168 C167 112.3(8) . . ?
N19 C168 H16C 109.1 . . ?
C167 C168 H16C 109.1 . . ?
N19 C168 H16D 109.1 . . ?
C167 C168 H16D 109.1 . . ?
H16C C168 H16D 107.9 . . ?
C1G O5G C5G 123(3) . . ?
O1G C1G O5G 118(3) . . ?
O1G C1G C2G 96(3) . . ?
O5G C1G C2G 113(3) . . ?
O1G C1G H1G 110.0 . . ?
O5G C1G H1G 110.0 . . ?
C2G C1G H1G 110.0 . . ?
O2G C2G C1G 107(4) . . ?
O2G C2G C3G 107(4) . . ?
C1G C2G C3G 114(3) . . ?
O2G C2G H2G 109.8 . . ?
C1G C2G H2G 109.8 . . ?
C3G C2G H2G 109.8 . . ?
O3G C3G C2G 100(3) . . ?
O3G C3G C4G 108(3) . . ?
C2G C3G C4G 108(3) . . ?
O3G C3G H3G 113.0 . . ?
C2G C3G H3G 113.0 . . ?
C4G C3G H3G 113.0 . . ?
O4G C4G C3G 111(3) . . ?
O4G C4G C5G 112(4) . . ?
C3G C4G C5G 112(3) . . ?
O4G C4G H4G 106.9 . . ?
C3G C4G H4G 106.9 . . ?
C5G C4G H4G 106.9 . . ?
O5G C5G C6G 124(4) . . ?
O5G C5G C4G 107(3) . . ?
C6G C5G C4G 120(4) . . ?
O5G C5G H5G 99.7 . . ?
C6G C5G H5G 99.7 . . ?
C4G C5G H5G 99.7 . . ?
O6G C6G C5G 113(5) . . ?
O6G C6G H6G1 109.1 . . ?
C5G C6G H6G1 109.1 . . ?
O6G C6G H6G2 109.1 . . ?
C5G C6G H6G2 109.1 . . ?
H6G1 C6G H6G2 107.8 . . ?

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
C42 N1 C1 C6 -105.2(10) . . . . ?
Pd1 N1 C1 C6 19.6(11) . . . . ?
C42 N1 C1 C2 77.5(12) . . . . ?
Pd1 N1 C1 C2 -157.6(8) . . . . ?
C6 C1 C2 C3 4.4(16) . . . . ?
N1 C1 C2 C3 -178.4(9) . . . . ?
C1 C2 C3 C4 0.4(17) . . . . ?
C2 C3 C4 C5 -4.7(19) . . . . ?
C3 C4 C5 C6 4.1(19) . . . . ?
C2 C1 C6 C5 -5.1(17) . . . . ?
N1 C1 C6 C5 177.7(10) . . . . ?
C2 C1 C6 N2 169.4(9) . . . . ?
N1 C1 C6 N2 -7.8(14) . . . . ?
C4 C5 C6 C1 0.7(18) . . . . ?
C4 C5 C6 N2 -173.6(10) . . . . ?
C7 N2 C6 C1 119.9(11) . . . . ?
Pd1 N2 C6 C1 -8.2(11) . . . . ?
C7 N2 C6 C5 -65.5(13) . . . . ?
Pd1 N2 C6 C5 166.4(9) . . . . ?
C6 N2 C7 C8 -67.5(13) . . . . ?
Pd1 N2 C7 C8 57.5(11) . . . . ?
N2 C7 C8 C10 82.8(14) . . . . ?
N2 C7 C8 C9 -94.2(12) . . . . ?
C10 C8 C9 C11 2.5(16) . . . . ?
C7 C8 C9 C11 179.7(10) . . . . ?
C9 C8 C10 C12 -1.6(17) . . . . ?
C7 C8 C10 C12 -178.7(11) . . . . ?
C8 C9 C11 C13 -2.5(17) . . . . ?
C8 C10 C12 C13 0.8(19) . . . . ?
C10 C12 C13 C11 -0.6(17) . . . . ?
C10 C12 C13 C14 -177.9(11) . . . . ?
C9 C11 C13 C12 1.5(17) . . . . ?
C9 C11 C13 C14 178.8(11) . . . . ?
C12 C13 C14 N3 97.8(13) . . . . ?
C11 C13 C14 N3 -79.3(14) . . . . ?
C15 N3 C14 C13 -68.9(13) . . . . ?
Pd2 N3 C14 C13 172.6(8) . . . . ?
C14 N3 C15 C20 -100.9(16) . . . . ?
Pd2 N3 C15 C20 19.7(16) . . . . ?
C14 N3 C15 C16 73.5(13) . . . . ?
Pd2 N3 C15 C16 -165.8(9) . . . . ?
C20 C15 C16 C17 -6(2) . . . . ?
N3 C15 C16 C17 179.2(14) . . . . ?
C15 C16 C17 C18 6(3) . . . . ?
C16 C17 C18 C19 -3(3) . . . . ?
C17 C18 C19 C20 0(3) . . . . ?
N3 C15 C20 C19 177.9(14) . . . . ?
C16 C15 C20 C19 4(2) . . . . ?
N3 C15 C20 N4 -12(2) . . . . ?
C16 C15 C20 N4 173.3(11) . . . . ?
C18 C19 C20 C15 -1(3) . . . . ?
C18 C19 C20 N4 -170.1(15) . . . . ?
C21 N4 C20 C15 124.8(13) . . . . ?
Pd2 N4 C20 C15 -2.6(14) . . . . ?
C21 N4 C20 C19 -65.0(16) . . . . ?
Pd2 N4 C20 C19 167.6(12) . . . . ?
C20 N4 C21 C22 -75.1(15) . . . . ?
Pd2 N4 C21 C22 48.5(15) . . . . ?
N4 C21 C22 C24 87.8(16) . . . . ?
N4 C21 C22 C23 -89.5(14) . . . . ?
C24 C22 C23 C25 -0.1(18) . . . . ?
C21 C22 C23 C25 177.3(12) . . . . ?
C23 C22 C24 C26 1.4(18) . . . . ?
C21 C22 C24 C26 -175.9(11) . . . . ?
C22 C23 C25 C27 -1.2(19) . . . . ?
C22 C24 C26 C27 -1.4(19) . . . . ?
C24 C26 C27 C25 0.1(17) . . . . ?
C24 C26 C27 C28 179.2(11) . . . . ?
C23 C25 C27 C26 1.2(18) . . . . ?
C23 C25 C27 C28 -177.9(11) . . . . ?
C26 C27 C28 N5 97.8(13) . . . . ?
C25 C27 C28 N5 -83.1(13) . . . . ?
C29 N5 C28 C27 -79.2(11) . . . . ?
Pd3 N5 C28 C27 160.2(8) . . . . ?
C28 N5 C29 C34 -106.3(10) . . . . ?
Pd3 N5 C29 C34 15.3(9) . . . . ?
C28 N5 C29 C30 72.6(11) . . . . ?
Pd3 N5 C29 C30 -165.9(8) . . . . ?
C34 C29 C30 C31 2.8(18) . . . . ?
N5 C29 C30 C31 -175.8(9) . . . . ?
C29 C30 C31 C32 -3.3(18) . . . . ?
C30 C31 C32 C33 2.1(19) . . . . ?
C31 C32 C33 C34 0.1(18) . . . . ?
C30 C29 C34 C33 -0.7(16) . . . . ?
N5 C29 C34 C33 178.0(8) . . . . ?
C30 C29 C34 N6 175.1(10) . . . . ?
N5 C29 C34 N6 -6.2(12) . . . . ?
C32 C33 C34 C29 -0.9(15) . . . . ?
C32 C33 C34 N6 -176.9(9) . . . . ?
C35 N6 C34 C29 126.0(10) . . . . ?
Pd3 N6 C34 C29 -6.2(11) . . . . ?
C35 N6 C34 C33 -58.4(12) . . . . ?
Pd3 N6 C34 C33 169.4(8) . . . . ?
C34 N6 C35 C36 -73.3(12) . . . . ?
Pd3 N6 C35 C36 54.8(11) . . . . ?
N6 C35 C36 C37 -107.1(11) . . . . ?
N6 C35 C36 C38 72.8(14) . . . . ?
C38 C36 C37 C39 -1.5(15) . . . . ?
C35 C36 C37 C39 178.4(9) . . . . ?
C37 C36 C38 C40 4.9(16) . . . . ?
C35 C36 C38 C40 -175.0(10) . . . . ?
C36 C37 C39 C41 -1.5(16) . . . . ?
C36 C38 C40 C41 -5.2(16) . . . . ?
C37 C39 C41 C40 1.2(16) . . . . ?
C37 C39 C41 C42 178.5(9) . . . . ?
C38 C40 C41 C39 2.1(16) . . . . ?
C38 C40 C41 C42 -175.2(10) . . . . ?
C39 C41 C42 N1 -80.2(13) . . . . ?
C40 C41 C42 N1 97.1(12) . . . . ?
C1 N1 C42 C41 -67.9(11) . . . . ?
Pd1 N1 C42 C41 170.5(7) . . . . ?
N12 Pd6 N11 C71 -16.4(11) . . . . ?
Cl11 Pd6 N11 C71 162.0(10) . . . . ?
N12 Pd6 N11 C70 120.4(11) . . . . ?
Cl11 Pd6 N11 C70 -61.2(10) . . . . ?
C84 N7 C43 C44 61.6(14) . . . . ?
Pd4 N7 C43 C44 -169.0(10) . . . . ?
C84 N7 C43 C48 -120.9(11) . . . . ?
Pd4 N7 C43 C48 8.5(12) . . . . ?
C48 C43 C44 C45 -4(2) . . . . ?
N7 C43 C44 C45 172.9(12) . . . . ?
C43 C44 C45 C46 3(2) . . . . ?
C44 C45 C46 C47 -1(2) . . . . ?
C45 C46 C47 C48 -1(2) . . . . ?
C46 C47 C48 C43 -0.7(17) . . . . ?
C46 C47 C48 N8 177.9(11) . . . . ?
C44 C43 C48 C47 3.3(18) . . . . ?
N7 C43 C48 C47 -174.2(10) . . . . ?
C44 C43 C48 N8 -175.3(11) . . . . ?
N7 C43 C48 N8 7.1(15) . . . . ?
C49 N8 C48 C47 -74.0(13) . . . . ?
Pd4 N8 C48 C47 162.3(9) . . . . ?
C49 N8 C48 C43 104.6(11) . . . . ?
Pd4 N8 C48 C43 -19.1(11) . . . . ?
C48 N8 C49 C50 62.4(11) . . . . ?
Pd4 N8 C49 C50 -175.6(7) . . . . ?
N8 C49 C50 C51 75.6(13) . . . . ?
N8 C49 C50 C52 -101.8(12) . . . . ?
C52 C50 C51 C53 -1.0(18) . . . . ?
C49 C50 C51 C53 -178.4(11) . . . . ?
C51 C50 C52 C54 2.1(17) . . . . ?
C49 C50 C52 C54 179.4(10) . . . . ?
C50 C51 C53 C55 0.4(18) . . . . ?
C50 C52 C54 C55 -2.7(17) . . . . ?
C52 C54 C55 C53 2.2(17) . . . . ?
C52 C54 C55 C56 -177.8(10) . . . . ?
C51 C53 C55 C54 -1.0(18) . . . . ?
C51 C53 C55 C56 178.9(11) . . . . ?
C54 C55 C56 N9 -96.2(14) . . . . ?
C53 C55 C56 N9 83.8(14) . . . . ?
C57 N9 C56 C55 -57.6(14) . . . . ?
Pd5 N9 C56 C55 68.6(14) . . . . ?
C56 N9 C57 C62 120.4(11) . . . . ?
Pd5 N9 C57 C62 -11.2(11) . . . . ?
C56 N9 C57 C58 -64.9(14) . . . . ?
Pd5 N9 C57 C58 163.5(10) . . . . ?
C62 C57 C58 C59 -7(2) . . . . ?
N9 C57 C58 C59 179.3(11) . . . . ?
C57 C58 C59 C60 -0.3(19) . . . . ?
C58 C59 C60 C61 0(2) . . . . ?
C59 C60 C61 C62 6.9(18) . . . . ?
C58 C57 C62 N10 176.5(12) . . . . ?
N9 C57 C62 N10 -9.0(17) . . . . ?
C58 C57 C62 C61 12.7(18) . . . . ?
N9 C57 C62 C61 -172.8(9) . . . . ?
C63 N10 C62 C57 -104.3(15) . . . . ?
Pd5 N10 C62 C57 22.8(14) . . . . ?
C63 N10 C62 C61 59.5(13) . . . . ?
Pd5 N10 C62 C61 -173.3(7) . . . . ?
C60 C61 C62 C57 -12.6(16) . . . . ?
C60 C61 C62 N10 -178.8(10) . . . . ?
C62 N10 C63 C64 -178.6(11) . . . . ?
Pd5 N10 C63 C64 63.2(13) . . . . ?
N10 C63 C64 C66 -100.9(16) . . . . ?
N10 C63 C64 C65 83.2(16) . . . . ?
C66 C64 C65 C67 4(2) . . . . ?
C63 C64 C65 C67 -179.7(14) . . . . ?
C65 C64 C66 C68 -2(2) . . . . ?
C63 C64 C66 C68 -177.8(14) . . . . ?
C64 C65 C67 C69 -8(3) . . . . ?
C64 C66 C68 C69 3(3) . . . . ?
C65 C67 C69 C68 8(3) . . . . ?
C65 C67 C69 C70 -169.5(17) . . . . ?
C66 C68 C69 C67 -6(3) . . . . ?
C66 C68 C69 C70 171.7(17) . . . . ?
C67 C69 C70 N11 87(2) . . . . ?
C68 C69 C70 N11 -90(2) . . . . ?
C71 N11 C70 C69 90.3(19) . . . . ?
Pd6 N11 C70 C69 -50.1(19) . . . . ?
C70 N11 C71 C72 61(2) . . . . ?
Pd6 N11 C71 C72 -158.8(19) . . . . ?
C70 N11 C71 C76 -128.9(16) . . . . ?
Pd6 N11 C71 C76 11.1(19) . . . . ?
C76 C71 C72 C73 1(3) . . . . ?
N11 C71 C72 C73 170.1(19) . . . . ?
C71 C72 C73 C74 -4(3) . . . . ?
C72 C73 C74 C75 3(3) . . . . ?
C73 C74 C75 C76 0(3) . . . . ?
C74 C75 C76 C71 -4(3) . . . . ?
C74 C75 C76 N12 -175.8(15) . . . . ?
C72 C71 C76 C75 4(3) . . . . ?
N11 C71 C76 C75 -167.5(17) . . . . ?
C72 C71 C76 N12 175.8(16) . . . . ?
N11 C71 C76 N12 5(2) . . . . ?
C77 N12 C76 C75 -84.6(19) . . . . ?
Pd6 N12 C76 C75 156.6(13) . . . . ?
C77 N12 C76 C71 102.5(17) . . . . ?
Pd6 N12 C76 C71 -16.3(17) . . . . ?
C76 N12 C77 C78 58(2) . . . . ?
Pd6 N12 C77 C78 177.8(12) . . . . ?
N12 C77 C78 C80 -95.2(16) . . . . ?
N12 C77 C78 C79 87.3(17) . . . . ?
C80 C78 C79 C81 0.3(19) . . . . ?
C77 C78 C79 C81 177.9(11) . . . . ?
C79 C78 C80 C82 -1.7(18) . . . . ?
C77 C78 C80 C82 -179.2(11) . . . . ?
C78 C79 C81 C83 2.4(18) . . . . ?
C78 C80 C82 C83 0.5(18) . . . . ?
C79 C81 C83 C82 -3.6(17) . . . . ?
C79 C81 C83 C84 178.8(10) . . . . ?
C80 C82 C83 C81 2.2(17) . . . . ?
C80 C82 C83 C84 179.7(10) . . . . ?
C43 N7 C84 C83 78.5(13) . . . . ?
Pd4 N7 C84 C83 -47.5(13) . . . . ?
C81 C83 C84 N7 85.7(14) . . . . ?
C82 C83 C84 N7 -91.8(13) . . . . ?
C126 N13 C85 C86 -76.2(12) . . . . ?
Pd7 N13 C85 C86 158.6(8) . . . . ?
C126 N13 C85 C90 104.0(10) . . . . ?
Pd7 N13 C85 C90 -21.3(11) . . . . ?
C90 C85 C86 C87 -1.8(16) . . . . ?
N13 C85 C86 C87 178.4(10) . . . . ?
C85 C86 C87 C88 -3.0(17) . . . . ?
C86 C87 C88 C89 6.2(18) . . . . ?
C87 C88 C89 C90 -4.6(17) . . . . ?
C88 C89 C90 C85 -0.3(17) . . . . ?
C88 C89 C90 N14 173.5(10) . . . . ?
C86 C85 C90 C89 3.4(16) . . . . ?
N13 C85 C90 C89 -176.7(10) . . . . ?
C86 C85 C90 N14 -170.5(9) . . . . ?
N13 C85 C90 N14 9.3(14) . . . . ?
C91 N14 C90 C89 65.5(12) . . . . ?
Pd7 N14 C90 C89 -166.1(9) . . . . ?
C91 N14 C90 C85 -120.4(10) . . . . ?
Pd7 N14 C90 C85 7.9(11) . . . . ?
C90 N14 C91 C92 71.6(11) . . . . ?
Pd7 N14 C91 C92 -52.7(10) . . . . ?
N14 C91 C92 C94 -89.1(13) . . . . ?
N14 C91 C92 C93 94.4(12) . . . . ?
C94 C92 C93 C95 2.5(17) . . . . ?
C91 C92 C93 C95 179.0(10) . . . . ?
C93 C92 C94 C96 -3.8(17) . . . . ?
C91 C92 C94 C96 179.7(11) . . . . ?
C92 C93 C95 C97 -1.2(17) . . . . ?
C92 C94 C96 C97 3.8(18) . . . . ?
C93 C95 C97 C96 1.1(17) . . . . ?
C93 C95 C97 C98 -177.1(10) . . . . ?
C94 C96 C97 C95 -2.4(18) . . . . ?
C94 C96 C97 C98 175.8(11) . . . . ?
C99 N15 C98 C97 68.4(14) . . . . ?
Pd8 N15 C98 C97 -172.1(9) . . . . ?
C95 C97 C98 N15 78.3(14) . . . . ?
C96 C97 C98 N15 -99.9(14) . . . . ?
C98 N15 C99 C104 107.2(16) . . . . ?
Pd8 N15 C99 C104 -15.8(17) . . . . ?
C98 N15 C99 C100 -70.9(15) . . . . ?
Pd8 N15 C99 C100 166.1(11) . . . . ?
C104 C99 C100 C101 3(3) . . . . ?
N15 C99 C100 C101 -179.3(17) . . . . ?
C99 C100 C101 C102 -5(3) . . . . ?
C100 C101 C102 C103 5(4) . . . . ?
C101 C102 C103 C104 -3(4) . . . . ?
N15 C99 C104 N16 6(2) . . . . ?
C100 C99 C104 N16 -176.2(13) . . . . ?
N15 C99 C104 C103 -178.5(13) . . . . ?
C100 C99 C104 C103 0(3) . . . . ?
C105 N16 C104 C99 -120.2(17) . . . . ?
Pd8 N16 C104 C99 7.8(18) . . . . ?
C105 N16 C104 C103 63.8(17) . . . . ?
Pd8 N16 C104 C103 -168.2(12) . . . . ?
C102 C103 C104 C99 0(3) . . . . ?
C102 C103 C104 N16 176.4(18) . . . . ?
C104 N16 C105 C106 73.2(17) . . . . ?
Pd8 N16 C105 C106 -50.5(14) . . . . ?
N16 C105 C106 C107 92.8(15) . . . . ?
N16 C105 C106 C108 -86.8(16) . . . . ?
C108 C106 C107 C109 2.2(19) . . . . ?
C105 C106 C107 C109 -177.4(11) . . . . ?
C107 C106 C108 C110 -1.3(19) . . . . ?
C105 C106 C108 C110 178.3(11) . . . . ?
C106 C107 C109 C111 -1.7(18) . . . . ?
C106 C108 C110 C111 -0.2(19) . . . . ?
C107 C109 C111 C110 0.2(17) . . . . ?
C107 C109 C111 C112 176.8(10) . . . . ?
C108 C110 C111 C109 0.7(17) . . . . ?
C108 C110 C111 C112 -175.8(11) . . . . ?
C109 C111 C112 N17 85.6(13) . . . . ?
C110 C111 C112 N17 -97.9(13) . . . . ?
C113 N17 C112 C111 78.1(12) . . . . ?
Pd9 N17 C112 C111 -161.4(9) . . . . ?
C112 N17 C113 C114 -76.2(12) . . . . ?
Pd9 N17 C113 C114 163.4(9) . . . . ?
C112 N17 C113 C118 106.8(10) . . . . ?
Pd9 N17 C113 C118 -13.6(9) . . . . ?
C118 C113 C114 C115 -4(2) . . . . ?
N17 C113 C114 C115 179.8(11) . . . . ?
C113 C114 C115 C116 0(2) . . . . ?
C114 C115 C116 C117 0(2) . . . . ?
C115 C116 C117 C118 2(2) . . . . ?
C114 C113 C118 C117 5.9(17) . . . . ?
N17 C113 C118 C117 -177.5(8) . . . . ?
C114 C113 C118 N18 -172.3(11) . . . . ?
N17 C113 C118 N18 4.3(13) . . . . ?
C116 C117 C118 C113 -4.6(16) . . . . ?
C116 C117 C118 N18 173.7(11) . . . . ?
C119 N18 C118 C113 -126.4(10) . . . . ?
Pd9 N18 C118 C113 7.3(12) . . . . ?
C119 N18 C118 C117 55.5(12) . . . . ?
Pd9 N18 C118 C117 -170.7(8) . . . . ?
C118 N18 C119 C120 75.6(12) . . . . ?
Pd9 N18 C119 C120 -54.6(12) . . . . ?
N18 C119 C120 C121 107.6(12) . . . . ?
N18 C119 C120 C122 -70.2(14) . . . . ?
C122 C120 C121 C123 -1.8(16) . . . . ?
C119 C120 C121 C123 -179.6(10) . . . . ?
C121 C120 C122 C124 0.6(16) . . . . ?
C119 C120 C122 C124 178.4(10) . . . . ?
C120 C121 C123 C125 2.9(16) . . . . ?
