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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_citronellal@MMFinCHCl3
_database_code_depnum_ccdc_archive 'CCDC 2076032'
loop_
_audit_author_name
_audit_author_address
'Shohei Tashiro'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-04-08 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;
_audit_creation_date             2021-03-03
_audit_creation_method           
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'1.5(C42 H42 Cl6 N6 Pd3), 0.5(C42 H41 Cl6 N6 Pd3), 0.35(C10 H18 O), 2(O)'
_chemical_formula_sum            'C87.41 H89.64 Cl12 N12 O2.34 Pd6'
_chemical_formula_weight         2409.54
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNClPdO
_chemical_oxdiff_usercomment     10911
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   19.3108(2)
_cell_length_b                   52.2420(5)
_cell_length_c                   14.25460(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.3910(10)
_cell_angle_gamma                90
_cell_volume                     14368.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    52262
_cell_measurement_temperature    93
_cell_measurement_theta_max      72.7630
_cell_measurement_theta_min      3.3680
_shelx_estimated_absorpt_T_max   0.507
_shelx_estimated_absorpt_T_min   0.290
_exptl_absorpt_coefficient_mu    8.262
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4787
_exptl_crystal_size_max          0.199
_exptl_crystal_size_mid          0.154
_exptl_crystal_size_min          0.095
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_unetI/netI     0.0674
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       63
_diffrn_reflns_limit_k_min       -63
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            146415
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.534
_diffrn_reflns_theta_min         2.290
_diffrn_ambient_temperature      93.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -9.00  57.00   0.15    0.76    --    0.00  19.00-180.00  440
  2  ω     50.00  76.10   0.15    0.76    --    0.00  19.00   0.00  174
  3  ω    -14.00  68.05   0.15    0.76    --    0.00  38.00-120.00  547
  4  ω    -28.00  11.00   0.15    0.76    --    0.00 -57.00  30.00  260
  5  ω     -9.00  46.05   0.15    0.76    --    0.00  19.00   0.00  367
  6  ω     72.00 118.05   0.15    3.05    --   92.10  61.00   0.00  307
  7  ω     11.00 117.05   0.15    3.05    --   92.10 -77.00 150.00  707
  8  ω     92.00 126.05   0.15    3.05    --   92.10  30.00 -30.00  227
  9  ω    121.00 149.95   0.15    3.05    --   92.10  61.00 -30.00  193
 10  ω     73.00 100.00   0.15    3.05    --   92.10  61.00 -30.00  180
 11  ω      3.00 119.10   0.15    3.05    --   92.10 -82.00 -90.00  774
 12  ω     91.00 173.20   0.15    3.05    --   92.10  15.00 150.00  548
 13  ω    120.00 172.20   0.15    3.05    --   92.10  30.00-180.00  348
 14  ω     63.00  89.10   0.15    3.05    --   92.10 -45.00 -60.00  174
 15  ω      3.00  97.05   0.15    3.05    --   92.10 -15.00 -90.00  627
 16  ω     69.00 103.05   0.15    3.05    --   92.10  77.00   0.00  227
 17  ω    103.00 164.20   0.15    3.05    --   92.10  45.00  30.00  408
 18  ω     77.00 180.20   0.15    3.05    --   92.10  45.00   0.00  688
 19  ω     22.00 112.00   0.15    3.05    --   92.10 -61.00 -90.00  600
 20  ω     80.00 178.10   0.15    3.05    --   92.10  45.00  60.00  654
 21  ω     35.00  60.05   0.15    3.05    --   92.10 -30.00 -30.00  167
 22  ω      3.00 108.00   0.15    3.05    --   92.10 -61.00 150.00  700