C120 C122 C124 C125 -0.6(17) . . . . ?
C122 C124 C125 C123 1.6(17) . . . . ?
C122 C124 C125 C126 177.7(10) . . . . ?
C121 C123 C125 C124 -2.8(16) . . . . ?
C121 C123 C125 C126 -178.9(9) . . . . ?
C85 N13 C126 C125 67.8(12) . . . . ?
Pd7 N13 C126 C125 -170.4(7) . . . . ?
C124 C125 C126 N13 -96.1(12) . . . . ?
C123 C125 C126 N13 79.9(12) . . . . ?
C168 N19 C127 C132 119.2(12) . . . . ?
Pd10 N19 C127 C132 -9.8(13) . . . . ?
C168 N19 C127 C128 -64.7(16) . . . . ?
Pd10 N19 C127 C128 166.4(12) . . . . ?
C132 C127 C128 C129 2(2) . . . . ?
N19 C127 C128 C129 -174.4(14) . . . . ?
C127 C128 C129 C130 3(2) . . . . ?
C128 C129 C130 C131 -6(2) . . . . ?
C129 C130 C131 C132 4(2) . . . . ?
C128 C127 C132 C131 -4.0(19) . . . . ?
N19 C127 C132 C131 172.3(11) . . . . ?
C128 C127 C132 N20 177.6(12) . . . . ?
N19 C127 C132 N20 -6.1(16) . . . . ?
C130 C131 C132 C127 1.2(19) . . . . ?
C130 C131 C132 N20 179.5(12) . . . . ?
C133 N20 C132 C127 -104.1(12) . . . . ?
Pd10 N20 C132 C127 18.5(12) . . . . ?
C133 N20 C132 C131 77.5(13) . . . . ?
Pd10 N20 C132 C131 -159.8(9) . . . . ?
C132 N20 C133 C134 -64.0(12) . . . . ?
Pd10 N20 C133 C134 174.3(7) . . . . ?
N20 C133 C134 C135 -81.7(13) . . . . ?
N20 C133 C134 C136 98.9(12) . . . . ?
C136 C134 C135 C137 -3.0(18) . . . . ?
C133 C134 C135 C137 177.5(10) . . . . ?
C135 C134 C136 C138 -0.4(18) . . . . ?
C133 C134 C136 C138 179.1(10) . . . . ?
C134 C135 C137 C139 6.2(19) . . . . ?
C134 C136 C138 C139 1.0(18) . . . . ?
C135 C137 C139 C138 -5.5(18) . . . . ?
C135 C137 C139 C140 175.1(11) . . . . ?
C136 C138 C139 C137 1.9(18) . . . . ?
C136 C138 C139 C140 -178.7(11) . . . . ?
C141 N21 C140 C139 60.4(15) . . . . ?
Pd11 N21 C140 C139 -65.4(15) . . . . ?
C137 C139 C140 N21 -85.9(15) . . . . ?
C138 C139 C140 N21 94.7(15) . . . . ?
C140 N21 C141 C146 -119.6(11) . . . . ?
Pd11 N21 C141 C146 11.9(12) . . . . ?
C140 N21 C141 C142 66.9(15) . . . . ?
Pd11 N21 C141 C142 -161.7(11) . . . . ?
C146 C141 C142 C143 6(2) . . . . ?
N21 C141 C142 C143 179.2(12) . . . . ?
C141 C142 C143 C144 1(2) . . . . ?
C142 C143 C144 C145 -4(2) . . . . ?
C143 C144 C145 C146 0(2) . . . . ?
C142 C141 C146 N22 -175.1(13) . . . . ?
N21 C141 C146 N22 11.2(19) . . . . ?
C142 C141 C146 C145 -9.5(18) . . . . ?
N21 C141 C146 C145 176.9(10) . . . . ?
C142 C141 C146 Pd11 165.0(13) . . . . ?
N21 C141 C146 Pd11 -8.7(9) . . . . ?
C147 N22 C146 C141 101.3(18) . . . . ?
Pd11 N22 C146 C141 -25.6(16) . . . . ?
C147 N22 C146 C145 -64.4(14) . . . . ?
Pd11 N22 C146 C145 168.8(9) . . . . ?
C147 N22 C146 Pd11 126.9(12) . . . . ?
C144 C145 C146 C141 6.3(19) . . . . ?
C144 C145 C146 N22 174.5(13) . . . . ?
C144 C145 C146 Pd11 -155(2) . . . . ?
C146 N22 C147 C148 177.5(11) . . . . ?
Pd11 N22 C147 C148 -65.8(13) . . . . ?
N22 C147 C148 C150 101.1(17) . . . . ?
N22 C147 C148 C149 -76.5(18) . . . . ?
C150 C148 C149 C151 4(3) . . . . ?
C147 C148 C149 C151 -178.2(16) . . . . ?
C149 C148 C150 C152 -3(3) . . . . ?
C147 C148 C150 C152 179.7(15) . . . . ?
C148 C149 C151 C153 -5(3) . . . . ?
C148 C150 C152 C153 2(3) . . . . ?
C149 C151 C153 C152 4(3) . . . . ?
C149 C151 C153 C154 179.8(17) . . . . ?
C150 C152 C153 C151 -2(3) . . . . ?
C150 C152 C153 C154 -178.2(16) . . . . ?
C151 C153 C154 N23 -80(2) . . . . ?
C152 C153 C154 N23 96(2) . . . . ?
C155 N23 C154 C153 -83.8(19) . . . . ?
Pd12 N23 C154 C153 39.4(19) . . . . ?
C154 N23 C155 C160 119.1(18) . . . . ?
Pd12 N23 C155 C160 -12.2(17) . . . . ?
C154 N23 C155 C156 -63(2) . . . . ?
Pd12 N23 C155 C156 165.3(15) . . . . ?
C160 C155 C156 C157 4(3) . . . . ?
N23 C155 C156 C157 -173.7(17) . . . . ?
C155 C156 C157 C158 -2(3) . . . . ?
C156 C157 C158 C159 -1(3) . . . . ?
C157 C158 C159 C160 3(3) . . . . ?
C156 C155 C160 C159 -2(3) . . . . ?
N23 C155 C160 C159 175.7(14) . . . . ?
C156 C155 C160 N24 176.2(16) . . . . ?
N23 C155 C160 N24 -7(2) . . . . ?
C158 C159 C160 C155 -2(3) . . . . ?
C158 C159 C160 N24 -179.5(14) . . . . ?
C161 N24 C160 C155 -101.8(16) . . . . ?
Pd12 N24 C160 C155 22.4(17) . . . . ?
C161 N24 C160 C159 76.1(19) . . . . ?
Pd12 N24 C160 C159 -159.7(12) . . . . ?
C160 N24 C161 C162 -55(2) . . . . ?
Pd12 N24 C161 C162 -177.6(12) . . . . ?
N24 C161 C162 C163 -83.5(19) . . . . ?
N24 C161 C162 C164 88.4(18) . . . . ?
C164 C162 C163 C165 3(2) . . . . ?
C161 C162 C163 C165 175.0(12) . . . . ?
C163 C162 C164 C166 -3(2) . . . . ?
C161 C162 C164 C166 -175.4(12) . . . . ?
C162 C163 C165 C167 0(2) . . . . ?
C162 C164 C166 C167 1(2) . . . . ?
C164 C166 C167 C165 1.3(19) . . . . ?
C164 C166 C167 C168 178.3(11) . . . . ?
C163 C165 C167 C166 -1.8(18) . . . . ?
C163 C165 C167 C168 -178.9(11) . . . . ?
C127 N19 C168 C167 -76.3(15) . . . . ?
Pd10 N19 C168 C167 49.3(14) . . . . ?
C166 C167 C168 N19 92.8(15) . . . . ?
C165 C167 C168 N19 -90.1(14) . . . . ?
C5G O5G C1G O1G 62(5) . . . . ?
C5G O5G C1G C2G -48(5) . . . . ?
O1G C1G C2G O2G 168(4) . . . . ?
O5G C1G C2G O2G -69(5) . . . . ?
O1G C1G C2G C3G -74(4) . . . . ?
O5G C1G C2G C3G 49(5) . . . . ?
O2G C2G C3G O3G -50(4) . . . . ?
C1G C2G C3G O3G -167(3) . . . . ?
O2G C2G C3G C4G 63(4) . . . . ?
C1G C2G C3G C4G -54(4) . . . . ?
O3G C3G C4G O4G -70(5) . . . . ?
C2G C3G C4G O4G -178(4) . . . . ?
O3G C3G C4G C5G 163(3) . . . . ?
C2G C3G C4G C5G 55(4) . . . . ?
C1G O5G C5G C6G -165(4) . . . . ?
C1G O5G C5G C4G 47(5) . . . . ?
O4G C4G C5G O5G -175(4) . . . . ?
C3G C4G C5G O5G -49(5) . . . . ?
O4G C4G C5G C6G 35(6) . . . . ?
C3G C4G C5G C6G 161(4) . . . . ?
O5G C5G C6G O6G -72(7) . . . . ?
C4G C5G C6G O6G 72(7) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl14 . . . 3.229(9) 1.000 2.284 157.0 no
N2 H2N Cl20 . . . 3.264(9) 1.000 2.400 144.1 no
N3 H3N Cl15 . . 1_556 3.203(10) 1.000 2.339 144.1 no
N4 H4N O4W . . 1_556 2.839(16) 1.000 1.905 154.1 no
N6 H6N Cl2 . . 1_455 3.118(8) 1.000 2.198 152.2 no
N9 H9N O9W^e . . 1_655 2.942 1.000 1.981 160.5 no
N10 H10N Cl23 . . 2_756 3.161(12) 1.000 2.279 146.4 no
N12 H12N O7W . . 2_656 2.882 1.000 1.894 169.2 no
N13 H13N Cl2 . . . 3.242(9) 1.000 2.303 155.8 no
N14 H14N Cl8 . . . 3.245(9) 1.000 2.372 145.4 no
N15 H15N Cl3 . . 1_554 3.247(10) 1.000 2.382 144.3 no
N16 H16N O2W . . 1_554 2.820(15) 1.000 1.874 156.7 no
N18 H18N Cl14 . . 1_655 3.131(8) 1.000 2.210 152.3 no
N21 H21N O21W . . . 2.822 1.000 1.843 165.4 no
N22 H22N Cl11 . . 2_646 3.192(12) 1.000 2.317 145.6 no
N23 H23N Cl10 . . 2_746 3.226(14) 1.000 2.267 160.3 no
N24 H24N O5W . . 2_746 2.90(2) 1.000 1.921 166.7 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# 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_HAPCPE@MMF
_database_code_depnum_ccdc_archive 'CCDC 1974247'
loop_
_audit_author_name
_audit_author_address
'Shohei Tashiro'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6'
_chemical_formula_moiety         
'2(C42 H42 Cl6 N6 Pd3), 0.301(C8 H8 Cl O), 0.25(C7 H4 Cl O), 0.25(C7), 0.5(C8 H7 O2), 1.399(O), 2.25(C2 H3 N)'
_chemical_formula_weight         2610.44
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
_space_group_IT_number           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.3380(3)
_cell_length_b                   52.9530(10)
_cell_length_c                   19.7623(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.7890(10)
_cell_angle_gamma                90.0000
_cell_volume                     15002.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    139619
_cell_measurement_theta_min      1.62
_cell_measurement_theta_max      27.54
_cell_measurement_temperature    98
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5203.04
_exptl_absorpt_coefficient_mu    0.966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_T_max  0.917

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      98
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            245595
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.615
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -68
_diffrn_reflns_limit_k_max       68
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             68909
_reflns_number_gt                44483
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.978
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1188
_refine_ls_R_factor_gt           0.0787
_refine_ls_wR_factor_ref         0.2658
_refine_ls_wR_factor_gt          0.2253
_refine_ls_number_restraints     512
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         68909
_refine_ls_number_parameters     2293
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1798P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.96
_refine_diff_density_min         -1.79
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 16096 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.068(9)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.23722(5) 0.31689(2) 0.40916(4) 0.0421(2) Uani 1 1 d . . . . .
Pd2 Pd 0.42144(6) 0.32069(2) -0.04075(5) 0.0484(2) Uani 1 1 d . . . . .
Pd3 Pd 0.84507(6) 0.28492(2) 0.27831(5) 0.0512(3) Uani 1 1 d . . . . .
Cl1 Cl 0.26412(19) 0.27367(7) 0.41209(14) 0.0488(7) Uani 1 1 d . . . . .
Cl2 Cl 0.07677(18) 0.31244(7) 0.41120(15) 0.0511(8) Uani 1 1 d . . . . .
Cl3 Cl 0.3583(2) 0.28182(7) -0.01529(18) 0.0587(8) Uani 1 1 d . . . . .
Cl4 Cl 0.4957(2) 0.30545(8) -0.13493(17) 0.0601(9) Uani 1 1 d . . . . .
Cl5 Cl 0.8136(3) 0.25456(9) 0.1974(2) 0.0768(11) Uani 1 1 d . . . . .
Cl6 Cl 0.8760(3) 0.25584(8) 0.3618(2) 0.0730(11) Uani 1 1 d . . . . .
N1 N 0.3767(6) 0.3236(2) 0.4186(5) 0.049(3) Uani 1 1 d . . . . .
H1N H 0.401462 0.313080 0.456953 0.059 Uiso 1 1 calc R U . . .
N2 N 0.2241(6) 0.3552(2) 0.4031(5) 0.046(2) Uani 1 1 d . . . . .
H2N H 0.176865 0.360044 0.437525 0.055 Uiso 1 1 calc R U . . .
N3 N 0.3545(7) 0.3363(2) 0.0399(5) 0.052(3) Uani 1 1 d . . . . .
H3N H 0.287429 0.331047 0.038690 0.062 Uiso 1 1 calc R U . . .
N4 N 0.4728(7) 0.3571(2) -0.0568(6) 0.053(3) Uani 1 1 d . . . . .
H4N H 0.455115 0.361701 -0.104354 0.064 Uiso 1 1 calc R U . . .
N5 N 0.8140(7) 0.3122(2) 0.2102(5) 0.051(3) Uani 1 1 d . . . . .
H5N H 0.842844 0.307594 0.166081 0.061 Uiso 1 1 calc R U . . .
N6 N 0.8805(6) 0.3151(2) 0.3400(5) 0.051(3) Uani 1 1 d . . . . .
H6N H 0.946628 0.311844 0.354172 0.062 Uiso 1 1 calc R U . . .
C1 C 0.3884(8) 0.3508(3) 0.4372(6) 0.044(3) Uani 1 1 d . . . . .
C2 C 0.4676(9) 0.3596(3) 0.4676(7) 0.057(3) Uani 1 1 d . . . . .
H2A H 0.517512 0.348391 0.478131 0.069 Uiso 1 1 calc R U . . .
C3 C 0.4747(9) 0.3854(3) 0.4831(7) 0.061(4) Uani 1 1 d . . . . .
H3A H 0.529533 0.391691 0.504674 0.073 Uiso 1 1 calc R U . . .
C4 C 0.4044(12) 0.4012(3) 0.4677(8) 0.068(4) Uani 1 1 d . . . . .
H4A H 0.411643 0.418718 0.476133 0.082 Uiso 1 1 calc R U . . .
C5 C 0.3198(10) 0.3923(3) 0.4391(7) 0.060(4) Uani 1 1 d . . . . .
H5A H 0.269453 0.403412 0.429397 0.072 Uiso 1 1 calc R U . . .
C6 C 0.3130(8) 0.3666(2) 0.4257(6) 0.046(3) Uani 1 1 d . . . . .
C7 C 0.1887(8) 0.3654(3) 0.3367(6) 0.050(3) Uani 1 1 d . . . . .
H7A H 0.191597 0.384038 0.337721 0.060 Uiso 1 1 calc R U . . .
H7B H 0.122591 0.360414 0.330324 0.060 Uiso 1 1 calc R U . . .
C8 C 0.2450(8) 0.3557(3) 0.2768(6) 0.047(3) Uani 1 1 d . . . . .
C9 C 0.2121(9) 0.3356(3) 0.2384(7) 0.055(3) Uani 1 1 d . . . . .
H9A H 0.153988 0.328128 0.249476 0.066 Uiso 1 1 calc R U . . .
C10 C 0.3273(9) 0.3662(3) 0.2572(6) 0.054(3) Uani 1 1 d . . . . .
H10A H 0.349106 0.380554 0.281388 0.064 Uiso 1 1 calc R U . . .
C11 C 0.2606(9) 0.3264(3) 0.1857(6) 0.054(3) Uani 1 1 d . . . . .
H11A H 0.235675 0.312570 0.160643 0.065 Uiso 1 1 calc R U . . .
C12 C 0.3808(8) 0.3574(3) 0.2051(7) 0.051(3) Uani 1 1 d . . . . .
H12A H 0.438890 0.365124 0.195091 0.061 Uiso 1 1 calc R U . . .
C13 C 0.3475(9) 0.3367(3) 0.1667(6) 0.056(3) Uani 1 1 d . . . . .
C14 C 0.3995(10) 0.3276(3) 0.1071(6) 0.054(3) Uani 1 1 d . . . . .
H14A H 0.401713 0.308899 0.108029 0.065 Uiso 1 1 calc R U . . .
H14B H 0.464368 0.333914 0.109812 0.065 Uiso 1 1 calc R U . . .
C15 C 0.3607(9) 0.3643(3) 0.0301(7) 0.053(3) Uani 1 1 d . . . . .
C16 C 0.3042(12) 0.3808(4) 0.0677(7) 0.073(5) Uani 1 1 d . . . . .
H16A H 0.260734 0.374639 0.099554 0.087 Uiso 1 1 calc R U . . .
C17 C 0.3148(15) 0.4069(4) 0.0562(9) 0.084(5) Uani 1 1 d . . . . .
H17A H 0.276756 0.418386 0.080387 0.101 Uiso 1 1 calc R U . . .
C18 C 0.3717(15) 0.4155(3) 0.0157(10) 0.079(5) Uani 1 1 d . . . . .
H18 H 0.376897 0.433230 0.009722 0.095 Uiso 1 1 calc R U . . .
C19 C 0.4280(13) 0.3994(4) -0.0211(8) 0.074(5) Uani 1 1 d . . . . .
H19A H 0.472062 0.406096 -0.051733 0.088 Uiso 1 1 calc R U . . .
C20 C 0.4203(10) 0.3737(3) -0.0133(6) 0.063(4) Uani 1 1 d . . . . .
C21 C 0.5749(9) 0.3594(3) -0.0517(7) 0.059(4) Uani 1 1 d . . . . .
H21A H 0.592252 0.377518 -0.053778 0.071 Uiso 1 1 calc R U . . .
H21B H 0.603450 0.350807 -0.090713 0.071 Uiso 1 1 calc R U . . .
C22 C 0.6144(9) 0.3479(3) 0.0148(6) 0.055(3) Uani 1 1 d . . . . .
C23 C 0.6399(9) 0.3230(3) 0.0164(7) 0.058(3) Uani 1 1 d . . . . .
H23A H 0.635773 0.313162 -0.023812 0.069 Uiso 1 1 calc R U . . .
C24 C 0.6206(10) 0.3625(3) 0.0737(7) 0.061(4) Uani 1 1 d . . . . .
H24A H 0.604711 0.379946 0.071737 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6717(8) 0.3118(3) 0.0761(6) 0.053(3) Uani 1 1 d . . . . .
H25 H 0.690730 0.294621 0.076387 0.064 Uiso 1 1 calc R U . . .
C26 C 0.6491(9) 0.3523(3) 0.1339(7) 0.057(4) Uani 1 1 d . . . . .
H26 H 0.651503 0.362230 0.173898 0.069 Uiso 1 1 calc R U . . .
C27 C 0.6755(8) 0.3259(3) 0.1352(6) 0.055(3) Uani 1 1 d . . . . .
C28 C 0.7070(8) 0.3137(3) 0.1995(6) 0.056(3) Uani 1 1 d . . . . .
H28A H 0.681441 0.296297 0.200733 0.067 Uiso 1 1 calc R U . . .
H28B H 0.680017 0.323072 0.237876 0.067 Uiso 1 1 calc R U . . .
C29 C 0.8590(6) 0.3374(2) 0.2355(5) 0.038(3) Uani 1 1 d . . . . .
C30 C 0.8649(10) 0.3571(3) 0.1876(7) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.844051 0.355631 0.141943 0.070 Uiso 1 1 calc R U . . .
C31 C 0.9060(12) 0.3796(4) 0.2156(9) 0.074(4) Uani 1 1 d . . . . .
H31 H 0.914787 0.394101 0.187942 0.089 Uiso 1 1 calc R U . . .
C32 C 0.9326(10) 0.3801(3) 0.2831(7) 0.059(3) Uani 1 1 d . . . . .
H32 H 0.959011 0.395094 0.301340 0.070 Uiso 1 1 calc R U . . .
C33 C 0.9224(10) 0.3596(4) 0.3245(7) 0.066(4) Uani 1 1 d . . . . .
H33 H 0.941349 0.360713 0.370625 0.080 Uiso 1 1 calc R U . . .
C34 C 0.8845(8) 0.3373(3) 0.2998(6) 0.052(3) Uani 1 1 d . . . . .
C35 C 0.8286(8) 0.3178(3) 0.4052(6) 0.054(3) Uani 1 1 d . . . . .
H35A H 0.845647 0.334015 0.427176 0.065 Uiso 1 1 calc R U . . .
H35B H 0.846204 0.303926 0.436315 0.065 Uiso 1 1 calc R U . . .
C36 C 0.7250(8) 0.3172(3) 0.3915(5) 0.051(3) Uani 1 1 d . . . . .
C37 C 0.6741(9) 0.2967(3) 0.4053(6) 0.048(3) Uani 1 1 d . . . . .
H37 H 0.703540 0.282037 0.423094 0.058 Uiso 1 1 calc R U . . .
C38 C 0.6801(9) 0.3395(3) 0.3653(6) 0.050(3) Uani 1 1 d . . . . .
H38 H 0.714849 0.354510 0.358048 0.060 Uiso 1 1 calc R U . . .
C39 C 0.5767(8) 0.2968(3) 0.3937(6) 0.052(3) Uani 1 1 d . . . . .
H39 H 0.540856 0.282476 0.405758 0.063 Uiso 1 1 calc R U . . .
C40 C 0.5843(8) 0.3387(3) 0.3508(7) 0.054(3) Uani 1 1 d . . . . .