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0824524000
_diffrn_orient_matrix_UB_12      -0.0189583000
_diffrn_orient_matrix_UB_13      0.0033419000
_diffrn_orient_matrix_UB_21      0.0095910000
_diffrn_orient_matrix_UB_22      -0.0063611000
_diffrn_orient_matrix_UB_23      -0.0772657000
_diffrn_orient_matrix_UB_31      0.0693871000
_diffrn_orient_matrix_UB_32      -0.0216740000
_diffrn_orient_matrix_UB_33      0.0197831000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.923
_reflns_Friedel_fraction_full    0.973
_reflns_Friedel_fraction_max     0.926
_reflns_number_gt                39642
_reflns_number_total             55235
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.188
_refine_diff_density_min         -2.320
_refine_diff_density_rms         0.207
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.183(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2034
_refine_ls_number_reflns         55235
_refine_ls_number_restraints     1126
_refine_ls_R_factor_all          0.1167
_refine_ls_R_factor_gt           0.0929
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2664
_refine_ls_wR_factor_ref         0.2924
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.817(15)
 0.183(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C161-N24
 1.5 with sigma of 0.02
 C98-N15
 1.5 with sigma of 0.02
 C95-C98
 1.4 with sigma of 0.02
 C133-N20
 1.5 with sigma of 0.02
 O1G-C1G
 1.1 with sigma of 0.02
 C1G-C2G
 1.56 with sigma of 0.02
 C2G-C3G
 1.56 with sigma of 0.02
 C3G-C5G
 1.56 with sigma of 0.02
 C5G-C6G
 1.56 with sigma of 0.02
 C6G-C7G
 1.56 with sigma of 0.02
 C8G-C7G
 1.4 with sigma of 0.02
 C3G-C4G
 1.56 with sigma of 0.02
 C8G-C10G
 1.4 with sigma of 0.02
 C8G-C9G
 1.4 with sigma of 0.02
 C162-C161
 1.4 with sigma of 0.02
 C168-C165
 1.4 with sigma of 0.01
 N20-C132
 1.5 with sigma of 0.02
 C132-C127
 1.4 with sigma of 0.02
 C127-N19
 1.5 with sigma of 0.02
 N19-N20
 2.75 with sigma of 0.02
 Pd8-N15
 2 with sigma of 0.02
 C140-N21
 1.5 with sigma of 0.01
 Pd8-N16
 2 with sigma of 0.02
 C98-C99
 2.7 with sigma of 0.02
 N15-C104
 2.7 with sigma of 0.02
 N15-C99
 1.5 with sigma of 0.02
 C99-C104
 1.4 with sigma of 0.02
 Pd8-C99
 2.8 with sigma of 0.02
 Pd8-C104
 2.8 with sigma of 0.02
 N16-C99
 2.7 with sigma of 0.02
 C104-N16
 1.5 with sigma of 0.02
 C146-N22
 1.5 with sigma of 0.02
 N21-C141
 1.5 with sigma of 0.02
 C112-N17
 1.5 with sigma of 0.02
 N16-C105
 1.5 with sigma of 0.02
 C105-C104
 2.7 with sigma of 0.02
 C106-C105
 1.5 with sigma of 0.02
 Pd10-C132
 2.8 with sigma of 0.02
 Pd10-C127
 2.8 with sigma of 0.02
 Pd10-N19
 2.05 with sigma of 0.02
 Pd10-N20
 2.05 with sigma of 0.02
 C118-N18
 1.5 with sigma of 0.02
 Pd9-C113
 2.8 with sigma of 0.02
 Pd9-C118
 2.8 with sigma of 0.02
 C113-N17
 1.5 with sigma of 0.02
 C137-C140
 1.4 with sigma of 0.02
 C94-C98 \\sim C98-C96
 with sigma of 0.01
 C135-C133 \\sim C133-C139
 with sigma of 0.02
 C135-N20 \\sim N20-C139
 with sigma of 0.02
4. Restrained planarity
 C133, C134, C139, C135
 with sigma of 0.1
 C140, C137, C138, C136
 with sigma of 0.1
5. Rigid bond restraints
 N20, N19
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
6. Uiso/Uaniso restraints and constraints
N20 \\sim C133: within 1.7A with sigma of 0.02 and sigma for terminal atoms of
0.04
Cl16 \\sim Cl15: within 1.7A with sigma of 0.02 and sigma for terminal atoms of
0.04
C130 \\sim C129 \\sim C128 \\sim C127 \\sim C132 \\sim C131 \\sim N20 \\sim
N19: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
N16 \\sim N15: within 1.7A with sigma of 0.02 and sigma for terminal atoms of
0.04
Pd8 \\sim Cl16 \\sim Cl15 \\sim N16 \\sim N15: within 1.7A with sigma of 0.02
and sigma for terminal atoms of 0.04
C99 \\sim C104 \\sim C103 \\sim C102 \\sim C101 \\sim C100 \\sim N16: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
C109 \\sim C108 \\sim C107 \\sim C106 \\sim C111 \\sim C110 \\sim C112 \\sim
C105: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl19 \\sim Pd10 \\sim Cl20 \\sim N20 \\sim N19: within 1.7A with sigma of 0.02
and sigma for terminal atoms of 0.04
C113 \\sim C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118: within 1.7A with
sigma of 0.02 and sigma for terminal atoms of 0.04
C134 \\sim C139 \\sim C138 \\sim C137 \\sim C136 \\sim C135 \\sim C140: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C98) \\sim Ueq, Uanis(C95) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(N20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl16) \\sim Ueq, Uanis(Cl15) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(Cl16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl19) \\sim Ueq, Uanis(Cl20) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(Cl20) \\sim Ueq, Uanis(Cl19) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N19) \\sim Ueq, Uanis(N20) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(N21) \\sim Ueq, Uanis(N22) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(N16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C100)
\\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C125) \\sim Ueq: with sigma of 0.05 and
sigma for terminal atoms of 0.1
Uanis(C141) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(C113) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
7. Rigid body (RIGU) restrains
 C97, C96, C95, C94, C93, C92
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C62, C57, C58, C59, C60, C61
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C16, C17, C18, C19, C20, C15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl19, Cl20
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 Cl16, Cl15
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Cl20, Cl19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C8G, C7G, C6G
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C2G, O1G, C1G, C3G, C4G, C5G, C6G, C7G, C8G, C10G, C9G
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C43, C48, C47, C46, C45, C44
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C164, C163, C162, C167, C165, C166, C168
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C131, C132, C127, C128, C129, C130
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C6, C1, C2, C3, C4, C5
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 N20, C132, C127, N19, C168
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 Pd8, N15, N16, Cl15, Cl16
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C104, C99, C100, C101, C102, C103
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C11, C12, C13, C8, C9, C10
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C146, C141, C142, C143, C144, C145
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 N21, C141, C146, N22, C140
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 N16, N15, C99, C104, C105
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C109, C110, C111, C106, C107, C108, C112, C105
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Cl20, Cl19, Pd10, N20, N19
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C113, C118, C116, C117, C115, C114, N17, C118, N18, Pd9, C112
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C139, C134, C135, C136, C137, C138, C133, C140