H40 H 0.554411 0.352882 0.330819 0.064 Uiso 1 1 calc R U . . .
C41 C 0.5331(8) 0.3173(3) 0.3653(6) 0.045(3) Uani 1 1 d . . . . .
C42 C 0.4265(7) 0.3157(3) 0.3547(6) 0.050(3) Uani 1 1 d . . . . .
H42A H 0.407269 0.326881 0.316858 0.060 Uiso 1 1 calc R U . . .
H42B H 0.408800 0.298178 0.342625 0.060 Uiso 1 1 calc R U . . .
Pd4 Pd 0.53493(6) 0.23023(2) 0.42884(5) 0.0559(3) Uani 1 1 d D . . . .
Pd5 Pd 0.02031(12) 0.14199(3) 0.19812(7) 0.0812(4) Uani 1 1 d D . . . .
Pd6 Pd 0.47820(18) 0.05988(4) 0.34957(15) 0.1436(10) Uani 1 1 d D . . . .
Cl7 Cl 0.6729(2) 0.23196(9) 0.4897(2) 0.0711(10) Uani 1 1 d . . . . .
Cl8 Cl 0.4451(2) 0.22466(8) 0.52286(17) 0.0631(9) Uani 1 1 d . . . . .
Cl9 Cl -0.0049(5) 0.15433(11) 0.0877(3) 0.1047(17) Uani 1 1 d . . . . .
Cl10 Cl 0.0548(6) 0.10168(11) 0.1653(3) 0.116(2) Uani 1 1 d . . . . .
Cl11 Cl 0.4028(6) 0.02142(13) 0.3550(5) 0.155(4) Uani 1 1 d . . . . .
Cl12 Cl 0.4813(8) 0.0658(2) 0.4663(5) 0.185(4) Uani 1 1 d . . . . .
N7 N 0.6045(7) 0.2348(2) 0.3391(5) 0.055(3) Uani 1 1 d D . . . .
H7N H 0.647087 0.249624 0.345299 0.066 Uiso 1 1 calc R U . . .
N8 N 0.4167(6) 0.2298(2) 0.3698(5) 0.049(2) Uani 1 1 d D . . . .
H8N H 0.369431 0.241057 0.390986 0.059 Uiso 1 1 calc R U . . .
N9 N -0.0318(9) 0.1755(2) 0.2314(6) 0.072(4) Uani 1 1 d D . . . .
H9N H -0.093584 0.177696 0.207992 0.087 Uiso 1 1 calc R U . . .
N10 N 0.0434(11) 0.1336(3) 0.2986(6) 0.093(5) Uani 1 1 d D . . . .
H10N H 0.020532 0.116125 0.307988 0.112 Uiso 1 1 calc R U . . .
N11 N 0.4793(15) 0.0581(3) 0.2465(8) 0.154(9) Uani 1 1 d D U . . .
H11N H 0.503965 0.040813 0.237033 0.185 Uiso 1 1 calc R U . . .
N12 N 0.5496(13) 0.0933(3) 0.3373(10) 0.148(8) Uani 1 1 d D U . . .
H12N H 0.601755 0.093908 0.371355 0.177 Uiso 1 1 calc R U . . .
C43 C 0.5346(8) 0.2421(3) 0.2863(7) 0.059(4) Uani 1 1 d D . . . .
C44 C 0.5628(9) 0.2520(3) 0.2234(7) 0.061(4) Uani 1 1 d . . . . .
H44 H 0.626813 0.252955 0.211959 0.073 Uiso 1 1 calc R U . . .
C45 C 0.4963(10) 0.2599(4) 0.1805(8) 0.070(4) Uani 1 1 d . . . . .
H45 H 0.514908 0.266218 0.137790 0.084 Uiso 1 1 calc R U . . .
C46 C 0.3983(11) 0.2595(3) 0.1948(9) 0.070(4) Uani 1 1 d . . . . .
H46 H 0.352584 0.265471 0.163484 0.084 Uiso 1 1 calc R U . . .
C47 C 0.3753(9) 0.2498(3) 0.2574(6) 0.051(3) Uani 1 1 d . . . . .
H47 H 0.311571 0.249623 0.269762 0.061 Uiso 1 1 calc R U . . .
C48 C 0.4408(10) 0.2404(3) 0.3026(7) 0.062(4) Uani 1 1 d D . . . .
C49 C 0.3768(9) 0.2030(3) 0.3668(8) 0.056(3) Uani 1 1 d D . . . .
H49A H 0.423061 0.191668 0.345827 0.068 Uiso 1 1 calc R U . . .
H49B H 0.366261 0.196968 0.413488 0.068 Uiso 1 1 calc R U . . .
C50 C 0.2861(8) 0.2015(3) 0.3270(7) 0.056(3) Uani 1 1 d D . . . .
C51 C 0.2073(10) 0.2100(3) 0.3584(8) 0.061(4) Uani 1 1 d . . . . .
H51 H 0.210711 0.215781 0.403829 0.073 Uiso 1 1 calc R U . . .
C52 C 0.2825(10) 0.1926(3) 0.2624(7) 0.053(3) Uani 1 1 d . . . . .
H52 H 0.338489 0.187349 0.241498 0.064 Uiso 1 1 calc R U . . .
C53 C 0.1185(10) 0.2101(3) 0.3220(7) 0.063(4) Uani 1 1 d . . . . .
H53 H 0.064060 0.216849 0.342079 0.075 Uiso 1 1 calc R U . . .
C54 C 0.1975(11) 0.1911(3) 0.2260(8) 0.062(4) Uani 1 1 d . . . . .
H54 H 0.196762 0.184084 0.181672 0.074 Uiso 1 1 calc R U . . .
C55 C 0.1152(9) 0.1995(3) 0.2538(7) 0.057(3) Uani 1 1 d D . . . .
C56 C 0.0231(11) 0.1994(3) 0.2169(9) 0.070(4) Uani 1 1 d D . . . .
H56A H 0.033686 0.200714 0.167620 0.084 Uiso 1 1 calc R U . . .
H56B H -0.013749 0.214312 0.230829 0.084 Uiso 1 1 calc R U . . .
C57 C -0.0523(12) 0.1724(4) 0.3040(8) 0.081(5) Uani 1 1 d D . . . .
C58 C -0.1084(10) 0.1890(4) 0.3379(10) 0.087(6) Uani 1 1 d . . . . .
H58 H -0.133482 0.203039 0.313736 0.104 Uiso 1 1 calc R U . . .
C59 C -0.1297(10) 0.1865(4) 0.4042(10) 0.078(5) Uani 1 1 d . . . . .
H59 H -0.167545 0.198760 0.425688 0.093 Uiso 1 1 calc R U . . .
C60 C -0.0989(15) 0.1677(5) 0.4374(12) 0.100(7) Uani 1 1 d . . . . .
H60 H -0.116946 0.165211 0.483048 0.120 Uiso 1 1 calc R U . . .
C61 C -0.0333(14) 0.1492(4) 0.4041(10) 0.086(5) Uani 1 1 d . . . . .
H61 H -0.004304 0.136168 0.430050 0.104 Uiso 1 1 calc R U . . .
C62 C -0.0148(8) 0.1514(2) 0.3320(9) 0.064(4) Uani 1 1 d D . . . .
C63 C 0.1405(12) 0.1364(3) 0.3264(10) 0.085(5) Uani 1 1 d D . . . .
H63A H 0.140561 0.134627 0.376294 0.101 Uiso 1 1 calc R U . . .
H63B H 0.165504 0.153287 0.315052 0.101 Uiso 1 1 calc R U . . .
C64 C 0.2009(18) 0.1156(4) 0.2947(13) 0.112(8) Uani 1 1 d D . . . .
C65 C 0.2046(18) 0.0932(4) 0.3229(14) 0.114(8) Uani 1 1 d . . . . .
H65 H 0.173867 0.089755 0.364168 0.137 Uiso 1 1 calc R U . . .
C66 C 0.2630(18) 0.1217(4) 0.2369(12) 0.104(7) Uani 1 1 d . . . . .
H66 H 0.268088 0.138735 0.222168 0.125 Uiso 1 1 calc R U . . .
C67 C 0.260(2) 0.0733(5) 0.287(2) 0.172(17) Uani 1 1 d . . . . .
H67 H 0.254141 0.056272 0.301572 0.206 Uiso 1 1 calc R U . . .
C68 C 0.310(2) 0.1044(5) 0.2066(15) 0.144(12) Uani 1 1 d . . . . .
H68 H 0.339416 0.108635 0.165310 0.172 Uiso 1 1 calc R U . . .
C69 C 0.320(3) 0.0784(4) 0.2326(19) 0.164(15) Uani 1 1 d D . . . .
C70 C 0.3875(19) 0.0593(5) 0.2044(15) 0.168(10) Uani 1 1 d D U . . .
H70A H 0.401875 0.063761 0.157020 0.202 Uiso 1 1 calc R U . . .
H70B H 0.357620 0.042405 0.204129 0.202 Uiso 1 1 calc R U . . .
C71 C 0.5524(17) 0.0749(4) 0.2221(14) 0.180(9) Uani 1 1 d D U . . .
C72 C 0.586(2) 0.0743(5) 0.1572(14) 0.232(14) Uani 1 1 d D U . . .
H72 H 0.557654 0.063636 0.124318 0.278 Uiso 1 1 calc R U . . .
C73 C 0.6604(19) 0.0893(5) 0.1399(14) 0.244(15) Uani 1 1 d D U . . .
H73 H 0.684123 0.088643 0.095282 0.292 Uiso 1 1 calc R U . . .
C74 C 0.7007(16) 0.1054(5) 0.1871(15) 0.210(13) Uani 1 1 d D U . . .
H74 H 0.754217 0.114995 0.175898 0.252 Uiso 1 1 calc R U . . .
C75 C 0.6626(15) 0.1073(4) 0.2511(13) 0.178(10) Uani 1 1 d D U . . .
H75 H 0.686051 0.119397 0.282408 0.213 Uiso 1 1 calc R U . . .
C76 C 0.5905(16) 0.0916(4) 0.2688(11) 0.161(8) Uani 1 1 d D U . . .
C77 C 0.4825(15) 0.1157(3) 0.3514(15) 0.114(8) Uani 1 1 d D . . . .
H77A H 0.427149 0.114447 0.321145 0.137 Uiso 1 1 calc R U . . .
H77B H 0.461027 0.114751 0.398774 0.137 Uiso 1 1 calc R U . . .
C78 C 0.5299(15) 0.1399(4) 0.3403(13) 0.097(6) Uani 1 1 d D . . . .
C79 C 0.5749(16) 0.1506(5) 0.3924(12) 0.101(7) Uani 1 1 d . . . . .
H79 H 0.578039 0.141955 0.434546 0.121 Uiso 1 1 calc R U . . .
C80 C 0.5186(15) 0.1532(4) 0.2779(13) 0.096(6) Uani 1 1 d . . . . .
H80 H 0.480884 0.146512 0.242185 0.115 Uiso 1 1 calc R U . . .
C81 C 0.6178(12) 0.1743(5) 0.3861(10) 0.085(6) Uani 1 1 d . . . . .
H81 H 0.648920 0.181247 0.424469 0.102 Uiso 1 1 calc R U . . .
C82 C 0.5649(12) 0.1762(4) 0.2709(10) 0.081(5) Uani 1 1 d . . . . .
H82 H 0.562821 0.184745 0.228609 0.097 Uiso 1 1 calc R U . . .
C83 C 0.6167(10) 0.1875(3) 0.3282(9) 0.067(4) Uani 1 1 d D . . . .
C84 C 0.6662(10) 0.2122(3) 0.3194(9) 0.073(5) Uani 1 1 d D . . . .
H84A H 0.684841 0.214008 0.271636 0.088 Uiso 1 1 calc R U . . .
H84B H 0.723551 0.212288 0.347862 0.088 Uiso 1 1 calc R U . . .
Pd7 Pd 0.25928(5) 0.29667(2) 0.57250(4) 0.0424(2) Uani 1 1 d . . . . .
Pd8 Pd 0.07317(6) 0.29299(2) 1.02213(4) 0.0465(2) Uani 1 1 d . . . . .
Pd9 Pd -0.35087(6) 0.33030(2) 0.69853(5) 0.0571(3) Uani 1 1 d . . . . .
Cl13 Cl 0.2331(2) 0.33965(7) 0.56885(15) 0.0489(7) Uani 1 1 d . . . . .
Cl14 Cl 0.41916(18) 0.30063(7) 0.56995(15) 0.0520(8) Uani 1 1 d . . . . .
Cl15 Cl 0.1393(2) 0.33130(7) 0.99608(18) 0.0558(8) Uani 1 1 d . . . . .
Cl16 Cl -0.0022(2) 0.30906(7) 1.11544(16) 0.0553(8) Uani 1 1 d . . . . .
Cl17 Cl -0.3229(2) 0.36290(9) 0.7744(2) 0.0683(9) Uani 1 1 d . . . . .
Cl18 Cl -0.3836(3) 0.35782(9) 0.6114(2) 0.0735(11) Uani 1 1 d . . . . .
N13 N 0.1201(6) 0.2904(2) 0.5639(4) 0.043(2) Uani 1 1 d . . . . .
H13N H 0.095425 0.301172 0.526108 0.051 Uiso 1 1 calc R U . . .
N14 N 0.2707(6) 0.2584(2) 0.5788(4) 0.045(2) Uani 1 1 d . . . . .
H14N H 0.317616 0.253340 0.544320 0.054 Uiso 1 1 calc R U . . .
N15 N 0.1404(7) 0.2762(2) 0.9426(5) 0.050(3) Uani 1 1 d . . . . .
H15N H 0.207744 0.281019 0.945926 0.060 Uiso 1 1 calc R U . . .
N16 N 0.0192(7) 0.2583(2) 1.0390(5) 0.053(3) Uani 1 1 d . . . . .
H16N H 0.034021 0.253906 1.087206 0.064 Uiso 1 1 calc R U . . .
N17 N -0.3178(7) 0.3033(3) 0.7710(5) 0.058(3) Uani 1 1 d . . . . .
H17N H -0.346559 0.308302 0.814848 0.070 Uiso 1 1 calc R U . . .
N18 N -0.3840(7) 0.3005(3) 0.6411(6) 0.067(4) Uani 1 1 d . . . . .
H18N H -0.450019 0.303501 0.626418 0.080 Uiso 1 1 calc R U . . .
C85 C 0.1082(8) 0.2634(3) 0.5437(6) 0.046(3) Uani 1 1 d . . . . .
C86 C 0.0281(8) 0.2549(3) 0.5115(6) 0.056(3) Uani 1 1 d . . . . .
H86 H -0.021046 0.266400 0.501468 0.067 Uiso 1 1 calc R U . . .
C87 C 0.0191(9) 0.2293(3) 0.4935(7) 0.058(3) Uani 1 1 d . . . . .
H87 H -0.034501 0.223617 0.469239 0.069 Uiso 1 1 calc R U . . .
C88 C 0.0909(10) 0.2122(3) 0.5121(7) 0.060(4) Uani 1 1 d . . . . .
H88 H 0.082903 0.194655 0.504452 0.072 Uiso 1 1 calc R U . . .
C89 C 0.1732(10) 0.2212(3) 0.5417(7) 0.059(4) Uani 1 1 d . . . . .
H89 H 0.222814 0.209914 0.552285 0.071 Uiso 1 1 calc R U . . .
C90 C 0.1819(8) 0.2477(3) 0.5558(6) 0.049(3) Uani 1 1 d . . . . .
C91 C 0.3067(9) 0.2479(3) 0.6461(6) 0.056(3) Uani 1 1 d . . . . .
H91A H 0.303951 0.229257 0.644574 0.067 Uiso 1 1 calc R U . . .
H91B H 0.372917 0.252842 0.652125 0.067 Uiso 1 1 calc R U . . .
C92 C 0.2537(8) 0.2569(3) 0.7053(5) 0.046(3) Uani 1 1 d . . . . .
C93 C 0.2882(9) 0.2772(3) 0.7434(7) 0.058(4) Uani 1 1 d . . . . .
H93 H 0.346720 0.284381 0.732248 0.070 Uiso 1 1 calc R U . . .
C94 C 0.1671(8) 0.2457(3) 0.7220(6) 0.050(3) Uani 1 1 d . . . . .
H94 H 0.142208 0.231891 0.696848 0.060 Uiso 1 1 calc R U . . .
C95 C 0.2373(9) 0.2873(3) 0.7986(6) 0.056(3) Uani 1 1 d . . . . .
H95 H 0.261016 0.301213 0.823852 0.068 Uiso 1 1 calc R U . . .
C96 C 0.1194(8) 0.2560(3) 0.7780(6) 0.050(3) Uani 1 1 d . . . . .
H96 H 0.061992 0.248542 0.790700 0.060 Uiso 1 1 calc R U . . .
C97 C 0.1522(8) 0.2763(3) 0.8149(6) 0.044(3) Uani 1 1 d . . . . .
C98 C 0.1018(9) 0.2867(3) 0.8767(5) 0.050(3) Uani 1 1 d . . . . .
H98A H 0.107634 0.305351 0.877249 0.060 Uiso 1 1 calc R U . . .
H98B H 0.034707 0.282518 0.872847 0.060 Uiso 1 1 calc R U . . .
C99 C 0.1344(9) 0.2493(3) 0.9504(7) 0.054(3) Uani 1 1 d . . . . .
C100 C 0.1920(11) 0.2325(3) 0.9166(7) 0.059(3) Uani 1 1 d . . . . .
H100 H 0.237439 0.238962 0.886641 0.071 Uiso 1 1 calc R U . . .
C101 C 0.1849(13) 0.2062(3) 0.9257(8) 0.073(4) Uani 1 1 d . . . . .
H101 H 0.228231 0.195364 0.904320 0.087 Uiso 1 1 calc R U . . .
C102 C 0.1165(13) 0.1961(4) 0.9646(9) 0.081(5) Uani 1 1 d . . . . .
H102 H 0.105695 0.178410 0.965527 0.097 Uiso 1 1 calc R U . . .
C103 C 0.0600(11) 0.2135(3) 1.0053(8) 0.066(4) Uani 1 1 d . . . . .
H103 H 0.016870 0.207309 1.037326 0.079 Uiso 1 1 calc R U . . .
C104 C 0.0721(9) 0.2397(3) 0.9951(7) 0.056(3) Uani 1 1 d . . . . .
C105 C -0.0874(9) 0.2558(3) 1.0296(7) 0.061(4) Uani 1 1 d . . . . .
H10B H -0.105153 0.237714 1.029747 0.073 Uiso 1 1 calc R U . . .
H10C H -0.119291 0.264202 1.067603 0.073 Uiso 1 1 calc R U . . .
C106 C -0.1171(8) 0.2676(3) 0.9644(7) 0.057(4) Uani 1 1 d . . . . .
C107 C -0.1457(8) 0.2932(3) 0.9638(6) 0.054(3) Uani 1 1 d . . . . .
H107 H -0.144048 0.302924 1.004266 0.065 Uiso 1 1 calc R U . . .
C108 C -0.1177(9) 0.2538(3) 0.9025(7) 0.065(4) Uani 1 1 d . . . . .
H108 H -0.097391 0.236763 0.901717 0.078 Uiso 1 1 calc R U . . .
C109 C -0.1762(9) 0.3040(3) 0.9030(6) 0.054(3) Uani 1 1 d . . . . .
H109 H -0.195089 0.321236 0.902655 0.065 Uiso 1 1 calc R U . . .
C110 C -0.1483(10) 0.2656(3) 0.8428(7) 0.064(4) Uani 1 1 d . . . . .
H110 H -0.147736 0.256597 0.801317 0.077 Uiso 1 1 calc R U . . .
C111 C -0.1797(9) 0.2906(4) 0.8438(6) 0.063(4) Uani 1 1 d . . . . .
C112 C -0.2129(8) 0.3033(3) 0.7797(6) 0.055(3) Uani 1 1 d . . . . .
H11B H -0.185123 0.294496 0.740517 0.067 Uiso 1 1 calc R U . . .
H11C H -0.190226 0.320909 0.779495 0.067 Uiso 1 1 calc R U . . .
C113 C -0.3612(7) 0.2776(3) 0.7470(5) 0.049(3) Uani 1 1 d . . . . .
C114 C -0.3664(9) 0.2596(3) 0.7949(7) 0.061(4) Uani 1 1 d . . . . .
H114 H -0.346436 0.262249 0.840388 0.074 Uiso 1 1 calc R U . . .
C115 C -0.4042(11) 0.2364(4) 0.7716(8) 0.067(4) Uani 1 1 d . . . . .
H115 H -0.408615 0.222130 0.800592 0.081 Uiso 1 1 calc R U . . .
C116 C -0.4354(10) 0.2353(4) 0.7021(8) 0.071(4) Uani 1 1 d . . . . .
H116 H -0.463422 0.220224 0.685663 0.085 Uiso 1 1 calc R U . . .
C117 C -0.4265(9) 0.2544(4) 0.6611(9) 0.069(4) Uani 1 1 d . . . . .
H117 H -0.446227 0.252826 0.615175 0.083 Uiso 1 1 calc R U . . .
C118 C -0.3878(8) 0.2776(3) 0.6841(7) 0.061(4) Uani 1 1 d . . . . .
C119 C -0.3322(9) 0.2961(4) 0.5766(7) 0.062(4) Uani 1 1 d . . . . .
H11D H -0.347345 0.309641 0.543870 0.075 Uiso 1 1 calc R U . . .
H11E H -0.351949 0.279764 0.556473 0.075 Uiso 1 1 calc R U . . .
C120 C -0.2260(7) 0.2956(3) 0.5906(5) 0.048(3) Uani 1 1 d . . . . .
C121 C -0.1754(8) 0.3178(4) 0.5776(6) 0.060(4) Uani 1 1 d . . . . .
H121 H -0.206642 0.332481 0.561794 0.072 Uiso 1 1 calc R U . . .
C122 C -0.1830(9) 0.2744(3) 0.6164(7) 0.059(4) Uani 1 1 d . . . . .
H122 H -0.218441 0.259555 0.623923 0.071 Uiso 1 1 calc R U . . .
C123 C -0.0779(9) 0.3180(3) 0.5883(6) 0.054(3) Uani 1 1 d . . . . .
H123 H -0.042063 0.332408 0.576713 0.064 Uiso 1 1 calc R U . . .
C124 C -0.0870(8) 0.2747(3) 0.6316(7) 0.056(3) Uani 1 1 d . . . . .