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
8. Others
 Sof(O1G)=Sof(C3G)=Sof(H3G)=Sof(C1G)=Sof(H1G)=Sof(C2G)=Sof(H2GA)=Sof(H2GB)=
 Sof(C4G)=Sof(H4GA)=Sof(H4GB)=Sof(H4GC)=Sof(C6G)=Sof(H6GA)=Sof(H6GB)=Sof(C5G)=
 Sof(H5GA)=Sof(H5GB)=Sof(C7G)=Sof(H7G)=Sof(C10G)=Sof(H10D)=Sof(H10E)=Sof(H10F)=
 Sof(C8G)=Sof(C9G)=Sof(H9GA)=Sof(H9GB)=Sof(H9GC)=FVAR(1)
 Fixed Sof: H114(0.5) H17A(0.5)
9.a Ternary CH refined with riding coordinates:
 N11(H11), N12(H12), N10(H10), N4(H4), N13(H13A), N6(H6), N9(H9), N24(H24A),
 N7(H7), N1(H1), N14(H14), N23(H23A), N2(H2), N3(H3), N5(H5), N22(H22),
 N18(H18A), N8(H8), N21(H21), N15(H15), N16(H16A), N20(H20), N19(H19A),
 N17(H17A), C3G(H3G)
9.b Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B), C56(H56A,H56B), C147(H14C,H14D), C35(H35A,H35B), C70(H70A,
 H70B), C84(H84A,H84B), C77(H77A,H77B), C21(H21A,H21B), C154(H15A,H15B),
 C91(H91A,H91B), C28(H28A,H28B), C14(H14A,H14B), C161(H16B,H16C), C42(H42A,
 H42B), C126(H12B,H12C), C119(H11A,H11B), C7(H7A,H7B), C140(H14E,H14F),
 C49(H49A,H49B), C112(H11C,H11D), C98(H98A,H98B), C168(H16D,H16E), C105(H10B,
 H10C), C133(H13B,H13C), C2G(H2GA,H2GB), C6G(H6GA,H6GB), C5G(H5GA,H5GB)
9.c Aromatic/amide H refined with riding coordinates:
 C30(H30), C125(H125), C124(H124), C122(H122), C121(H121), C79(H79), C41(H41),
 C37(H37), C65(H65), C24(H24), C156(H156), C157(H157), C158(H158), C159(H159),
 C150(H150), C149(H149), C153(H153), C152(H152), C61(H61), C27(H27), C69(H69),
 C31(H31), C51(H51), C23(H23), C82(H82), C88(H88), C38(H38), C47(H47), C44(H44),
  C86(H86), C32(H32), C72(H72), C58(H58), C80(H80), C87(H87), C142(H142),
 C143(H143), C144(H144), C145(H145), C40(H40), C55(H55), C33(H33), C89(H89),
 C73(H73), C52(H52), C68(H68), C10(H10A), C9(H9A), C13(H13), C12(H12A),
 C59(H59), C74(H74), C60(H60), C3(H3A), C26(H26), C46(H46), C66(H66), C2(H2A),
 C83(H83), C97(H97), C96(H96), C94(H94), C93(H93), C4(H4A), C166(H166),
 C164(H164), C163(H163), C167(H167), C5(H5A), C75(H75), C54(H54), C17(H17),
 C18(H18), C19(H19), C16(H16), C45(H45), C117(H117), C116(H116), C115(H115),
 C114(H114), C139(H139), C135(H135), C136(H136), C138(H138), C108(H108),
 C107(H107), C111(H111), C110(H110), C131(H131), C130(H130), C129(H129),
 C128(H128), C103(H103), C102(H102), C101(H101), C100(H100), C1G(H1G), C7G(H7G)
9.d Fitted hexagon refined as free rotating group:
 C120(C125,C124,C123,C122,C121), C160(C155,C156,C157,C158,C159), C151(C150,
 C149,C148,C153,C152), C146(C141,C142,C143,C144,C145), C11(C10,C9,C8,C13,C12),
 C97(C96,C95,C94,C93,C92), C166(C165,C164,C163,C162,C167), C17(C18,C19,C20,C15,
 C16), C113(C118,C117,C116,C115,C114), C139(C134,C135,C136,C137,C138),
 C109(C108,C107,C106,C111,C110), C127(C132,C131,C130,C129,C128), C104(C103,C102,
 C101,C100,C99)
9.e Idealised Me refined with riding coordinates:
 C4G(H4GA,H4GB,H4GC), C10G(H10D,H10E,H10F), C9G(H9GA,H9GB,H9GC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd6 Pd 0.58824(5) 0.33809(2) 0.76339(7) 0.0522(3) Uani 1 1 d . . . . .
Pd3 Pd 1.42380(5) 0.31574(2) 0.73847(7) 0.0522(3) Uani 1 1 d . . . . .
Pd1 Pd 1.28805(6) 0.34798(3) 1.34321(8) 0.0625(3) Uani 1 1 d . . . . .
Pd7 Pd 0.43678(7) 0.40334(3) 1.02577(9) 0.0680(3) Uani 1 1 d . . . . .
Pd4 Pd 1.04336(6) 0.34143(3) 0.58489(9) 0.0699(4) Uani 1 1 d . . . A 1
Pd2 Pd 0.96913(6) 0.31205(3) 0.91817(9) 0.0691(4) Uani 1 1 d . . . B 1
Pd12 Pd 0.42449(7) 0.75071(3) 0.52436(9) 0.0681(3) Uani 1 1 d . . . . .
Pd5 Pd 0.72411(6) 0.30604(3) 0.15825(8) 0.0641(3) Uani 1 1 d . . . . .
Pd9 Pd 0.19834(10) 0.48828(3) 0.49491(18) 0.1061(6) Uani 1 1 d D U . . .