H124 H -0.057569 0.260407 0.651784 0.067 Uiso 1 1 calc R U . . .
C125 C -0.0351(8) 0.2966(3) 0.6164(6) 0.050(3) Uani 1 1 d . . . . .
C126 C 0.0685(7) 0.2975(3) 0.6277(6) 0.048(3) Uani 1 1 d . . . . .
H12B H 0.086219 0.285778 0.664647 0.058 Uiso 1 1 calc R U . . .
H12C H 0.086787 0.314807 0.641812 0.058 Uiso 1 1 calc R U . . .
Pd10 Pd -0.03382(7) 0.38357(2) 0.55614(6) 0.0571(3) Uani 1 1 d . . . . .
Pd11 Pd 0.48907(15) 0.46802(3) 0.79270(10) 0.1068(6) Uani 1 1 d . . . . .
Pd12 Pd 0.0238(2) 0.55303(4) 0.64971(17) 0.1605(13) Uani 1 1 d . . . . .
Cl19 Cl -0.1713(2) 0.38203(10) 0.4948(2) 0.0747(11) Uani 1 1 d . . . . .
Cl20 Cl 0.0557(2) 0.38929(8) 0.46194(17) 0.0615(9) Uani 1 1 d . . . . .
Cl21 Cl 0.5277(6) 0.45410(12) 0.9013(3) 0.137(3) Uani 1 1 d . . . . .
Cl22 Cl 0.4533(8) 0.50826(12) 0.8300(4) 0.165(4) Uani 1 1 d . . . . .
Cl23 Cl 0.0982(7) 0.59187(14) 0.6550(7) 0.209(6) Uani 1 1 d . . . . .
Cl24 Cl 0.0212(8) 0.5494(2) 0.5317(6) 0.193(5) Uani 1 1 d . . . . .
N19 N -0.1026(7) 0.3794(3) 0.6449(6) 0.064(3) Uani 1 1 d D . . . .
H19N H -0.144992 0.364558 0.638271 0.077 Uiso 1 1 calc R U . . .
N20 N 0.0823(7) 0.3831(2) 0.6177(6) 0.058(3) Uani 1 1 d D . . . .
H20N H 0.129176 0.371547 0.596949 0.070 Uiso 1 1 calc R U . . .
N21 N 0.5342(11) 0.4359(3) 0.7538(9) 0.090(5) Uani 1 1 d D . . . .
H21N H 0.596646 0.433488 0.775958 0.108 Uiso 1 1 calc R U . . .
N22 N 0.4644(12) 0.4762(3) 0.6914(9) 0.103(4) Uani 1 1 d D U . . .
H22N H 0.490063 0.493576 0.684083 0.123 Uiso 1 1 calc R U . . .
N23 N 0.0159(14) 0.5512(4) 0.7412(12) 0.157(10) Uani 1 1 d D U . . .
H23N H -0.012166 0.567965 0.752002 0.189 Uiso 1 1 calc R U . . .
N24 N -0.0455(16) 0.5192(4) 0.6495(13) 0.156(10) Uani 1 1 d D . . . .
H24N H -0.094028 0.517897 0.612813 0.188 Uiso 1 1 calc R U . . .
C127 C -0.0350(10) 0.3718(3) 0.6983(8) 0.061(4) Uani 1 1 d . . . . .
C128 C -0.0616(11) 0.3626(4) 0.7606(9) 0.073(4) Uani 1 1 d . . . . .
H128 H -0.125592 0.363152 0.772261 0.088 Uiso 1 1 calc R U . . .
C129 C 0.0033(12) 0.3523(4) 0.8075(8) 0.070(4) Uani 1 1 d . . . . .
H129 H -0.016368 0.344901 0.848687 0.084 Uiso 1 1 calc R U . . .
C130 C 0.0973(10) 0.3534(3) 0.7909(8) 0.064(4) Uani 1 1 d . . . . .
H130 H 0.143072 0.347226 0.821860 0.077 Uiso 1 1 calc R U . . .
C131 C 0.1260(10) 0.3640(3) 0.7265(8) 0.060(4) Uani 1 1 d . . . . .
H131 H 0.190271 0.364706 0.715473 0.072 Uiso 1 1 calc R U . . .
C132 C 0.0586(9) 0.3732(3) 0.6807(7) 0.055(3) Uani 1 1 d . . . . .
C133 C 0.1229(9) 0.4094(3) 0.6189(8) 0.060(4) Uani 1 1 d D . . . .
H13A H 0.077757 0.421091 0.639688 0.072 Uiso 1 1 calc R U . . .
H13B H 0.133596 0.415078 0.571942 0.072 Uiso 1 1 calc R U . . .
C134 C 0.2182(9) 0.4104(3) 0.6602(8) 0.059(4) Uani 1 1 d D . . . .
C135 C 0.2958(10) 0.4027(3) 0.6281(8) 0.069(4) Uani 1 1 d . . . . .
H135 H 0.291736 0.397419 0.582296 0.083 Uiso 1 1 calc R U . . .
C136 C 0.2249(10) 0.4191(3) 0.7268(7) 0.053(3) Uani 1 1 d . . . . .
H136 H 0.170323 0.424586 0.749152 0.063 Uiso 1 1 calc R U . . .
C137 C 0.3827(10) 0.4026(3) 0.6620(8) 0.062(4) Uani 1 1 d . . . . .
H137 H 0.437068 0.396697 0.640129 0.074 Uiso 1 1 calc R U . . .
C138 C 0.3067(10) 0.4197(3) 0.7596(7) 0.055(3) Uani 1 1 d . . . . .
H138 H 0.309690 0.425889 0.804681 0.066 Uiso 1 1 calc R U . . .
C139 C 0.3874(9) 0.4115(3) 0.7290(8) 0.059(4) Uani 1 1 d D . . . .
C140 C 0.4789(10) 0.4118(3) 0.7739(9) 0.072(4) Uani 1 1 d D . . . .
H14C H 0.463228 0.412253 0.822469 0.086 Uiso 1 1 calc R U . . .
H14D H 0.516544 0.396464 0.765248 0.086 Uiso 1 1 calc R U . . .
C141 C 0.5554(13) 0.4395(3) 0.6841(9) 0.083(3) Uani 1 1 d D U . . .
C142 C 0.6114(12) 0.4217(3) 0.6481(10) 0.086(3) Uani 1 1 d D U . . .
H142 H 0.638436 0.407499 0.670194 0.104 Uiso 1 1 calc R U . . .
C143 C 0.6246(12) 0.4260(4) 0.5794(10) 0.088(3) Uani 1 1 d D U . . .
H143 H 0.657827 0.414042 0.553328 0.105 Uiso 1 1 calc R U . . .
C144 C 0.5901(13) 0.4474(4) 0.5492(9) 0.090(4) Uani 1 1 d D U . . .
H144 H 0.604205 0.450311 0.503032 0.108 Uiso 1 1 calc R U . . .
C145 C 0.5350(14) 0.4651(3) 0.5829(10) 0.092(3) Uani 1 1 d D U . . .
H145 H 0.509416 0.479293 0.559981 0.110 Uiso 1 1 calc R U . . .
C146 C 0.5181(13) 0.4607(3) 0.6563(10) 0.086(3) Uani 1 1 d D U . . .
C147 C 0.3559(13) 0.4785(4) 0.6808(10) 0.115(4) Uani 1 1 d D U . . .
H14E H 0.346584 0.477784 0.631142 0.138 Uiso 1 1 calc DR U . . .
H14F H 0.330930 0.462412 0.698394 0.138 Uiso 1 1 calc R U . . .
C148 C 0.2978(12) 0.4952(3) 0.7004(10) 0.120(4) Uani 1 1 d D U . . .
C149 C 0.2966(14) 0.5205(3) 0.6808(10) 0.129(5) Uani 1 1 d D U . . .
H149 H 0.339324 0.526312 0.647920 0.155 Uiso 1 1 calc R U . . .
C150 C 0.2358(15) 0.4886(3) 0.7551(11) 0.123(5) Uani 1 1 d D U . . .
H150 H 0.238438 0.471989 0.773308 0.147 Uiso 1 1 calc R U . . .
C151 C 0.2334(16) 0.5376(3) 0.7089(11) 0.132(5) Uani 1 1 d D U . . .
H151 H 0.232631 0.554546 0.693406 0.158 Uiso 1 1 calc R U . . .
C152 C 0.1745(14) 0.5052(3) 0.7809(10) 0.127(5) Uani 1 1 d D U . . .
H152 H 0.132028 0.500110 0.814705 0.152 Uiso 1 1 calc R U . . .
C153 C 0.1743(13) 0.5306(3) 0.7568(10) 0.134(5) Uani 1 1 d D U . . .
C154 C 0.1010(16) 0.5513(4) 0.7864(13) 0.183(19) Uani 1 1 d D . . . .
H15A H 0.083821 0.546814 0.833248 0.220 Uiso 1 1 calc R U . . .
H15B H 0.129693 0.568305 0.786967 0.220 Uiso 1 1 calc R U . . .
C155 C -0.0505(16) 0.5343(4) 0.7708(14) 0.150(10) Uani 1 1 d D U . . .
C156 C -0.0895(18) 0.5355(4) 0.8325(13) 0.175(11) Uani 1 1 d D U . . .
H156 H -0.065980 0.546969 0.865631 0.210 Uiso 1 1 calc R U . . .
C157 C -0.167(2) 0.5193(5) 0.8477(14) 0.193(13) Uani 1 1 d D U . . .
H157 H -0.193329 0.519266 0.891569 0.231 Uiso 1 1 calc R U . . .
C158 C -0.2031(18) 0.5039(4) 0.7973(16) 0.179(12) Uani 1 1 d D U . . .
H158 H -0.256150 0.493774 0.806343 0.215 Uiso 1 1 calc R U . . .
C159 C -0.1641(19) 0.5030(4) 0.7348(14) 0.165(10) Uani 1 1 d D U . . .
H159 H -0.188953 0.492009 0.701038 0.198 Uiso 1 1 calc R U . . .
C160 C -0.0857(18) 0.5186(4) 0.7205(12) 0.139(8) Uani 1 1 d D U . . .
C161 C 0.0304(18) 0.4989(4) 0.6452(19) 0.149(13) Uani 1 1 d D . . . .
H16B H 0.075978 0.500989 0.682858 0.178 Uiso 1 1 calc R U . . .
H16C H 0.064004 0.500490 0.601988 0.178 Uiso 1 1 calc R U . . .
C162 C -0.0183(16) 0.4715(4) 0.6497(16) 0.102(7) Uani 1 1 d D . . . .
C163 C -0.0665(19) 0.4630(4) 0.5993(14) 0.109(8) Uani 1 1 d . . . . .
H163 H -0.071719 0.472932 0.559349 0.131 Uiso 1 1 calc R U . . .
C164 C -0.0197(15) 0.4598(4) 0.7102(11) 0.088(6) Uani 1 1 d . . . . .
H164 H 0.010074 0.466834 0.749050 0.105 Uiso 1 1 calc R U . . .
C165 C -0.1139(16) 0.4383(4) 0.6021(12) 0.100(7) Uani 1 1 d . . . . .
H165 H -0.145088 0.431185 0.563958 0.119 Uiso 1 1 calc R U . . .
C166 C -0.0688(14) 0.4358(4) 0.7132(12) 0.086(6) Uani 1 1 d . . . . .
H166 H -0.070244 0.426748 0.754643 0.103 Uiso 1 1 calc R U . . .
C167 C -0.1099(12) 0.4269(3) 0.6611(10) 0.079(5) Uani 1 1 d D . . . .
C168 C -0.1640(9) 0.4008(3) 0.6654(9) 0.069(4) Uani 1 1 d D . . . .
H16D H -0.185324 0.398102 0.712263 0.083 Uiso 1 1 calc R U . . .
H16E H -0.219756 0.401366 0.635274 0.083 Uiso 1 1 calc R U . . .
Cl1R Cl 0.5856(7) 0.25258(17) -0.0267(5) 0.100(3) Uiso 0.602(10) 1 d D . P A 1
C1R C 0.727(2) 0.1992(5) 0.0708(12) 0.076(7) Uiso 0.602(10) 1 d D . P A 1
C2R C 0.6620(18) 0.2195(5) 0.0529(13) 0.069(7) Uiso 0.602(10) 1 d D . P A 1
H2R H 0.621846 0.226425 0.085885 0.083 Uiso 0.602(10) 1 calc R U P A 1
C3R C 0.6602(19) 0.2277(5) -0.0086(16) 0.082(8) Uiso 0.602(10) 1 d D . P A 1
C4R C 0.711(2) 0.2169(5) -0.0601(13) 0.079(7) Uiso 0.602(10) 1 d D . P A 1
H4R H 0.702359 0.221993 -0.105772 0.094 Uiso 0.602(10) 1 calc R U P A 1
C5R C 0.776(2) 0.1982(5) -0.0427(14) 0.080(8) Uiso 0.602(10) 1 d D . P A 1
H5R H 0.815715 0.191820 -0.076843 0.096 Uiso 0.602(10) 1 calc R U P A 1
C6R C 0.7848(19) 0.1896(5) 0.0168(15) 0.078(7) Uiso 0.602(10) 1 d D . P A 1
H6R H 0.829239 0.176677 0.026248 0.093 Uiso 0.602(10) 1 calc R U P A 1
C7R C 0.732(2) 0.1908(5) 0.1412(13) 0.088(9) Uiso 0.602(10) 1 d D . P A 1
H7R H 0.679085 0.198613 0.166497 0.106 Uiso 0.602(10) 1 calc R U P A 1
C8R C 0.722(3) 0.1620(5) 0.144(2) 0.102(10) Uiso 0.602(10) 1 d D . P A 1
H8R1 H 0.752151 0.155712 0.185840 0.152 Uiso 0.602(10) 1 calc R U P A 1
H8R2 H 0.751315 0.154427 0.104929 0.152 Uiso 0.602(10) 1 calc R U P A 1
H8R3 H 0.655479 0.157496 0.144669 0.152 Uiso 0.602(10) 1 calc R U P A 1
O1R O 0.8175(15) 0.1978(4) 0.1733(12) 0.093(6) Uiso 0.602(10) 1 d D . P A 1
O4W O 0.432(4) 0.2066(9) -0.115(3) 0.143(16) Uiso 0.398(10) 1 d . . P A 2
O3W O 0.688(3) 0.2454(8) 0.083(2) 0.109(12) Uiso 0.398(10) 1 d . . P A 2
C14Q C 0.642(5) 0.4269(13) 0.1423(19) 0.16(2) Uiso 0.50(3) 1 d D . P B 3
C9R C 0.550(2) 0.4105(7) 0.3179(19) 0.105(14) Uiso 0.50(3) 1 d D . P B 3
C10R C 0.549(2) 0.4168(8) 0.2495(19) 0.130(19) Uiso 0.50(3) 1 d D . P B 3
C11R C 0.635(3) 0.4197(7) 0.2156(16) 0.124(18) Uiso 0.50(3) 1 d D . P B 3
C12R C 0.718(3) 0.4167(8) 0.250(2) 0.14(2) Uiso 0.50(3) 1 d D . P B 3
C13R C 0.719(2) 0.4105(9) 0.320(2) 0.15(2) Uiso 0.50(3) 1 d D . P B 3
C14R C 0.635(3) 0.4075(8) 0.3535(16) 0.101(14) Uiso 0.50(3) 1 d D . P B 3
N5S N 0.559(4) 0.3990(11) 0.277(3) 0.15(2) Uiso 0.50(3) 1 d D . P B 4
C5S C 0.622(5) 0.4051(17) 0.305(3) 0.19(3) Uiso 0.50(3) 1 d D . P B 4
C5T C 0.681(4) 0.4109(10) 0.368(2) 0.114(16) Uiso 0.50(3) 1 d D . P B 4
H5T1 H 0.725558 0.424262 0.357865 0.171 Uiso 0.50(3) 1 calc R U P B 4
H5T2 H 0.713967 0.395661 0.382523 0.171 Uiso 0.50(3) 1 calc R U P B 4
H5T3 H 0.639546 0.416558 0.404313 0.171 Uiso 0.50(3) 1 calc R U P B 4
Cl3R Cl 0.301(2) 0.1561(7) 0.4837(18) 0.288(16) Uiso 0.5 1 d D . P . .
C17R C 0.110(3) 0.1106(9) 0.555(2) 0.25(5) Uiso 0.5 1 d D . P . .
C18R C 0.158(2) 0.1321(7) 0.5352(17) 0.18(3) Uiso 0.5 1 d D . P . .
H18R H 0.132033 0.148431 0.541018 0.219 Uiso 0.5 1 calc R U P . .
C19R C 0.243(2) 0.1291(7) 0.5077(13) 0.23(4) Uiso 0.5 1 d D . P . .
C20R C 0.281(3) 0.1063(7) 0.499(2) 0.22(4) Uiso 0.5 1 d D . P . .
H20R H 0.341470 0.104818 0.479763 0.269 Uiso 0.5 1 calc R U P . .
C21R C 0.234(4) 0.0848(7) 0.519(3) 0.26(5) Uiso 0.5 1 d D . P . .
H21R H 0.260112 0.068448 0.513056 0.315 Uiso 0.5 1 calc R U P . .
C22R C 0.147(4) 0.0878(8) 0.547(2) 0.22(4) Uiso 0.5 1 d D . P . .
H22R H 0.112965 0.073326 0.560732 0.258 Uiso 0.5 1 calc R U P . .
C23R C 0.017(3) 0.1150(11) 0.585(3) 0.19(3) Uiso 0.5 1 d D . P . .
O3R O 0.019(5) 0.1407(13) 0.611(5) 0.32(4) Uiso 0.5 1 d D . P . .
C1G C 0.8555(12) 0.4072(3) -0.0514(8) 0.136(9) Uiso 1 1 d G . . . .
C2G C 0.8545(9) 0.3809(3) -0.0489(7) 0.087(5) Uiso 1 1 d G . . . .
C3G C 0.9114(10) 0.3683(2) -0.0026(7) 0.086(5) Uiso 1 1 d G . . . .
H3G H 0.910666 0.350329 -0.000890 0.103 Uiso 1 1 calc R U . . .
C4G C 0.9692(10) 0.3818(3) 0.0412(7) 0.110(7) Uiso 1 1 d G . . . .
H4G H 1.008055 0.373141 0.072833 0.132 Uiso 1 1 calc R U . . .
C5G C 0.9702(11) 0.4080(3) 0.0387(8) 0.126(8) Uiso 1 1 d G . . . .
H5G H 1.009749 0.417300 0.068600 0.151 Uiso 1 1 calc R U . . .
C6G C 0.9134(14) 0.4207(2) -0.0076(10) 0.140(10) Uiso 1 1 d G . . . .
H6G H 0.914055 0.438648 -0.009355 0.168 Uiso 1 1 calc R U . . .
C7G C 0.800(2) 0.4197(6) -0.1068(17) 0.135(9) Uiso 1 1 d . . . . .
C8G C 0.807(2) 0.4488(6) -0.1007(17) 0.147(10) Uiso 1 1 d . . . . .
H8G1 H 0.784735 0.456600 -0.142882 0.220 Uiso 1 1 calc R U . . .
H8G2 H 0.872328 0.453519 -0.092493 0.220 Uiso 1 1 calc R U . . .
H8G3 H 0.768990 0.454616 -0.063046 0.220 Uiso 1 1 calc R U . . .
O1G O 0.7439(16) 0.4111(4) -0.1447(12) 0.152(7) Uiso 1 1 d . . . . .
O2G O 0.7974(13) 0.3680(3) -0.0906(9) 0.124(5) Uiso 1 1 d . . . . .
O1W O 0.696(2) 0.0887(6) 0.4115(17) 0.218(12) Uiso 1 1 d . . . . .
O2W O -0.206(2) 0.5141(7) 0.5467(19) 0.248(14) Uiso 1 1 d . . . . .
N1S N 0.1485(9) 0.2520(3) 0.1556(6) 0.068(3) Uani 1 1 d . . . . .
C1S C 0.1261(10) 0.2617(3) 0.2056(7) 0.058(3) Uani 1 1 d . . . . .
C1T C 0.0932(9) 0.2747(4) 0.2675(8) 0.070(4) Uani 1 1 d . . . . .
H1T1 H 0.146196 0.282690 0.290738 0.106 Uiso 1 1 calc R U . . .
H1T2 H 0.064526 0.262291 0.297640 0.106 Uiso 1 1 calc R U . . .
H1T3 H 0.047087 0.287549 0.254837 0.106 Uiso 1 1 calc R U . . .
N2S N 0.3426(10) 0.3614(3) 0.8247(7) 0.071(4) Uani 1 1 d . . . . .
C2S C 0.3706(9) 0.3518(3) 0.7766(7) 0.055(3) Uani 1 1 d . . . . .
C2T C 0.4011(10) 0.3398(3) 0.7131(7) 0.061(4) Uani 1 1 d . . . . .
H2T1 H 0.350510 0.340665 0.679379 0.092 Uiso 1 1 calc R U . . .
H2T2 H 0.417121 0.322110 0.721885 0.092 Uiso 1 1 calc R U . . .
H2T3 H 0.455923 0.348709 0.696087 0.092 Uiso 1 1 calc R U . . .
N3S N 0.455(3) 0.1903(8) 0.134(2) 0.232(17) Uiso 1 1 d . . . . .
C3S C 0.393(2) 0.2006(7) 0.1006(18) 0.142(10) Uiso 1 1 d . . . . .
C3T C 0.344(2) 0.2159(7) 0.0637(18) 0.154(12) Uiso 1 1 d . . . . .
H3T1 H 0.288276 0.220791 0.088167 0.231 Uiso 1 1 calc R U . . .
H3T2 H 0.326338 0.207413 0.021389 0.231 Uiso 1 1 calc R U . . .
H3T3 H 0.381309 0.230926 0.053528 0.231 Uiso 1 1 calc R U . . .
N4S N 0.076(5) 0.4353(10) 0.860(4) 0.43(4) Uiso 1 1 d D . . . .
C4S C 0.095(4) 0.4156(9) 0.878(4) 0.30(3) Uiso 1 1 d D . . . .
C4T C 0.1578(18) 0.3965(5) 0.9135(13) 0.112(7) Uiso 1 1 d D . . . .
H4T1 H 0.183100 0.403914 0.955319 0.168 Uiso 1 1 calc R U . . .
H4T2 H 0.209148 0.391899 0.883718 0.168 Uiso 1 1 calc R U . . .
H4T3 H 0.121470 0.381409 0.924336 0.168 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.036(9) . ?
Pd1 N2 2.040(12) . ?
Pd1 Cl2 2.314(3) . ?
Pd1 Cl1 2.322(4) . ?
Pd2 N3 2.047(10) . ?
Pd2 N4 2.089(12) . ?
Pd2 Cl4 2.303(3) . ?
Pd2 Cl3 2.307(4) . ?
Pd3 N5 2.022(12) . ?
Pd3 N6 2.070(13) . ?
Pd3 Cl6 2.295(4) . ?
Pd3 Cl5 2.307(4) . ?
N1 C1 1.497(18) . ?
N1 C42 1.519(14) . ?
N1 H1N 1.0000 . ?
N2 C6 1.475(16) . ?
N2 C7 1.500(16) . ?
N2 H2N 1.0000 . ?
N3 C15 1.498(19) . ?
N3 C14 1.538(16) . ?
N3 H3N 1.0000 . ?
N4 C20 1.447(19) . ?
N4 C21 1.472(17) . ?
N4 H4N 1.0000 . ?
N5 C28 1.548(15) . ?
N5 C29 1.559(17) . ?
N5 H5N 1.0000 . ?
N6 C34 1.421(19) . ?
N6 C35 1.504(14) . ?
N6 H6N 1.0000 . ?
C1 C2 1.360(18) . ?
C1 C6 1.383(18) . ?
C2 C3 1.40(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.34(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.41(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.39(2) . ?
C5 H5A 0.9500 . ?
C7 C8 1.531(17) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.364(18) . ?
C8 C9 1.39(2) . ?
C9 C11 1.353(19) . ?
C9 H9A 0.9500 . ?
C10 C12 1.373(18) . ?
C10 H10A 0.9500 . ?
C11 C13 1.416(19) . ?
C11 H11A 0.9500 . ?
C12 C13 1.41(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.484(17) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.32(2) . ?
C15 C16 1.41(2) . ?
C16 C17 1.41(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.24(3) . ?
C17 H17A 0.9500 . ?
C18 C19 1.39(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.37(2) . ?
C19 H19A 0.9500 . ?
C21 C22 1.550(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.37(2) . ?
C22 C24 1.40(2) . ?
C23 C25 1.39(2) . ?
C23 H23A 0.9500 . ?
C24 C26 1.36(2) . ?
C24 H24A 0.9500 . ?
C25 C27 1.387(19) . ?
C25 H25 0.9500 . ?
C26 C27 1.45(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.491(18) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.318(17) . ?
C29 C30 1.412(19) . ?
C30 C31 1.44(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.38(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.37(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.39(2) . ?
C33 H33 0.9500 . ?
C35 C36 1.506(16) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.34(2) . ?
C36 C38 1.44(2) . ?
C37 C39 1.413(17) . ?
C37 H37 0.9500 . ?
C38 C40 1.400(18) . ?
C38 H38 0.9500 . ?
C39 C41 1.37(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.38(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.542(15) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N8 2.045(9) . ?
Pd4 N7 2.062(10) . ?
Pd4 Cl8 2.294(3) . ?
Pd4 Cl7 2.304(4) . ?
Pd5 N9 2.040(12) . ?
Pd5 N10 2.058(13) . ?
Pd5 Cl10 2.287(6) . ?
Pd5 Cl9 2.301(6) . ?
Pd6 N11 2.040(16) . ?
Pd6 N12 2.062(16) . ?
Pd6 Cl11 2.309(8) . ?
Pd6 Cl12 2.329(11) . ?
N7 C43 1.486(15) . ?
N7 C84 1.542(15) . ?
N7 H7N 1.0000 . ?
N8 C48 1.488(15) . ?
N8 C49 1.529(15) . ?
N8 H8N 1.0000 . ?
N9 C57 1.478(17) . ?
N9 C56 1.519(16) . ?
N9 H9N 1.0000 . ?
N10 C62 1.426(15) . ?
N10 C63 1.497(18) . ?
N10 H10N 1.0000 . ?
N11 C71 1.461(19) . ?
N11 C70 1.55(2) . ?
N11 H11N 1.0000 . ?
N12 C76 1.485(19) . ?
N12 C77 1.552(18) . ?
N12 H12N 1.0000 . ?
C43 C48 1.390(18) . ?
C43 C44 1.41(2) . ?
C44 C45 1.33(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.44(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.38(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.38(2) . ?
C47 H47 0.9500 . ?
C49 C50 1.514(16) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C52 1.360(19) . ?
C50 C51 1.372(18) . ?
C51 C53 1.45(2) . ?
C51 H51 0.9500 . ?
C52 C54 1.41(2) . ?
C52 H52 0.9500 . ?
C53 C55 1.46(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.38(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.501(16) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.35(2) . ?
C57 C58 1.37(2) . ?
C58 C59 1.36(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.27(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.52(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(3) . ?
C61 H61 0.9500 . ?
C63 C64 1.54(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.31(3) . ?
C64 C66 1.49(3) . ?
C65 C67 1.51(4) . ?
C65 H65 0.9500 . ?
C66 C68 1.29(3) . ?
C66 H66 0.9500 . ?
C67 C69 1.42(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.48(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.51(2) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.375(19) . ?
C71 C76 1.385(19) . ?
C72 C73 1.377(19) . ?
C72 H72 0.9500 . ?
C73 C74 1.38(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.387(19) . ?
C74 H74 0.9500 . ?
C75 C76 1.377(19) . ?
C75 H75 0.9500 . ?
C77 C78 1.47(2) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.33(3) . ?
C78 C80 1.43(3) . ?
C79 C81 1.40(3) . ?
C79 H79 0.9500 . ?
C80 C82 1.40(3) . ?
C80 H80 0.9500 . ?
C81 C83 1.34(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.47(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.500(18) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
Pd7 N13 2.028(9) . ?
Pd7 N14 2.040(12) . ?
Pd7 Cl14 2.303(3) . ?
Pd7 Cl13 2.308(4) . ?
Pd8 N16 2.023(12) . ?
Pd8 N15 2.055(10) . ?
Pd8 Cl15 2.301(4) . ?
Pd8 Cl16 2.312(3) . ?
Pd9 N18 1.998(15) . ?
Pd9 N17 2.073(13) . ?
Pd9 Cl18 2.299(4) . ?
Pd9 Cl17 2.318(4) . ?
N13 C85 1.494(18) . ?
N13 C126 1.519(13) . ?
N13 H13N 1.0000 . ?
N14 C90 1.460(15) . ?
N14 C91 1.523(16) . ?
N14 H14N 1.0000 . ?
N15 C99 1.438(19) . ?
N15 C98 1.514(15) . ?
N15 H15N 1.0000 . ?
N16 C104 1.522(18) . ?
N16 C105 1.543(17) . ?
N16 H16N 1.0000 . ?
N17 C112 1.512(15) . ?
N17 C113 1.57(2) . ?
N17 H17N 1.0000 . ?
N18 C118 1.48(2) . ?
N18 C119 1.502(17) . ?
N18 H18N 1.0000 . ?
C85 C90 1.365(18) . ?
C85 C86 1.380(17) . ?
C86 C87 1.41(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.42(2) . ?
C87 H87 0.9500 . ?
C88 C89 1.39(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.44(2) . ?
C89 H89 0.9500 . ?
C91 C92 1.481(17) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.40(2) . ?
C92 C94 1.419(17) . ?
C93 C95 1.425(19) . ?
C93 H93 0.9500 . ?
C94 C96 1.418(17) . ?
C94 H94 0.9500 . ?
C95 C97 1.393(18) . ?
C95 H95 0.9500 . ?
C96 C97 1.379(19) . ?
C96 H96 0.9500 . ?
C97 C98 1.530(15) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C104 1.363(19) . ?
C99 C100 1.39(2) . ?
C100 C101 1.41(2) . ?
C100 H100 0.9500 . ?
C101 C102 1.36(2) . ?
C101 H101 0.9500 . ?
C102 C103 1.47(2) . ?
C102 H102 0.9500 . ?
C103 C104 1.41(2) . ?
C103 H103 0.9500 . ?
C105 C106 1.49(2) . ?
C105 H10B 0.9900 . ?
C105 H10C 0.9900 . ?
C106 C107 1.42(2) . ?
C106 C108 1.42(2) . ?
C107 C109 1.396(19) . ?
C107 H107 0.9500 . ?
C108 C110 1.40(2) . ?
C108 H108 0.9500 . ?
C109 C111 1.37(2) . ?
C109 H109 0.9500 . ?
C110 C111 1.40(2) . ?
C110 H110 0.9500 . ?
C111 C112 1.505(19) . ?
C112 H11B 0.9900 . ?
C112 H11C 0.9900 . ?
C113 C118 1.296(18) . ?
C113 C114 1.35(2) . ?
C114 C115 1.42(2) . ?
C114 H114 0.9500 . ?
C115 C116 1.44(2) . ?
C115 H115 0.9500 . ?
C116 C117 1.31(3) . ?
C116 H116 0.9500 . ?
C117 C118 1.42(2) . ?
C117 H117 0.9500 . ?
C119 C120 1.544(16) . ?
C119 H11D 0.9900 . ?
C119 H11E 0.9900 . ?
C120 C122 1.37(2) . ?
C120 C121 1.40(2) . ?
C121 C123 1.411(17) . ?
C121 H121 0.9500 . ?
C122 C124 1.406(17) . ?
C122 H122 0.9500 . ?
C123 C125 1.40(2) . ?
C123 H123 0.9500 . ?
C124 C125 1.41(2) . ?
C124 H124 0.9500 . ?
C125 C126 1.499(15) . ?
C126 H12B 0.9900 . ?
C126 H12C 0.9900 . ?
Pd10 N19 2.037(12) . ?
Pd10 N20 2.049(11) . ?
Pd10 Cl20 2.296(3) . ?
Pd10 Cl19 2.302(4) . ?
Pd11 N21 1.977(15) . ?
Pd11 N22 2.073(18) . ?
Pd11 Cl22 2.315(6) . ?
Pd11 Cl21 2.329(8) . ?
Pd12 N23 1.82(2) . ?
Pd12 N24 2.05(2) . ?
Pd12 Cl23 2.319(10) . ?
Pd12 Cl24 2.340(12) . ?
N19 C127 1.48(2) . ?
N19 C168 1.495(15) . ?
N19 H19N 1.0000 . ?
N20 C132 1.398(18) . ?
N20 C133 1.509(16) . ?
N20 H20N 1.0000 . ?
N21 C141 1.43(2) . ?
N21 C140 1.559(17) . ?
N21 H21N 1.0000 . ?
N22 C146 1.33(2) . ?
N22 C147 1.572(19) . ?
N22 H22N 1.0000 . ?
N23 C155 1.44(3) . ?
N23 C154 1.50(2) . ?
N23 H23N 1.0000 . ?
N24 C160 1.52(3) . ?
N24 C161 1.53(2) . ?
N24 H24N 1.0000 . ?
C127 C128 1.38(2) . ?
C127 C132 1.392(19) . ?
C128 C129 1.41(2) . ?
C128 H128 0.9500 . ?
C129 C130 1.39(2) . ?
C129 H129 0.9500 . ?
C130 C131 1.46(2) . ?
C130 H130 0.9500 . ?
C131 C132 1.40(2) . ?
C131 H131 0.9500 . ?
C133 C134 1.583(16) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C134 C135 1.350(19) . ?
C134 C136 1.40(2) . ?
C135 C137 1.41(2) . ?
C135 H135 0.9500 . ?
C136 C138 1.33(2) . ?
C136 H136 0.9500 . ?
C137 C139 1.40(2) . ?
C137 H137 0.9500 . ?
C138 C139 1.382(19) . ?
C138 H138 0.9500 . ?
C139 C140 1.574(17) . ?
C140 H14C 0.9900 . ?
C140 H14D 0.9900 . ?
C141 C146 1.36(3) . ?
C141 C142 1.43(3) . ?
C142 C143 1.39(3) . ?
C142 H142 0.9500 . ?
C143 C144 1.37(3) . ?
C143 H143 0.9500 . ?
C144 C145 1.40(3) . ?
C144 H144 0.9500 . ?
C145 C146 1.49(3) . ?
C145 H145 0.9500 . ?
C147 C148 1.28(2) . ?
C147 H14E 0.9900 . ?
C147 H14F 0.9900 . ?
C148 C149 1.40(3) . ?
C148 C150 1.45(2) . ?
C149 C151 1.40(3) . ?
C149 H149 0.9500 . ?
C150 C152 1.35(3) . ?
C150 H150 0.9500 . ?
C151 C153 1.33(3) . ?
C151 H151 0.9500 . ?
C152 C153 1.43(3) . ?
C152 H152 0.9500 . ?
C153 C154 1.632(19) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C155 C156 1.35(3) . ?
C155 C160 1.39(3) . ?
C156 C157 1.44(3) . ?
C156 H156 0.9500 . ?
C157 C158 1.38(3) . ?
C157 H157 0.9500 . ?
C158 C159 1.36(3) . ?
C158 H158 0.9500 . ?
C159 C160 1.43(3) . ?
C159 H159 0.9500 . ?
C161 C162 1.61(2) . ?
C161 H16B 0.9900 . ?
C161 H16C 0.9900 . ?
C162 C163 1.28(3) . ?
C162 C164 1.35(3) . ?
C163 C165 1.48(3) . ?
C163 H163 0.9500 . ?
C164 C166 1.45(3) . ?
C164 H164 0.9500 . ?
C165 C167 1.31(3) . ?
C165 H165 0.9500 . ?
C166 C167 1.27(3) . ?
C166 H166 0.9500 . ?
C167 C168 1.586(19) . ?
C168 H16D 0.9900 . ?
C168 H16E 0.9900 . ?
Cl1R C3R 1.73(2) . ?
C1R C6R 1.45(4) . ?
C1R C2R 1.46(4) . ?
C1R C7R 1.46(2) . ?
C2R C3R 1.29(4) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.39(4) . ?
C4R C5R 1.40(4) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.27(4) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
C7R O1R 1.43(2) . ?
C7R C8R 1.53(2) . ?
C7R H7R 1.0000 . ?
C8R H8R1 0.9800 . ?
C8R H8R2 0.9800 . ?
C8R H8R3 0.9800 . ?
C14Q C11R 1.504(14) . ?
C9R C10R 1.39(2) . ?
C9R C14R 1.40(2) . ?
C10R C11R 1.41(2) . ?
C11R C12R 1.37(2) . ?
C12R C13R 1.43(2) . ?
C13R C14R 1.38(2) . ?
N5S C5S 1.11(3) . ?
C5S C5T 1.52(3) . ?
C5T H5T1 0.9800 . ?
C5T H5T2 0.9800 . ?
C5T H5T3 0.9800 . ?
Cl3R C19R 1.72(3) . ?
C17R C22R 1.33(2) . ?
C17R C18R 1.39(2) . ?
C17R C23R 1.49(3) . ?
C18R C19R 1.35(2) . ?
C18R H18R 0.9500 . ?
C19R C20R 1.34(2) . ?
C20R C21R 1.39(2) . ?
C20R H20R 0.9500 . ?
C21R C22R 1.38(2) . ?
C21R H21R 0.9500 . ?
C22R H22R 0.9500 . ?
C23R O3R 1.46(3) . ?
C1G C2G 1.3900 . ?
C1G C6G 1.3900 . ?
C1G C7G 1.50(3) . ?
C2G O2G 1.34(2) . ?
C2G C3G 1.3900 . ?
C3G C4G 1.3900 . ?
C3G H3G 0.9500 . ?
C4G C5G 1.3900 . ?
C4G H4G 0.9500 . ?
C5G C6G 1.3900 . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C7G O1G 1.18(3) . ?
C7G C8G 1.55(4) . ?
C8G H8G1 0.9800 . ?
C8G H8G2 0.9800 . ?
C8G H8G3 0.9800 . ?
N1S C1S 1.164(19) . ?
C1S C1T 1.48(2) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
N2S C2S 1.157(19) . ?
C2S C2T 1.48(2) . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
N3S C3S 1.23(5) . ?
C3S C3T 1.29(4) . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 0.9800 . ?
N4S C4S 1.14(3) . ?
C4S C4T 1.52(3) . ?
C4T H4T1 0.9800 . ?
C4T H4T2 0.9800 . ?
C4T H4T3 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
N1 Pd1 N2 85.6(4) . . ?
N1 Pd1 Cl2 172.5(3) . . ?
N2 Pd1 Cl2 90.6(3) . . ?
N1 Pd1 Cl1 90.3(4) . . ?
N2 Pd1 Cl1 175.3(3) . . ?
Cl2 Pd1 Cl1 93.67(12) . . ?
N3 Pd2 N4 85.2(5) . . ?
N3 Pd2 Cl4 176.5(4) . . ?
N4 Pd2 Cl4 91.9(3) . . ?
N3 Pd2 Cl3 90.0(3) . . ?
N4 Pd2 Cl3 175.2(3) . . ?
Cl4 Pd2 Cl3 92.92(14) . . ?
N5 Pd3 N6 83.7(4) . . ?
N5 Pd3 Cl6 175.8(3) . . ?
N6 Pd3 Cl6 93.0(3) . . ?
N5 Pd3 Cl5 89.9(3) . . ?
N6 Pd3 Cl5 172.0(3) . . ?
Cl6 Pd3 Cl5 93.70(18) . . ?
C1 N1 C42 114.5(10) . . ?
C1 N1 Pd1 107.2(7) . . ?
C42 N1 Pd1 110.4(7) . . ?
C1 N1 H1N 108.2 . . ?
C42 N1 H1N 108.2 . . ?
Pd1 N1 H1N 108.2 . . ?
C6 N2 C7 113.4(10) . . ?
C6 N2 Pd1 108.1(7) . . ?
C7 N2 Pd1 116.0(8) . . ?
C6 N2 H2N 106.2 . . ?
C7 N2 H2N 106.2 . . ?
Pd1 N2 H2N 106.2 . . ?
C15 N3 C14 112.5(11) . . ?
C15 N3 Pd2 105.6(8) . . ?
C14 N3 Pd2 110.8(8) . . ?
C15 N3 H3N 109.3 . . ?
C14 N3 H3N 109.3 . . ?
Pd2 N3 H3N 109.3 . . ?
C20 N4 C21 115.6(11) . . ?
C20 N4 Pd2 106.5(9) . . ?
C21 N4 Pd2 114.8(10) . . ?
C20 N4 H4N 106.4 . . ?
C21 N4 H4N 106.4 . . ?
Pd2 N4 H4N 106.4 . . ?
C28 N5 C29 114.0(10) . . ?
C28 N5 Pd3 109.5(8) . . ?
C29 N5 Pd3 108.1(7) . . ?
C28 N5 H5N 108.4 . . ?
C29 N5 H5N 108.4 . . ?
Pd3 N5 H5N 108.4 . . ?
C34 N6 C35 115.1(12) . . ?
C34 N6 Pd3 108.8(8) . . ?
C35 N6 Pd3 117.2(9) . . ?
C34 N6 H6N 104.8 . . ?
C35 N6 H6N 104.8 . . ?
Pd3 N6 H6N 104.8 . . ?
C2 C1 C6 120.8(13) . . ?
C2 C1 N1 121.8(12) . . ?
C6 C1 N1 117.3(10) . . ?
C1 C2 C3 119.1(14) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C4 C3 C2 120.3(14) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 121.4(16) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
C6 C5 C4 117.4(14) . . ?
C6 C5 H5A 121.3 . . ?
C4 C5 H5A 121.3 . . ?
C1 C6 C5 120.6(12) . . ?
C1 C6 N2 118.2(12) . . ?
C5 C6 N2 121.1(11) . . ?
N2 C7 C8 112.4(10) . . ?
N2 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C10 C8 C9 116.6(12) . . ?
C10 C8 C7 123.4(12) . . ?
C9 C8 C7 120.0(11) . . ?
C11 C9 C8 121.6(12) . . ?
C11 C9 H9A 119.2 . . ?
C8 C9 H9A 119.2 . . ?
C8 C10 C12 124.8(13) . . ?
C8 C10 H10A 117.6 . . ?
C12 C10 H10A 117.6 . . ?
C9 C11 C13 121.9(13) . . ?
C9 C11 H11A 119.1 . . ?
C13 C11 H11A 119.1 . . ?
C10 C12 C13 118.4(12) . . ?
C10 C12 H12A 120.8 . . ?
C13 C12 H12A 120.8 . . ?
C12 C13 C11 116.8(12) . . ?
C12 C13 C14 120.6(12) . . ?
C11 C13 C14 122.5(13) . . ?
C13 C14 N3 112.2(11) . . ?
C13 C14 H14A 109.2 . . ?
N3 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
N3 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C20 C15 C16 119.3(15) . . ?
C20 C15 N3 120.0(14) . . ?
C16 C15 N3 120.7(13) . . ?
C17 C16 C15 117.4(16) . . ?
C17 C16 H16A 121.3 . . ?
C15 C16 H16A 121.3 . . ?
C18 C17 C16 122.6(17) . . ?
C18 C17 H17A 118.7 . . ?
C16 C17 H17A 118.7 . . ?
C17 C18 C19 120.5(16) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.2(16) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C15 C20 C19 120.1(16) . . ?
C15 C20 N4 120.3(16) . . ?
C19 C20 N4 119.5(14) . . ?
N4 C21 C22 112.1(11) . . ?
N4 C21 H21A 109.2 . . ?
C22 C21 H21A 109.2 . . ?
N4 C21 H21B 109.2 . . ?
C22 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C23 C22 C24 120.1(13) . . ?
C23 C22 C21 119.6(13) . . ?
C24 C22 C21 120.3(14) . . ?
C22 C23 C25 120.8(14) . . ?
C22 C23 H23A 119.6 . . ?
C25 C23 H23A 119.6 . . ?
C26 C24 C22 121.2(15) . . ?
C26 C24 H24A 119.4 . . ?
C22 C24 H24A 119.4 . . ?
C27 C25 C23 119.7(15) . . ?
C27 C25 H25 120.2 . . ?
C23 C25 H25 120.2 . . ?
C24 C26 C27 118.4(13) . . ?
C24 C26 H26 120.8 . . ?
C27 C26 H26 120.8 . . ?
C25 C27 C26 119.8(13) . . ?
C25 C27 C28 119.5(14) . . ?
C26 C27 C28 120.8(12) . . ?
C27 C28 N5 115.1(10) . . ?
C27 C28 H28A 108.5 . . ?
N5 C28 H28A 108.5 . . ?
C27 C28 H28B 108.5 . . ?
N5 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C34 C29 C30 129.0(13) . . ?
C34 C29 N5 114.6(11) . . ?
C30 C29 N5 116.5(10) . . ?
C29 C30 C31 112.6(13) . . ?
C29 C30 H30 123.7 . . ?
C31 C30 H30 123.7 . . ?
C32 C31 C30 119.4(16) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C33 C32 C31 122.3(15) . . ?
C33 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C32 C33 C34 120.6(13) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 116.1(14) . . ?
C29 C34 N6 121.9(13) . . ?
C33 C34 N6 121.8(12) . . ?
N6 C35 C36 110.0(9) . . ?
N6 C35 H35A 109.7 . . ?
C36 C35 H35A 109.7 . . ?
N6 C35 H35B 109.7 . . ?
C36 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 C38 119.7(11) . . ?
C37 C36 C35 121.5(13) . . ?
C38 C36 C35 118.7(13) . . ?
C36 C37 C39 120.4(13) . . ?
C36 C37 H37 119.8 . . ?
C39 C37 H37 119.8 . . ?
C40 C38 C36 118.7(13) . . ?
C40 C38 H38 120.6 . . ?
C36 C38 H38 120.6 . . ?
C41 C39 C37 121.0(13) . . ?
C41 C39 H39 119.5 . . ?
C37 C39 H39 119.5 . . ?
C41 C40 C38 120.4(13) . . ?
C41 C40 H40 119.8 . . ?
C38 C40 H40 119.8 . . ?
C39 C41 C40 119.5(11) . . ?
C39 C41 C42 117.3(11) . . ?
C40 C41 C42 123.1(12) . . ?
N1 C42 C41 110.4(9) . . ?
N1 C42 H42A 109.6 . . ?
C41 C42 H42A 109.6 . . ?
N1 C42 H42B 109.6 . . ?
C41 C42 H42B 109.6 . . ?
H42A C42 H42B 108.1 . . ?
N8 Pd4 N7 85.2(4) . . ?
N8 Pd4 Cl8 89.5(3) . . ?
N7 Pd4 Cl8 174.7(3) . . ?
N8 Pd4 Cl7 176.3(3) . . ?
N7 Pd4 Cl7 91.3(3) . . ?
Cl8 Pd4 Cl7 94.00(13) . . ?
N9 Pd5 N10 86.1(5) . . ?
N9 Pd5 Cl10 170.4(4) . . ?
N10 Pd5 Cl10 92.3(4) . . ?
N9 Pd5 Cl9 90.3(4) . . ?
N10 Pd5 Cl9 176.0(4) . . ?
Cl10 Pd5 Cl9 91.6(2) . . ?
N11 Pd6 N12 84.9(7) . . ?
N11 Pd6 Cl11 90.9(5) . . ?
N12 Pd6 Cl11 175.4(5) . . ?
N11 Pd6 Cl12 174.7(6) . . ?
N12 Pd6 Cl12 89.9(7) . . ?
Cl11 Pd6 Cl12 94.3(4) . . ?
C43 N7 C84 114.1(11) . . ?
C43 N7 Pd4 107.7(7) . . ?
C84 N7 Pd4 114.3(9) . . ?
C43 N7 H7N 106.8 . . ?
C84 N7 H7N 106.8 . . ?
Pd4 N7 H7N 106.8 . . ?
C48 N8 C49 114.2(11) . . ?
C48 N8 Pd4 107.7(7) . . ?
C49 N8 Pd4 109.8(7) . . ?
C48 N8 H8N 108.3 . . ?
C49 N8 H8N 108.3 . . ?
Pd4 N8 H8N 108.3 . . ?
C57 N9 C56 112.9(13) . . ?
C57 N9 Pd5 107.1(10) . . ?
C56 N9 Pd5 118.1(10) . . ?
C57 N9 H9N 106.0 . . ?
C56 N9 H9N 106.0 . . ?
Pd5 N9 H9N 106.0 . . ?
C62 N10 C63 108.2(12) . . ?
C62 N10 Pd5 102.5(11) . . ?
C63 N10 Pd5 118.0(11) . . ?
C62 N10 H10N 109.3 . . ?
C63 N10 H10N 109.3 . . ?
Pd5 N10 H10N 109.3 . . ?
C71 N11 C70 114.0(19) . . ?
C71 N11 Pd6 108.5(15) . . ?
C70 N11 Pd6 121.1(16) . . ?
C71 N11 H11N 103.7 . . ?
C70 N11 H11N 103.7 . . ?
Pd6 N11 H11N 103.7 . . ?
C76 N12 C77 117.8(18) . . ?
C76 N12 Pd6 104.8(13) . . ?
C77 N12 Pd6 108.9(12) . . ?
C76 N12 H12N 108.3 . . ?
C77 N12 H12N 108.3 . . ?
Pd6 N12 H12N 108.3 . . ?
C48 C43 C44 121.0(12) . . ?
C48 C43 N7 117.8(12) . . ?
C44 C43 N7 121.0(11) . . ?
C45 C44 C43 117.7(13) . . ?
C45 C44 H44 121.1 . . ?
C43 C44 H44 121.1 . . ?
C44 C45 C46 124.2(16) . . ?
C44 C45 H45 117.9 . . ?
C46 C45 H45 117.9 . . ?
C47 C46 C45 115.3(16) . . ?
C47 C46 H46 122.4 . . ?
C45 C46 H46 122.4 . . ?
C48 C47 C46 123.0(13) . . ?
C48 C47 H47 118.5 . . ?
C46 C47 H47 118.5 . . ?
C47 C48 C43 118.7(12) . . ?
C47 C48 N8 123.4(12) . . ?
C43 C48 N8 117.9(12) . . ?
C50 C49 N8 112.7(11) . . ?
C50 C49 H49A 109.1 . . ?
N8 C49 H49A 109.1 . . ?
C50 C49 H49B 109.1 . . ?
N8 C49 H49B 109.1 . . ?
H49A C49 H49B 107.8 . . ?
C52 C50 C51 121.1(13) . . ?
C52 C50 C49 121.8(12) . . ?
C51 C50 C49 117.1(12) . . ?
C50 C51 C53 120.0(14) . . ?
C50 C51 H51 120.0 . . ?
C53 C51 H51 120.0 . . ?
C50 C52 C54 121.4(13) . . ?
C50 C52 H52 119.3 . . ?
C54 C52 H52 119.3 . . ?
C51 C53 C55 118.1(13) . . ?
C51 C53 H53 120.9 . . ?
C55 C53 H53 120.9 . . ?
C55 C54 C52 120.9(14) . . ?
C55 C54 H54 119.5 . . ?
C52 C54 H54 119.5 . . ?
C54 C55 C53 118.3(13) . . ?
C54 C55 C56 123.8(14) . . ?
C53 C55 C56 117.8(13) . . ?
C55 C56 N9 111.5(12) . . ?
C55 C56 H56A 109.3 . . ?
N9 C56 H56A 109.3 . . ?
C55 C56 H56B 109.3 . . ?
N9 C56 H56B 109.3 . . ?
H56A C56 H56B 108.0 . . ?
C62 C57 C58 124.1(17) . . ?
C62 C57 N9 114.0(15) . . ?
C58 C57 N9 121.8(19) . . ?
C59 C58 C57 123(2) . . ?
C59 C58 H58 118.4 . . ?
C57 C58 H58 118.4 . . ?
C60 C59 C58 120(2) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C61 120(2) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 H60 120.1 . . ?
C62 C61 C60 119.6(19) . . ?
C62 C61 H61 120.2 . . ?
C60 C61 H61 120.2 . . ?
C57 C62 N10 126.0(16) . . ?
C57 C62 C61 113.0(14) . . ?
N10 C62 C61 120.9(14) . . ?
N10 C63 C64 107.7(16) . . ?
N10 C63 H63A 110.2 . . ?
C64 C63 H63A 110.2 . . ?
N10 C63 H63B 110.2 . . ?
C64 C63 H63B 110.2 . . ?
H63A C63 H63B 108.5 . . ?
C65 C64 C66 120(2) . . ?
C65 C64 C63 120(2) . . ?
C66 C64 C63 120.2(18) . . ?
C64 C65 C67 117(2) . . ?
C64 C65 H65 121.6 . . ?
C67 C65 H65 121.6 . . ?
C68 C66 C64 122(2) . . ?
C68 C66 H66 119.2 . . ?
C64 C66 H66 119.2 . . ?
C69 C67 C65 124(2) . . ?
C69 C67 H67 118.1 . . ?
C65 C67 H67 118.1 . . ?
C66 C68 C69 123(3) . . ?
C66 C68 H68 118.3 . . ?
C69 C68 H68 118.3 . . ?
C67 C69 C68 113(2) . . ?
C67 C69 C70 123(2) . . ?
C68 C69 C70 124(3) . . ?
C69 C70 N11 112(3) . . ?
C69 C70 H70A 109.3 . . ?
N11 C70 H70A 109.3 . . ?
C69 C70 H70B 109.3 . . ?
N11 C70 H70B 109.3 . . ?
H70A C70 H70B 108.0 . . ?
C72 C71 C76 119.6(10) . . ?
C72 C71 N11 124(2) . . ?
C76 C71 N11 116(2) . . ?
C71 C72 C73 120.2(11) . . ?
C71 C72 H72 119.9 . . ?
C73 C72 H72 119.9 . . ?
C72 C73 C74 120.3(10) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C73 C74 C75 119.6(11) . . ?
C73 C74 H74 120.2 . . ?
C75 C74 H74 120.2 . . ?
C76 C75 C74 119.6(11) . . ?
C76 C75 H75 120.2 . . ?
C74 C75 H75 120.2 . . ?
C75 C76 C71 120.4(10) . . ?
C75 C76 N12 120.1(19) . . ?
C71 C76 N12 119.4(19) . . ?
C78 C77 N12 110.5(16) . . ?
C78 C77 H77A 109.6 . . ?
N12 C77 H77A 109.6 . . ?
C78 C77 H77B 109.6 . . ?
N12 C77 H77B 109.6 . . ?
H77A C77 H77B 108.1 . . ?
C79 C78 C80 121(2) . . ?
C79 C78 C77 118(2) . . ?
C80 C78 C77 121(2) . . ?
C78 C79 C81 121(2) . . ?
C78 C79 H79 119.4 . . ?
C81 C79 H79 119.4 . . ?
C82 C80 C78 118(2) . . ?
C82 C80 H80 121.1 . . ?
C78 C80 H80 121.1 . . ?
C83 C81 C79 123(2) . . ?
C83 C81 H81 118.6 . . ?
C79 C81 H81 118.6 . . ?
C80 C82 C83 121(2) . . ?
C80 C82 H82 119.5 . . ?
C83 C82 H82 119.5 . . ?
C81 C83 C82 116.4(18) . . ?
C81 C83 C84 123.7(19) . . ?
C82 C83 C84 120.0(16) . . ?
C83 C84 N7 112.1(11) . . ?
C83 C84 H84A 109.2 . . ?
N7 C84 H84A 109.2 . . ?
C83 C84 H84B 109.2 . . ?
N7 C84 H84B 109.2 . . ?
H84A C84 H84B 107.9 . . ?
N13 Pd7 N14 85.5(4) . . ?
N13 Pd7 Cl14 172.6(3) . . ?
N14 Pd7 Cl14 90.7(3) . . ?
N13 Pd7 Cl13 89.9(3) . . ?
N14 Pd7 Cl13 174.9(3) . . ?
Cl14 Pd7 Cl13 94.09(12) . . ?
N16 Pd8 N15 85.3(4) . . ?
N16 Pd8 Cl15 175.9(3) . . ?
N15 Pd8 Cl15 90.6(3) . . ?
N16 Pd8 Cl16 91.1(3) . . ?
N15 Pd8 Cl16 175.9(3) . . ?
Cl15 Pd8 Cl16 93.00(13) . . ?
N18 Pd9 N17 84.1(5) . . ?
N18 Pd9 Cl18 91.8(4) . . ?
N17 Pd9 Cl18 175.2(3) . . ?
N18 Pd9 Cl17 173.6(3) . . ?
N17 Pd9 Cl17 91.7(3) . . ?
Cl18 Pd9 Cl17 92.52(17) . . ?
C85 N13 C126 113.9(10) . . ?
C85 N13 Pd7 106.7(7) . . ?
C126 N13 Pd7 112.3(7) . . ?
C85 N13 H13N 107.9 . . ?
C126 N13 H13N 107.9 . . ?
Pd7 N13 H13N 107.9 . . ?
C90 N14 C91 114.5(10) . . ?
C90 N14 Pd7 107.3(8) . . ?
C91 N14 Pd7 116.1(9) . . ?
C90 N14 H14N 106.0 . . ?
C91 N14 H14N 106.0 . . ?
Pd7 N14 H14N 106.0 . . ?
C99 N15 C98 115.8(11) . . ?
C99 N15 Pd8 108.5(8) . . ?
C98 N15 Pd8 109.3(8) . . ?
C99 N15 H15N 107.7 . . ?
C98 N15 H15N 107.7 . . ?
Pd8 N15 H15N 107.7 . . ?
C104 N16 C105 112.1(11) . . ?
C104 N16 Pd8 107.4(8) . . ?
C105 N16 Pd8 116.0(9) . . ?
C104 N16 H16N 106.9 . . ?
C105 N16 H16N 106.9 . . ?
Pd8 N16 H16N 106.9 . . ?
C112 N17 C113 115.0(10) . . ?
C112 N17 Pd9 107.3(8) . . ?
C113 N17 Pd9 107.7(7) . . ?
C112 N17 H17N 108.9 . . ?
C113 N17 H17N 108.9 . . ?
Pd9 N17 H17N 108.9 . . ?
C118 N18 C119 112.5(13) . . ?
C118 N18 Pd9 109.4(9) . . ?
C119 N18 Pd9 119.3(10) . . ?
C118 N18 H18N 104.8 . . ?
C119 N18 H18N 104.8 . . ?
Pd9 N18 H18N 104.8 . . ?
C90 C85 C86 121.3(14) . . ?
C90 C85 N13 116.9(11) . . ?
C86 C85 N13 121.8(12) . . ?
C85 C86 C87 120.3(13) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C86 C87 C88 119.1(13) . . ?
C86 C87 H87 120.4 . . ?
C88 C87 H87 120.4 . . ?
C89 C88 C87 120.0(15) . . ?
C89 C88 H88 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C89 C90 119.0(14) . . ?
C88 C89 H89 120.5 . . ?
C90 C89 H89 120.5 . . ?
C85 C90 C89 119.8(12) . . ?
C85 C90 N14 119.2(13) . . ?
C89 C90 N14 120.8(11) . . ?
C92 C91 N14 113.7(11) . . ?
C92 C91 H91A 108.8 . . ?
N14 C91 H91A 108.8 . . ?
C92 C91 H91B 108.8 . . ?
N14 C91 H91B 108.8 . . ?
H91A C91 H91B 107.7 . . ?
C93 C92 C94 120.0(11) . . ?
C93 C92 C91 119.3(12) . . ?
C94 C92 C91 120.7(12) . . ?
C92 C93 C95 121.3(12) . . ?
C92 C93 H93 119.3 . . ?
C95 C93 H93 119.3 . . ?
C96 C94 C92 117.0(12) . . ?
C96 C94 H94 121.5 . . ?
C92 C94 H94 121.5 . . ?
C97 C95 C93 118.7(13) . . ?
C97 C95 H95 120.7 . . ?
C93 C95 H95 120.7 . . ?
C97 C96 C94 123.3(11) . . ?
C97 C96 H96 118.4 . . ?
C94 C96 H96 118.4 . . ?
C96 C97 C95 119.8(11) . . ?
C96 C97 C98 122.8(11) . . ?
C95 C97 C98 117.3(12) . . ?
N15 C98 C97 112.6(10) . . ?
N15 C98 H98A 109.1 . . ?
C97 C98 H98A 109.1 . . ?
N15 C98 H98B 109.1 . . ?
C97 C98 H98B 109.1 . . ?
H98A C98 H98B 107.8 . . ?
C104 C99 C100 118.2(14) . . ?
C104 C99 N15 118.7(13) . . ?
C100 C99 N15 123.0(12) . . ?
C99 C100 C101 121.7(14) . . ?
C99 C100 H100 119.1 . . ?
C101 C100 H100 119.1 . . ?
C102 C101 C100 121.0(16) . . ?
C102 C101 H101 119.5 . . ?
C100 C101 H101 119.5 . . ?
C101 C102 C103 117.8(18) . . ?
C101 C102 H102 121.1 . . ?
C103 C102 H102 121.1 . . ?
C104 C103 C102 117.9(16) . . ?
C104 C103 H103 121.1 . . ?
C102 C103 H103 121.1 . . ?
C99 C104 C103 122.8(14) . . ?
C99 C104 N16 117.6(13) . . ?
C103 C104 N16 119.5(13) . . ?
C106 C105 N16 109.8(10) . . ?
C106 C105 H10B 109.7 . . ?
N16 C105 H10B 109.7 . . ?
C106 C105 H10C 109.7 . . ?
N16 C105 H10C 109.7 . . ?
H10B C105 H10C 108.2 . . ?
C107 C106 C108 119.0(13) . . ?
C107 C106 C105 119.2(13) . . ?
C108 C106 C105 121.8(15) . . ?
C109 C107 C106 119.1(13) . . ?
C109 C107 H107 120.5 . . ?
C106 C107 H107 120.5 . . ?
C110 C108 C106 119.5(16) . . ?
C110 C108 H108 120.2 . . ?
C106 C108 H108 120.2 . . ?
C111 C109 C107 122.0(15) . . ?
C111 C109 H109 119.0 . . ?
C107 C109 H109 119.0 . . ?
C111 C110 C108 120.6(13) . . ?
C111 C110 H110 119.7 . . ?
C108 C110 H110 119.7 . . ?
C109 C111 C110 119.7(13) . . ?
C109 C111 C112 119.7(16) . . ?
C110 C111 C112 120.6(13) . . ?
C111 C112 N17 113.5(11) . . ?
C111 C112 H11B 108.9 . . ?
N17 C112 H11B 108.9 . . ?
C111 C112 H11C 108.9 . . ?
N17 C112 H11C 108.9 . . ?
H11B C112 H11C 107.7 . . ?
C118 C113 C114 131.0(16) . . ?
C118 C113 N17 113.6(13) . . ?
C114 C113 N17 115.4(11) . . ?
C113 C114 C115 114.3(14) . . ?
C113 C114 H114 122.9 . . ?
C115 C114 H114 122.9 . . ?
C114 C115 C116 117.1(16) . . ?
C114 C115 H115 121.4 . . ?
C116 C115 H115 121.4 . . ?
C117 C116 C115 122.1(18) . . ?
C117 C116 H116 119.0 . . ?
C115 C116 H116 119.0 . . ?
C116 C117 C118 120.8(16) . . ?
C116 C117 H117 119.6 . . ?
C118 C117 H117 119.6 . . ?
C113 C118 C117 114.6(16) . . ?
C113 C118 N18 122.5(16) . . ?
C117 C118 N18 122.7(14) . . ?
N18 C119 C120 110.4(10) . . ?
N18 C119 H11D 109.6 . . ?
C120 C119 H11D 109.6 . . ?
N18 C119 H11E 109.6 . . ?
C120 C119 H11E 109.6 . . ?
H11D C119 H11E 108.1 . . ?
C122 C120 C121 121.3(11) . . ?
C122 C120 C119 120.9(13) . . ?
C121 C120 C119 117.7(12) . . ?
C120 C121 C123 119.6(14) . . ?
C120 C121 H121 120.2 . . ?
C123 C121 H121 120.2 . . ?
C120 C122 C124 120.3(15) . . ?
C120 C122 H122 119.9 . . ?
C124 C122 H122 119.9 . . ?
C125 C123 C121 118.7(15) . . ?
C125 C123 H123 120.7 . . ?
C121 C123 H123 120.7 . . ?
C122 C124 C125 118.6(14) . . ?
C122 C124 H124 120.7 . . ?
C125 C124 H124 120.7 . . ?
C123 C125 C124 121.3(11) . . ?
C123 C125 C126 117.3(13) . . ?
C124 C125 C126 121.3(12) . . ?
C125 C126 N13 111.1(9) . . ?
C125 C126 H12B 109.4 . . ?
N13 C126 H12B 109.4 . . ?
C125 C126 H12C 109.4 . . ?
N13 C126 H12C 109.4 . . ?
H12B C126 H12C 108.0 . . ?
N19 Pd10 N20 83.5(4) . . ?
N19 Pd10 Cl20 174.7(4) . . ?
N20 Pd10 Cl20 91.4(3) . . ?
N19 Pd10 Cl19 91.6(3) . . ?
N20 Pd10 Cl19 174.7(3) . . ?
Cl20 Pd10 Cl19 93.56(14) . . ?
N21 Pd11 N22 81.8(6) . . ?
N21 Pd11 Cl22 171.9(5) . . ?
N22 Pd11 Cl22 94.5(5) . . ?
N21 Pd11 Cl21 90.6(6) . . ?
N22 Pd11 Cl21 172.3(5) . . ?
Cl22 Pd11 Cl21 92.8(3) . . ?
N23 Pd12 N24 85.3(8) . . ?
N23 Pd12 Cl23 92.2(7) . . ?
N24 Pd12 Cl23 177.0(7) . . ?
N23 Pd12 Cl24 171.0(7) . . ?
N24 Pd12 Cl24 85.7(8) . . ?
Cl23 Pd12 Cl24 96.8(4) . . ?
C127 N19 C168 113.3(12) . . ?
C127 N19 Pd10 108.9(8) . . ?
C168 N19 Pd10 116.4(10) . . ?
C127 N19 H19N 105.8 . . ?
C168 N19 H19N 105.8 . . ?
Pd10 N19 H19N 105.8 . . ?
C132 N20 C133 115.4(12) . . ?
C132 N20 Pd10 109.1(8) . . ?
C133 N20 Pd10 108.0(8) . . ?
C132 N20 H20N 108.0 . . ?
C133 N20 H20N 108.0 . . ?
Pd10 N20 H20N 108.0 . . ?
C141 N21 C140 117.9(14) . . ?
C141 N21 Pd11 109.7(12) . . ?
C140 N21 Pd11 115.9(11) . . ?
C141 N21 H21N 103.7 . . ?
C140 N21 H21N 103.7 . . ?
Pd11 N21 H21N 103.7 . . ?
C146 N22 C147 123.9(17) . . ?
C146 N22 Pd11 106.4(13) . . ?
C147 N22 Pd11 107.5(11) . . ?
C146 N22 H22N 106.0 . . ?
C147 N22 H22N 106.0 . . ?
Pd11 N22 H22N 106.0 . . ?
C155 N23 C154 107(2) . . ?
C155 N23 Pd12 119.3(19) . . ?
C154 N23 Pd12 122.0(16) . . ?
C155 N23 H23N 101.3 . . ?
C154 N23 H23N 101.3 . . ?
Pd12 N23 H23N 101.3 . . ?
C160 N24 C161 108(2) . . ?
C160 N24 Pd12 101.9(16) . . ?
C161 N24 Pd12 105.6(14) . . ?
C160 N24 H24N 113.4 . . ?
C161 N24 H24N 113.4 . . ?
Pd12 N24 H24N 113.4 . . ?
C128 C127 C132 121.3(15) . . ?
C128 C127 N19 123.0(14) . . ?
C132 C127 N19 115.6(13) . . ?
C127 C128 C129 122.2(14) . . ?
C127 C128 H128 118.9 . . ?
C129 C128 H128 118.9 . . ?
C130 C129 C128 117.4(14) . . ?
C130 C129 H129 121.3 . . ?
C128 C129 H129 121.3 . . ?
C129 C130 C131 120.6(14) . . ?
C129 C130 H130 119.7 . . ?
C131 C130 H130 119.7 . . ?
C132 C131 C130 119.8(13) . . ?
C132 C131 H131 120.1 . . ?
C130 C131 H131 120.1 . . ?
C127 C132 N20 119.4(13) . . ?
C127 C132 C131 118.6(14) . . ?
N20 C132 C131 122.0(12) . . ?
N20 C133 C134 111.6(11) . . ?
N20 C133 H13A 109.3 . . ?
C134 C133 H13A 109.3 . . ?
N20 C133 H13B 109.3 . . ?
C134 C133 H13B 109.3 . . ?
H13A C133 H13B 108.0 . . ?
C135 C134 C136 119.6(13) . . ?
C135 C134 C133 117.3(14) . . ?
C136 C134 C133 123.0(13) . . ?
C134 C135 C137 120.5(14) . . ?
C134 C135 H135 119.7 . . ?
C137 C135 H135 119.7 . . ?
C138 C136 C134 121.0(13) . . ?
C138 C136 H136 119.5 . . ?
C134 C136 H136 119.5 . . ?
C139 C137 C135 118.5(12) . . ?
C139 C137 H137 120.7 . . ?
C135 C137 H137 120.7 . . ?
C136 C138 C139 121.1(13) . . ?
C136 C138 H138 119.5 . . ?
C139 C138 H138 119.5 . . ?
C138 C139 C137 119.2(13) . . ?
C138 C139 C140 116.5(13) . . ?
C137 C139 C140 124.2(13) . . ?
N21 C140 C139 106.6(13) . . ?
N21 C140 H14C 110.4 . . ?
C139 C140 H14C 110.4 . . ?
N21 C140 H14D 110.4 . . ?
C139 C140 H14D 110.4 . . ?
H14C C140 H14D 108.6 . . ?
C146 C141 N21 114.2(16) . . ?
C146 C141 C142 124.3(14) . . ?
N21 C141 C142 121.5(16) . . ?
C143 C142 C141 117.5(15) . . ?
C143 C142 H142 121.3 . . ?
C141 C142 H142 121.3 . . ?
C144 C143 C142 120.6(15) . . ?
C144 C143 H143 119.7 . . ?
C142 C143 H143 119.7 . . ?
C143 C144 C145 123.2(15) . . ?
C143 C144 H144 118.4 . . ?
C145 C144 H144 118.4 . . ?
C144 C145 C146 117.3(15) . . ?
C144 C145 H145 121.3 . . ?
C146 C145 H145 121.3 . . ?
N22 C146 C141 122.0(17) . . ?
N22 C146 C145 121.0(17) . . ?
C141 C146 C145 116.9(14) . . ?
C148 C147 N22 131.5(15) . . ?
C148 C147 H14E 104.4 . . ?
N22 C147 H14E 104.4 . . ?
C148 C147 H14F 104.4 . . ?
N22 C147 H14F 104.4 . . ?
H14E C147 H14F 105.6 . . ?
C147 C148 C149 125.8(17) . . ?
C147 C148 C150 118.0(17) . . ?
C149 C148 C150 115.5(11) . . ?
C151 C149 C148 121.0(11) . . ?
C151 C149 H149 119.5 . . ?
C148 C149 H149 119.5 . . ?
C152 C150 C148 122.2(11) . . ?
C152 C150 H150 118.9 . . ?
C148 C150 H150 118.9 . . ?
C153 C151 C149 121.8(12) . . ?
C153 C151 H151 119.1 . . ?
C149 C151 H151 119.1 . . ?
C150 C152 C153 119.2(12) . . ?
C150 C152 H152 120.4 . . ?
C153 C152 H152 120.4 . . ?
C151 C153 C152 120.0(11) . . ?
C151 C153 C154 119.3(17) . . ?
C152 C153 C154 120.7(17) . . ?
N23 C154 C153 107.8(14) . . ?
N23 C154 H15A 110.1 . . ?
C153 C154 H15A 110.1 . . ?
N23 C154 H15B 110.1 . . ?
C153 C154 H15B 110.1 . . ?
H15A C154 H15B 108.5 . . ?
C156 C155 C160 121.8(12) . . ?
C156 C155 N23 129(2) . . ?
C160 C155 N23 108(2) . . ?
C155 C156 C157 119.3(13) . . ?
C155 C156 H156 120.3 . . ?
C157 C156 H156 120.3 . . ?
C158 C157 C156 118.9(13) . . ?
C158 C157 H157 120.5 . . ?
C156 C157 H157 120.5 . . ?
C159 C158 C157 121.4(13) . . ?
C159 C158 H158 119.3 . . ?
C157 C158 H158 119.3 . . ?
C158 C159 C160 119.5(13) . . ?
C158 C159 H159 120.2 . . ?
C160 C159 H159 120.2 . . ?
C155 C160 C159 119.0(12) . . ?
C155 C160 N24 120.6(19) . . ?
C159 C160 N24 120(2) . . ?
N24 C161 C162 108.7(17) . . ?
N24 C161 H16B 109.9 . . ?
C162 C161 H16B 109.9 . . ?
N24 C161 H16C 109.9 . . ?
C162 C161 H16C 109.9 . . ?
H16B C161 H16C 108.3 . . ?
C163 C162 C164 121(2) . . ?
C163 C162 C161 120(3) . . ?
C164 C162 C161 118(3) . . ?
C162 C163 C165 122(2) . . ?
C162 C163 H163 119.2 . . ?
C165 C163 H163 119.2 . . ?
C162 C164 C166 117(2) . . ?
C162 C164 H164 121.6 . . ?
C166 C164 H164 121.6 . . ?
C167 C165 C163 115(2) . . ?
C167 C165 H165 122.3 . . ?
C163 C165 H165 122.3 . . ?
C167 C166 C164 121(2) . . ?
C167 C166 H166 119.6 . . ?
C164 C166 H166 119.6 . . ?
C166 C167 C165 124(2) . . ?
C166 C167 C168 120.2(18) . . ?
C165 C167 C168 115.7(19) . . ?
N19 C168 C167 110.8(11) . . ?
N19 C168 H16D 109.5 . . ?
C167 C168 H16D 109.5 . . ?
N19 C168 H16E 109.5 . . ?
C167 C168 H16E 109.5 . . ?
H16D C168 H16E 108.1 . . ?
C6R C1R C2R 117(2) . . ?
C6R C1R C7R 125(3) . . ?
C2R C1R C7R 118(2) . . ?
C3R C2R C1R 119(2) . . ?
C3R C2R H2R 120.6 . . ?
C1R C2R H2R 120.6 . . ?
C2R C3R C4R 123(2) . . ?
C2R C3R Cl1R 117(2) . . ?
C4R C3R Cl1R 120(2) . . ?
C3R C4R C5R 118(2) . . ?
C3R C4R H4R 121.0 . . ?
C5R C4R H4R 121.0 . . ?
C6R C5R C4R 123(2) . . ?
C6R C5R H5R 118.6 . . ?
C4R C5R H5R 118.6 . . ?
C5R C6R C1R 120(2) . . ?
C5R C6R H6R 119.9 . . ?
C1R C6R H6R 119.9 . . ?
O1R C7R C1R 112(2) . . ?
O1R C7R C8R 109(2) . . ?
C1R C7R C8R 110(3) . . ?
O1R C7R H7R 108.8 . . ?
C1R C7R H7R 108.8 . . ?
C8R C7R H7R 108.8 . . ?
C7R C8R H8R1 109.5 . . ?
C7R C8R H8R2 109.5 . . ?
H8R1 C8R H8R2 109.5 . . ?
C7R C8R H8R3 109.5 . . ?
H8R1 C8R H8R3 109.5 . . ?
H8R2 C8R H8R3 109.5 . . ?
C10R C9R C14R 120.7(16) . . ?
C9R C10R C11R 119.2(16) . . ?
C12R C11R C10R 120.3(16) . . ?
C12R C11R C14Q 116(4) . . ?
C10R C11R C14Q 124(4) . . ?
C11R C12R C13R 120.4(16) . . ?
C14R C13R C12R 119.5(16) . . ?
C13R C14R C9R 119.9(16) . . ?
N5S C5S C5T 155(7) . . ?
C5S C5T H5T1 109.5 . . ?
C5S C5T H5T2 109.5 . . ?
H5T1 C5T H5T2 109.5 . . ?
C5S C5T H5T3 109.5 . . ?
H5T1 C5T H5T3 109.5 . . ?
H5T2 C5T H5T3 109.5 . . ?
C22R C17R C18R 120.8(17) . . ?
C22R C17R C23R 123.5(19) . . ?
C18R C17R C23R 115.7(18) . . ?
C19R C18R C17R 118.0(17) . . ?
C19R C18R H18R 121.0 . . ?
C17R C18R H18R 121.0 . . ?
C20R C19R C18R 121.9(17) . . ?
C20R C19R Cl3R 121.0(18) . . ?
C18R C19R Cl3R 117.1(18) . . ?
C19R C20R C21R 120.2(17) . . ?
C19R C20R H20R 119.9 . . ?
C21R C20R H20R 119.9 . . ?
C22R C21R C20R 117.9(17) . . ?
C22R C21R H21R 121.1 . . ?
C20R C21R H21R 121.1 . . ?
C17R C22R C21R 121.1(18) . . ?
C17R C22R H22R 119.4 . . ?
C21R C22R H22R 119.4 . . ?
O3R C23R C17R 106(3) . . ?
C2G C1G C6G 120.0 . . ?
C2G C1G C7G 117.5(16) . . ?
C6G C1G C7G 122.2(16) . . ?
O2G C2G C3G 120.4(13) . . ?
O2G C2G C1G 119.6(13) . . ?
C3G C2G C1G 120.0 . . ?
C2G C3G C4G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C4G C3G H3G 120.0 . . ?
C3G C4G C5G 120.0 . . ?
C3G C4G H4G 120.0 . . ?
C5G C4G H4G 120.0 . . ?
C4G C5G C6G 120.0 . . ?
C4G C5G H5G 120.0 . . ?
C6G C5G H5G 120.0 . . ?
C5G C6G C1G 120.0 . . ?
C5G C6G H6G 120.0 . . ?
C1G C6G H6G 120.0 . . ?
O1G C7G C1G 130(3) . . ?
O1G C7G C8G 119(3) . . ?
C1G C7G C8G 110(3) . . ?
C7G C8G H8G1 109.5 . . ?
C7G C8G H8G2 109.5 . . ?
H8G1 C8G H8G2 109.5 . . ?
C7G C8G H8G3 109.5 . . ?
H8G1 C8G H8G3 109.5 . . ?
H8G2 C8G H8G3 109.5 . . ?
N1S C1S C1T 176.9(16) . . ?
C1S C1T H1T1 109.5 . . ?
C1S C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C1S C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
N2S C2S C2T 176.6(15) . . ?
C2S C2T H2T1 109.5 . . ?
C2S C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
C2S C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N3S C3S C3T 166(4) . . ?
C3S C3T H3T1 109.5 . . ?
C3S C3T H3T2 109.5 . . ?
H3T1 C3T H3T2 109.5 . . ?
C3S C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 109.5 . . ?
N4S C4S C4T 154(7) . . ?
C4S C4T H4T1 109.5 . . ?
C4S C4T H4T2 109.5 . . ?
H4T1 C4T H4T2 109.5 . . ?
C4S C4T H4T3 109.5 . . ?
H4T1 C4T H4T3 109.5 . . ?
H4T2 C4T H4T3 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
C42 N1 C1 C2 -78.2(14) . . . . ?
Pd1 N1 C1 C2 158.9(10) . . . . ?
C42 N1 C1 C6 105.4(12) . . . . ?
Pd1 N1 C1 C6 -17.5(12) . . . . ?
C6 C1 C2 C3 -4.4(19) . . . . ?
N1 C1 C2 C3 179.4(11) . . . . ?
C1 C2 C3 C4 0(2) . . . . ?
C2 C3 C4 C5 4(2) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C2 C1 C6 C5 6.2(19) . . . . ?
N1 C1 C6 C5 -177.5(11) . . . . ?
C2 C1 C6 N2 -170.0(11) . . . . ?
N1 C1 C6 N2 6.3(16) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C4 C5 C6 N2 173.1(12) . . . . ?
C7 N2 C6 C1 -121.8(12) . . . . ?
Pd1 N2 C6 C1 8.3(13) . . . . ?
C7 N2 C6 C5 62.0(15) . . . . ?
Pd1 N2 C6 C5 -167.9(10) . . . . ?
C6 N2 C7 C8 73.3(14) . . . . ?
Pd1 N2 C7 C8 -52.7(13) . . . . ?
N2 C7 C8 C10 -82.6(17) . . . . ?
N2 C7 C8 C9 98.6(14) . . . . ?
C10 C8 C9 C11 2(2) . . . . ?
C7 C8 C9 C11 -179.2(13) . . . . ?
C9 C8 C10 C12 -3(2) . . . . ?
C7 C8 C10 C12 177.8(13) . . . . ?
C8 C9 C11 C13 0(2) . . . . ?
C8 C10 C12 C13 3(2) . . . . ?
C10 C12 C13 C11 0(2) . . . . ?
C10 C12 C13 C14 176.0(13) . . . . ?
C9 C11 C13 C12 -1(2) . . . . ?
C9 C11 C13 C14 -177.2(14) . . . . ?
C12 C13 C14 N3 -102.6(15) . . . . ?
C11 C13 C14 N3 73.7(18) . . . . ?
C15 N3 C14 C13 67.1(15) . . . . ?
Pd2 N3 C14 C13 -175.0(10) . . . . ?
C14 N3 C15 C20 105.7(13) . . . . ?
Pd2 N3 C15 C20 -15.3(14) . . . . ?
C14 N3 C15 C16 -73.5(15) . . . . ?
Pd2 N3 C15 C16 165.5(11) . . . . ?
C20 C15 C16 C17 0(2) . . . . ?
N3 C15 C16 C17 179.4(14) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C16 C17 C18 C19 1(3) . . . . ?
C17 C18 C19 C20 1(3) . . . . ?
C16 C15 C20 C19 1(2) . . . . ?
N3 C15 C20 C19 -178.2(12) . . . . ?
C16 C15 C20 N4 -174.3(12) . . . . ?
N3 C15 C20 N4 6.5(18) . . . . ?
C18 C19 C20 C15 -1(2) . . . . ?
C18 C19 C20 N4 173.9(14) . . . . ?
C21 N4 C20 C15 -122.8(14) . . . . ?
Pd2 N4 C20 C15 6.0(14) . . . . ?
C21 N4 C20 C19 61.8(17) . . . . ?
Pd2 N4 C20 C19 -169.3(11) . . . . ?
C20 N4 C21 C22 73.3(17) . . . . ?
Pd2 N4 C21 C22 -51.3(15) . . . . ?
N4 C21 C22 C23 89.9(15) . . . . ?
N4 C21 C22 C24 -87.6(16) . . . . ?
C24 C22 C23 C25 0(2) . . . . ?
C21 C22 C23 C25 -177.2(11) . . . . ?
C23 C22 C24 C26 -2(2) . . . . ?
C21 C22 C24 C26 175.4(12) . . . . ?
C22 C23 C25 C27 1.6(19) . . . . ?
C22 C24 C26 C27 2(2) . . . . ?
C23 C25 C27 C26 -1.9(19) . . . . ?
C23 C25 C27 C28 178.2(11) . . . . ?
C24 C26 C27 C25 0.2(19) . . . . ?
C24 C26 C27 C28 -179.9(12) . . . . ?
C25 C27 C28 N5 83.2(16) . . . . ?
C26 C27 C28 N5 -96.7(15) . . . . ?
C29 N5 C28 C27 79.4(14) . . . . ?
Pd3 N5 C28 C27 -159.3(11) . . . . ?
C28 N5 C29 C34 105.6(11) . . . . ?
Pd3 N5 C29 C34 -16.4(10) . . . . ?
C28 N5 C29 C30 -73.0(12) . . . . ?
Pd3 N5 C29 C30 165.0(9) . . . . ?
C34 C29 C30 C31 1(2) . . . . ?
N5 C29 C30 C31 179.2(11) . . . . ?
C29 C30 C31 C32 -1(2) . . . . ?
C30 C31 C32 C33 1(2) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C30 C29 C34 C33 0.2(19) . . . . ?
N5 C29 C34 C33 -178.3(10) . . . . ?
C30 C29 C34 N6 -174.9(12) . . . . ?
N5 C29 C34 N6 6.7(15) . . . . ?
C32 C33 C34 C29 -1(2) . . . . ?
C32 C33 C34 N6 174.4(12) . . . . ?
C35 N6 C34 C29 -127.5(12) . . . . ?
Pd3 N6 C34 C29 6.4(13) . . . . ?
C35 N6 C34 C33 57.7(15) . . . . ?
Pd3 N6 C34 C33 -168.4(10) . . . . ?
C34 N6 C35 C36 77.9(16) . . . . ?
Pd3 N6 C35 C36 -52.0(15) . . . . ?
N6 C35 C36 C37 104.3(14) . . . . ?
N6 C35 C36 C38 -78.1(16) . . . . ?
C38 C36 C37 C39 0.7(17) . . . . ?
C35 C36 C37 C39 178.3(10) . . . . ?
C37 C36 C38 C40 -4.1(17) . . . . ?
C35 C36 C38 C40 178.2(11) . . . . ?
C36 C37 C39 C41 3.0(18) . . . . ?
C36 C38 C40 C41 4.0(18) . . . . ?
C37 C39 C41 C40 -3.2(18) . . . . ?
C37 C39 C41 C42 -179.9(10) . . . . ?
C38 C40 C41 C39 -0.4(19) . . . . ?
C38 C40 C41 C42 176.1(11) . . . . ?
C1 N1 C42 C41 66.6(14) . . . . ?
Pd1 N1 C42 C41 -172.3(9) . . . . ?
C39 C41 C42 N1 85.4(15) . . . . ?
C40 C41 C42 N1 -91.1(15) . . . . ?
C84 N7 C43 C48 118.0(15) . . . . ?
Pd4 N7 C43 C48 -10.0(17) . . . . ?
C84 N7 C43 C44 -66.2(19) . . . . ?
Pd4 N7 C43 C44 165.8(13) . . . . ?
C48 C43 C44 C45 1(3) . . . . ?
N7 C43 C44 C45 -174.9(15) . . . . ?
C43 C44 C45 C46 1(3) . . . . ?
C44 C45 C46 C47 -1(3) . . . . ?
C45 C46 C47 C48 -2(2) . . . . ?
C46 C47 C48 C43 4(2) . . . . ?
C46 C47 C48 N8 -179.4(14) . . . . ?
C44 C43 C48 C47 -3(2) . . . . ?
N7 C43 C48 C47 172.6(13) . . . . ?
C44 C43 C48 N8 179.9(14) . . . . ?
N7 C43 C48 N8 -4(2) . . . . ?
C49 N8 C48 C47 77.3(17) . . . . ?
Pd4 N8 C48 C47 -160.4(12) . . . . ?
C49 N8 C48 C43 -105.9(14) . . . . ?
Pd4 N8 C48 C43 16.4(17) . . . . ?
C48 N8 C49 C50 -62.1(14) . . . . ?
Pd4 N8 C49 C50 176.8(8) . . . . ?
N8 C49 C50 C52 102.0(17) . . . . ?
N8 C49 C50 C51 -77.0(17) . . . . ?
C52 C50 C51 C53 -2(2) . . . . ?
C49 C50 C51 C53 177.4(14) . . . . ?
C51 C50 C52 C54 -2(2) . . . . ?
C49 C50 C52 C54 179.3(13) . . . . ?
C50 C51 C53 C55 4(2) . . . . ?
C50 C52 C54 C55 3(2) . . . . ?
C52 C54 C55 C53 0(2) . . . . ?
C52 C54 C55 C56 177.4(14) . . . . ?
C51 C53 C55 C54 -3(2) . . . . ?
C51 C53 C55 C56 179.2(14) . . . . ?
C54 C55 C56 N9 93.5(18) . . . . ?
C53 C55 C56 N9 -88.8(18) . . . . ?
C57 N9 C56 C55 60.1(18) . . . . ?
Pd5 N9 C56 C55 -65.8(16) . . . . ?
C56 N9 C57 C62 -118.4(15) . . . . ?
Pd5 N9 C57 C62 13.2(16) . . . . ?
C56 N9 C57 C58 64(2) . . . . ?
Pd5 N9 C57 C58 -164.0(13) . . . . ?
C62 C57 C58 C59 2(3) . . . . ?
N9 C57 C58 C59 179.0(15) . . . . ?
C57 C58 C59 C60 -2(3) . . . . ?
C58 C59 C60 C61 4(3) . . . . ?
C59 C60 C61 C62 -7(3) . . . . ?
C58 C57 C62 N10 179.8(16) . . . . ?
N9 C57 C62 N10 3(2) . . . . ?
C58 C57 C62 C61 -5(2) . . . . ?
N9 C57 C62 C61 178.0(14) . . . . ?
C63 N10 C62 C57 108.9(18) . . . . ?
Pd5 N10 C62 C57 -16.5(18) . . . . ?
C63 N10 C62 C61 -66.1(18) . . . . ?
Pd5 N10 C62 C61 168.6(13) . . . . ?
C60 C61 C62 C57 7(2) . . . . ?
C60 C61 C62 N10 -177.3(15) . . . . ?
C62 N10 C63 C64 175.2(15) . . . . ?
Pd5 N10 C63 C64 -69.2(18) . . . . ?
N10 C63 C64 C65 -86(3) . . . . ?
N10 C63 C64 C66 100(2) . . . . ?
C66 C64 C65 C67 -11(4) . . . . ?
C63 C64 C65 C67 176(2) . . . . ?
C65 C64 C66 C68 11(4) . . . . ?
C63 C64 C66 C68 -176(3) . . . . ?
C64 C65 C67 C69 12(6) . . . . ?
C64 C66 C68 C69 -11(5) . . . . ?
C65 C67 C69 C68 -11(6) . . . . ?
C65 C67 C69 C70 170(3) . . . . ?
C66 C68 C69 C67 11(6) . . . . ?
C66 C68 C69 C70 -169(3) . . . . ?
C67 C69 C70 N11 -83(4) . . . . ?
C68 C69 C70 N11 97(4) . . . . ?
C71 N11 C70 C69 -92(3) . . . . ?
Pd6 N11 C70 C69 41(3) . . . . ?
C70 N11 C71 C72 -56(3) . . . . ?
Pd6 N11 C71 C72 165.6(17) . . . . ?
C70 N11 C71 C76 126(2) . . . . ?
Pd6 N11 C71 C76 -13(2) . . . . ?
C76 C71 C72 C73 4(3) . . . . ?
N11 C71 C72 C73 -175(2) . . . . ?
C71 C72 C73 C74 -1(3) . . . . ?
C72 C73 C74 C75 -3(3) . . . . ?
C73 C74 C75 C76 6(3) . . . . ?
C74 C75 C76 C71 -4(2) . . . . ?
C74 C75 C76 N12 180(2) . . . . ?
C72 C71 C76 C75 -1(3) . . . . ?
N11 C71 C76 C75 177(2) . . . . ?
C72 C71 C76 N12 176(2) . . . . ?
N11 C71 C76 N12 -6(3) . . . . ?
C77 N12 C76 C75 76(3) . . . . ?
Pd6 N12 C76 C75 -162.4(15) . . . . ?
C77 N12 C76 C71 -100(2) . . . . ?
Pd6 N12 C76 C71 21(2) . . . . ?
C76 N12 C77 C78 -59(3) . . . . ?
Pd6 N12 C77 C78 -177.6(19) . . . . ?
N12 C77 C78 C79 -90(3) . . . . ?
N12 C77 C78 C80 97(2) . . . . ?
C80 C78 C79 C81 -4(3) . . . . ?
C77 C78 C79 C81 -176.9(17) . . . . ?
C79 C78 C80 C82 7(3) . . . . ?
C77 C78 C80 C82 179.4(17) . . . . ?
C78 C79 C81 C83 0(3) . . . . ?
C78 C80 C82 C83 -5(3) . . . . ?
C79 C81 C83 C82 2(2) . . . . ?
C79 C81 C83 C84 -176.8(15) . . . . ?
C80 C82 C83 C81 1(2) . . . . ?
C80 C82 C83 C84 179.8(14) . . . . ?
C81 C83 C84 N7 -88.7(18) . . . . ?
C82 C83 C84 N7 92.5(16) . . . . ?
C43 N7 C84 C83 -79.0(16) . . . . ?
Pd4 N7 C84 C83 45.6(16) . . . . ?
C126 N13 C85 C90 -104.7(12) . . . . ?
Pd7 N13 C85 C90 19.8(12) . . . . ?
C126 N13 C85 C86 78.0(13) . . . . ?
Pd7 N13 C85 C86 -157.5(9) . . . . ?
C90 C85 C86 C87 3.2(19) . . . . ?
N13 C85 C86 C87 -179.6(11) . . . . ?
C85 C86 C87 C88 3(2) . . . . ?
C86 C87 C88 C89 -6(2) . . . . ?
C87 C88 C89 C90 3(2) . . . . ?
C86 C85 C90 C89 -6.7(18) . . . . ?
N13 C85 C90 C89 176.0(10) . . . . ?
C86 C85 C90 N14 169.2(10) . . . . ?
N13 C85 C90 N14 -8.1(16) . . . . ?
C88 C89 C90 C85 3.5(19) . . . . ?
C88 C89 C90 N14 -172.3(11) . . . . ?
C91 N14 C90 C85 122.3(13) . . . . ?
Pd7 N14 C90 C85 -8.1(12) . . . . ?
C91 N14 C90 C89 -61.8(15) . . . . ?
Pd7 N14 C90 C89 167.8(10) . . . . ?
C90 N14 C91 C92 -72.4(16) . . . . ?
Pd7 N14 C91 C92 53.6(14) . . . . ?
N14 C91 C92 C93 -97.8(14) . . . . ?
N14 C91 C92 C94 80.0(17) . . . . ?
C94 C92 C93 C95 -1(2) . . . . ?
C91 C92 C93 C95 176.8(13) . . . . ?
C93 C92 C94 C96 -0.1(19) . . . . ?
C91 C92 C94 C96 -177.8(12) . . . . ?
C92 C93 C95 C97 1(2) . . . . ?
C92 C94 C96 C97 1(2) . . . . ?
C94 C96 C97 C95 -2(2) . . . . ?
C94 C96 C97 C98 -177.8(12) . . . . ?
C93 C95 C97 C96 0(2) . . . . ?
C93 C95 C97 C98 176.9(12) . . . . ?
C99 N15 C98 C97 -60.5(15) . . . . ?
Pd8 N15 C98 C97 176.7(9) . . . . ?
C96 C97 C98 N15 95.8(15) . . . . ?
C95 C97 C98 N15 -80.5(16) . . . . ?
C98 N15 C99 C104 -108.5(14) . . . . ?
Pd8 N15 C99 C104 14.7(15) . . . . ?
C98 N15 C99 C100 74.3(16) . . . . ?
Pd8 N15 C99 C100 -162.5(11) . . . . ?
C104 C99 C100 C101 2(2) . . . . ?
N15 C99 C100 C101 179.6(14) . . . . ?
C99 C100 C101 C102 4(3) . . . . ?
C100 C101 C102 C103 -9(3) . . . . ?
C101 C102 C103 C104 8(2) . . . . ?
C100 C99 C104 C103 -4(2) . . . . ?
N15 C99 C104 C103 178.8(13) . . . . ?
C100 C99 C104 N16 171.5(12) . . . . ?
N15 C99 C104 N16 -5.8(18) . . . . ?
C102 C103 C104 C99 -1(2) . . . . ?
C102 C103 C104 N16 -176.4(13) . . . . ?
C105 N16 C104 C99 122.1(13) . . . . ?
Pd8 N16 C104 C99 -6.4(14) . . . . ?
C105 N16 C104 C103 -62.3(16) . . . . ?
Pd8 N16 C104 C103 169.1(11) . . . . ?
C104 N16 C105 C106 -76.1(15) . . . . ?
Pd8 N16 C105 C106 47.9(14) . . . . ?
N16 C105 C106 C107 -92.7(15) . . . . ?
N16 C105 C106 C108 87.4(16) . . . . ?
C108 C106 C107 C109 1.9(19) . . . . ?
C105 C106 C107 C109 -178.0(12) . . . . ?
C107 C106 C108 C110 -1(2) . . . . ?
C105 C106 C108 C110 178.5(13) . . . . ?
C106 C107 C109 C111 0(2) . . . . ?
C106 C108 C110 C111 -1(2) . . . . ?
C107 C109 C111 C110 -3(2) . . . . ?
C107 C109 C111 C112 -179.8(12) . . . . ?
C108 C110 C111 C109 3(2) . . . . ?
C108 C110 C111 C112 -179.8(13) . . . . ?
C109 C111 C112 N17 -84.4(17) . . . . ?
C110 C111 C112 N17 98.7(16) . . . . ?
C113 N17 C112 C111 -77.4(14) . . . . ?
Pd9 N17 C112 C111 162.9(11) . . . . ?
C112 N17 C113 C118 -105.3(12) . . . . ?
Pd9 N17 C113 C118 14.2(11) . . . . ?
C112 N17 C113 C114 76.0(13) . . . . ?
Pd9 N17 C113 C114 -164.4(9) . . . . ?
C118 C113 C114 C115 3(2) . . . . ?
N17 C113 C114 C115 -178.8(11) . . . . ?
C113 C114 C115 C116 -3(2) . . . . ?
C114 C115 C116 C117 3(2) . . . . ?
C115 C116 C117 C118 -2(2) . . . . ?
C114 C113 C118 C117 -2(2) . . . . ?
N17 C113 C118 C117 179.4(10) . . . . ?
C114 C113 C118 N18 173.9(12) . . . . ?
N17 C113 C118 N18 -4.5(15) . . . . ?
C116 C117 C118 C113 2(2) . . . . ?
C116 C117 C118 N18 -174.5(13) . . . . ?
C119 N18 C118 C113 126.8(13) . . . . ?
Pd9 N18 C118 C113 -8.1(14) . . . . ?
C119 N18 C118 C117 -57.5(16) . . . . ?
Pd9 N18 C118 C117 167.6(10) . . . . ?
C118 N18 C119 C120 -76.4(16) . . . . ?
Pd9 N18 C119 C120 53.6(16) . . . . ?
N18 C119 C120 C122 79.8(18) . . . . ?
N18 C119 C120 C121 -98.7(14) . . . . ?
C122 C120 C121 C123 2.9(18) . . . . ?
C119 C120 C121 C123 -178.6(11) . . . . ?
C121 C120 C122 C124 1.2(19) . . . . ?
C119 C120 C122 C124 -177.2(12) . . . . ?
C120 C121 C123 C125 -4.6(18) . . . . ?
C120 C122 C124 C125 -3.5(19) . . . . ?
C121 C123 C125 C124 2.3(19) . . . . ?
C121 C123 C125 C126 -179.4(11) . . . . ?
C122 C124 C125 C123 1.7(19) . . . . ?
C122 C124 C125 C126 -176.5(11) . . . . ?
C123 C125 C126 N13 -84.7(15) . . . . ?
C124 C125 C126 N13 93.6(14) . . . . ?
C85 N13 C126 C125 -67.4(14) . . . . ?
Pd7 N13 C126 C125 171.2(9) . . . . ?
N24 Pd12 N23 C155 -17.7(17) . . . . ?
Cl23 Pd12 N23 C155 160.7(16) . . . . ?
N24 Pd12 N23 C154 121.3(19) . . . . ?
Cl23 Pd12 N23 C154 -60.3(18) . . . . ?
C168 N19 C127 C128 62(2) . . . . ?
Pd10 N19 C127 C128 -166.5(14) . . . . ?
C168 N19 C127 C132 -121.2(14) . . . . ?
Pd10 N19 C127 C132 10.0(17) . . . . ?
C132 C127 C128 C129 -5(3) . . . . ?
N19 C127 C128 C129 171.3(16) . . . . ?
C127 C128 C129 C130 5(3) . . . . ?
C128 C129 C130 C131 -2(3) . . . . ?
C129 C130 C131 C132 0(2) . . . . ?
C128 C127 C132 N20 -179.0(15) . . . . ?
N19 C127 C132 N20 4(2) . . . . ?
C128 C127 C132 C131 3(2) . . . . ?
N19 C127 C132 C131 -173.8(13) . . . . ?
C133 N20 C132 C127 105.3(15) . . . . ?
Pd10 N20 C132 C127 -16.4(17) . . . . ?
C133 N20 C132 C131 -76.4(17) . . . . ?
Pd10 N20 C132 C131 161.8(12) . . . . ?
C130 C131 C132 C127 0(2) . . . . ?
C130 C131 C132 N20 -178.6(14) . . . . ?
C132 N20 C133 C134 62.6(15) . . . . ?
Pd10 N20 C133 C134 -175.1(9) . . . . ?
N20 C133 C134 C135 80.8(17) . . . . ?
N20 C133 C134 C136 -100.4(16) . . . . ?
C136 C134 C135 C137 2(3) . . . . ?
C133 C134 C135 C137 -178.8(14) . . . . ?
C135 C134 C136 C138 -1(2) . . . . ?
C133 C134 C136 C138 -179.5(13) . . . . ?
C134 C135 C137 C139 -2(3) . . . . ?
C134 C136 C138 C139 -1(2) . . . . ?
C136 C138 C139 C137 1(2) . . . . ?
C136 C138 C139 C140 -176.7(13) . . . . ?
C135 C137 C139 C138 1(2) . . . . ?
C135 C137 C139 C140 178.0(15) . . . . ?
C141 N21 C140 C139 -55(2) . . . . ?
Pd11 N21 C140 C139 78.4(15) . . . . ?
C138 C139 C140 N21 -100.6(16) . . . . ?
C137 C139 C140 N21 82.3(19) . . . . ?
C140 N21 C141 C146 119.1(17) . . . . ?
Pd11 N21 C141 C146 -16.6(19) . . . . ?
C140 N21 C141 C142 -61(2) . . . . ?
Pd11 N21 C141 C142 163.5(14) . . . . ?
C146 C141 C142 C143 -3(3) . . . . ?
N21 C141 C142 C143 176.8(16) . . . . ?
C141 C142 C143 C144 4(3) . . . . ?
C142 C143 C144 C145 -4(3) . . . . ?
C143 C144 C145 C146 3(3) . . . . ?
C147 N22 C146 C141 -107(2) . . . . ?
Pd11 N22 C146 C141 18(2) . . . . ?
C147 N22 C146 C145 69(2) . . . . ?
Pd11 N22 C146 C145 -166.0(14) . . . . ?
N21 C141 C146 N22 -2(3) . . . . ?
C142 C141 C146 N22 178.0(17) . . . . ?
N21 C141 C146 C145 -178.0(15) . . . . ?
C142 C141 C146 C145 2(3) . . . . ?
C144 C145 C146 N22 -178.0(17) . . . . ?
C144 C145 C146 C141 -2(3) . . . . ?
C146 N22 C147 C148 -165(2) . . . . ?
Pd11 N22 C147 C148 70(2) . . . . ?
N22 C147 C148 C149 64(3) . . . . ?
N22 C147 C148 C150 -106(3) . . . . ?
C147 C148 C149 C151 -175.7(14) . . . . ?
C150 C148 C149 C151 -5(2) . . . . ?
C147 C148 C150 C152 177.4(16) . . . . ?
C149 C148 C150 C152 6(2) . . . . ?
C148 C149 C151 C153 2(2) . . . . ?
C148 C150 C152 C153 -4(3) . . . . ?
C149 C151 C153 C152 0(3) . . . . ?
C149 C151 C153 C154 -178.8(12) . . . . ?
C150 C152 C153 C151 1(3) . . . . ?
C150 C152 C153 C154 179.7(14) . . . . ?
C155 N23 C154 C153 95(2) . . . . ?
Pd12 N23 C154 C153 -49(3) . . . . ?
C151 C153 C154 N23 86(2) . . . . ?
C152 C153 C154 N23 -93(2) . . . . ?
C154 N23 C155 C156 59(3) . . . . ?
Pd12 N23 C155 C156 -156.2(19) . . . . ?
C154 N23 C155 C160 -133.1(19) . . . . ?
Pd12 N23 C155 C160 11(2) . . . . ?
C160 C155 C156 C157 3(3) . . . . ?
N23 C155 C156 C157 169(3) . . . . ?
C155 C156 C157 C158 -4(3) . . . . ?
C156 C157 C158 C159 3(3) . . . . ?
C157 C158 C159 C160 -1(3) . . . . ?
C156 C155 C160 C159 -1(3) . . . . ?
N23 C155 C160 C159 -170(2) . . . . ?
C156 C155 C160 N24 175(2) . . . . ?
N23 C155 C160 N24 6(3) . . . . ?
C158 C159 C160 C155 0(3) . . . . ?
C158 C159 C160 N24 -176(2) . . . . ?
C161 N24 C160 C155 94(2) . . . . ?
Pd12 N24 C160 C155 -17(2) . . . . ?
C161 N24 C160 C159 -91(2) . . . . ?
Pd12 N24 C160 C159 158.4(15) . . . . ?
C160 N24 C161 C162 68(3) . . . . ?
Pd12 N24 C161 C162 176(2) . . . . ?
N24 C161 C162 C163 72(3) . . . . ?
N24 C161 C162 C164 -97(3) . . . . ?
C164 C162 C163 C165 -9(4) . . . . ?
C161 C162 C163 C165 -178.6(19) . . . . ?
C163 C162 C164 C166 7(3) . . . . ?
C161 C162 C164 C166 176.5(16) . . . . ?
C162 C163 C165 C167 6(3) . . . . ?
C162 C164 C166 C167 -1(3) . . . . ?
C164 C166 C167 C165 -2(3) . . . . ?
C164 C166 C167 C168 -179.5(14) . . . . ?
C163 C165 C167 C166 0(3) . . . . ?
C163 C165 C167 C168 177.7(16) . . . . ?
C127 N19 C168 C167 77.6(17) . . . . ?
Pd10 N19 C168 C167 -49.7(16) . . . . ?
C166 C167 C168 N19 -93.9(18) . . . . ?
C165 C167 C168 N19 88.3(19) . . . . ?
C6R C1R C2R C3R -1(4) . . . . ?
C7R C1R C2R C3R 177(3) . . . . ?
C1R C2R C3R C4R 6(5) . . . . ?
C1R C2R C3R Cl1R -177(2) . . . . ?
C2R C3R C4R C5R -8(5) . . . . ?
Cl1R C3R C4R C5R 175(2) . . . . ?
C3R C4R C5R C6R 6(5) . . . . ?
C4R C5R C6R C1R -1(5) . . . . ?
C2R C1R C6R C5R -2(4) . . . . ?
C7R C1R C6R C5R -179(3) . . . . ?
C6R C1R C7R O1R 67(4) . . . . ?
C2R C1R C7R O1R -110(3) . . . . ?
C6R C1R C7R C8R -54(4) . . . . ?
C2R C1R C7R C8R 129(3) . . . . ?
C14R C9R C10R C11R 1(3) . . . . ?
C9R C10R C11R C12R -1(3) . . . . ?
C9R C10R C11R C14Q -179(5) . . . . ?
C10R C11R C12R C13R 0(3) . . . . ?
C14Q C11R C12R C13R 179(4) . . . . ?
C11R C12R C13R C14R 0(3) . . . . ?
C12R C13R C14R C9R 0(3) . . . . ?
C10R C9R C14R C13R -1(3) . . . . ?
C22R C17R C18R C19R 0.3(15) . . . . ?
C23R C17R C18R C19R 179.9(8) . . . . ?
C17R C18R C19R C20R -0.2(15) . . . . ?
C17R C18R C19R Cl3R 179.8(7) . . . . ?
C18R C19R C20R C21R 0.0(15) . . . . ?
Cl3R C19R C20R C21R -179.9(6) . . . . ?
C19R C20R C21R C22R 0.0(12) . . . . ?
C18R C17R C22R C21R -0.3(15) . . . . ?
C23R C17R C22R C21R -179.9(7) . . . . ?
C20R C21R C22R C17R 0.1(12) . . . . ?
C22R C17R C23R O3R 156(6) . . . . ?
C18R C17R C23R O3R -24(6) . . . . ?
C6G C1G C2G O2G 178.9(16) . . . . ?
C7G C1G C2G O2G -7(2) . . . . ?
C6G C1G C2G C3G 0.0 . . . . ?
C7G C1G C2G C3G 174(2) . . . . ?
O2G C2G C3G C4G -178.9(16) . . . . ?
C1G C2G C3G C4G 0.0 . . . . ?
C2G C3G C4G C5G 0.0 . . . . ?
C3G C4G C5G C6G 0.0 . . . . ?
C4G C5G C6G C1G 0.0 . . . . ?
C2G C1G C6G C5G 0.0 . . . . ?
C7G C1G C6G C5G -174(2) . . . . ?
C2G C1G C7G O1G 11(4) . . . . ?
C6G C1G C7G O1G -175(3) . . . . ?
C2G C1G C7G C8G 178.7(19) . . . . ?
C6G C1G C7G C8G -7(3) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl14 . . . 3.277(10) 1.000(10) 2.339(3) 155.8(6) no
N2 H2N Cl20 . . . 3.243(11) 1.000(10) 2.381(4) 143.9(6) no
N3 H3N Cl15 . . 1_554 3.204(11) 1.000(10) 2.274(3) 154.2(6) no
N4 H4N N2S . . 1_554 2.983(17) 1.000(11) 2.123(14) 143.0(7) no
N5 H5N Cl16 . . 1_654 3.258(10) 1.000(10) 2.451(3) 137.4(6) no
N6 H6N Cl2 . . 1_655 3.132(10) 1.000(9) 2.167(3) 161.7(6) no
N9 H9N O1R^a . . 1_455 2.702 1.000(13) 1.789 150.1 no
N10 H10N Cl23 . . 2_546 3.146(17) 1.000(14) 2.262(10) 146.7(9) no
N11 H11N Cl22 . . 2_646 3.198(18) 1.000(16) 2.263(7) 154.9(10) no
N12 H12N O1W . . . 2.55(4) 1.000(19) 1.58(3) 163.4(15) no
N13 H13N Cl2 . . . 3.286(10) 1.000(10) 2.360(3) 153.8(6) no
N14 H14N Cl8 . . . 3.276(11) 1.000(9) 2.418(4) 143.4(6) no
N15 H15N Cl3 . . 1_556 3.235(11) 1.000(11) 2.280(3) 159.3(6) no
N16 H16N N1S . . 1_556 2.956(17) 1.000(11) 2.114(13) 140.5(7) no
N17 H17N Cl4 . . 1_456 3.280(11) 1.000(11) 2.487(3) 135.9(6) no
N18 H18N Cl14 . . 1_455 3.137(10) 1.000(10) 2.175(3) 160.9(8) no
N22 H22N Cl11 . . 2_656 3.200(18) 1.000(15) 2.272(8) 153.7(10) no
N24 H24N O2W . . . 3.06(4) 1.00(2) 2.07(4) 172.7(17) no
O3W^b H2R^a Cl1R^a . . . 2.626 1.380 2.666 73.3 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