Pd11 Pd 0.19071(12) 0.66467(4) -0.00687(19) 0.1126(7) Uani 1 1 d . . . . .
Pd10 Pd 0.3425(3) 0.58122(6) 0.4763(4) 0.227(2) Uani 1 1 d D U . . .
Pd8 Pd 0.3396(3) 0.57363(6) 0.9714(3) 0.220(2) Uani 1 1 d D U . . .
Cl6 Cl 1.4245(2) 0.35940(8) 0.7605(3) 0.0593(9) Uani 1 1 d . . . . .
Cl12 Cl 0.5844(2) 0.33462(9) 0.9241(2) 0.0658(10) Uani 1 1 d . . . . .
Cl13 Cl 0.5326(2) 0.41131(10) 0.9399(3) 0.0728(11) Uani 1 1 d . . . . .
Cl11 Cl 0.5875(2) 0.29413(8) 0.7404(3) 0.0609(9) Uani 1 1 d . . . . .
Cl9 Cl 0.8019(2) 0.27439(11) 0.2000(4) 0.0811(13) Uani 1 1 d . . . . .
Cl5 Cl 1.4277(2) 0.31938(10) 0.5777(3) 0.0678(11) Uani 1 1 d . . . . .
Cl4 Cl 1.0025(2) 0.35202(10) 0.8706(3) 0.0752(11) Uani 1 1 d . . . . .
Cl24 Cl 0.4863(3) 0.75288(12) 0.6645(3) 0.0860(14) Uani 1 1 d . . . . .
Cl1 Cl 1.3738(3) 0.37710(10) 1.3754(4) 0.0821(13) Uani 1 1 d . . . . .
Cl7 Cl 1.0113(3) 0.30138(11) 0.6324(3) 0.0796(12) Uani 1 1 d . . . . .
Cl23 Cl 0.5205(2) 0.74245(9) 0.4397(3) 0.0698(11) Uani 1 1 d . . . . .
Cl8 Cl 1.1379(2) 0.32484(11) 0.5104(3) 0.0801(13) Uani 1 1 d . . . . .
Cl14 Cl 0.4991(3) 0.40166(12) 1.1665(3) 0.0843(13) Uani 1 1 d . . . . .
Cl3 Cl 0.8750(2) 0.32855(11) 0.9923(3) 0.0802(13) Uani 1 1 d . . . . .
Cl2 Cl 1.2097(2) 0.37950(10) 1.2998(3) 0.0757(12) Uani 1 1 d . . . . .
Cl10 Cl 0.6385(3) 0.27681(12) 0.1231(4) 0.0872(14) Uani 1 1 d . . . . .
Cl22 Cl 0.0822(4) 0.67844(18) -0.0418(8) 0.147(3) Uani 1 1 d . . . . .
Cl17 Cl 0.1573(5) 0.52803(15) 0.5333(10) 0.175(5) Uani 1 1 d . . . . .
Cl18 Cl 0.0894(4) 0.47342(17) 0.4588(8) 0.154(4) Uani 1 1 d . . . . .
N11 N 0.5799(6) 0.3446(3) 0.6224(8) 0.054(3) Uani 1 1 d . . . . .
H11 H 0.541276 0.333616 0.596004 0.065 Uiso 1 1 calc R . . . .
C6 C 1.2418(8) 0.2949(4) 1.3575(9) 0.064(3) Uani 1 1 d . U . . .
N12 N 0.5922(6) 0.3776(2) 0.7764(9) 0.053(3) Uani 1 1 d . . . . .
H12 H 0.556904 0.382870 0.821971 0.064 Uiso 1 1 calc R . . . .
C64 C 0.6091(7) 0.3400(4) 0.2731(9) 0.060(4) Uani 1 1 d . . . . .
N10 N 0.6623(6) 0.3380(3) 0.1180(8) 0.065(4) Uani 1 1 d . . . . .
H10 H 0.647843 0.334557 0.050956 0.078 Uiso 1 1 calc R . . . .
N4 N 1.0499(8) 0.2952(4) 0.8476(11) 0.080(5) Uani 1 1 d . . . . .
H4 H 1.048606 0.301715 0.781610 0.097 Uiso 1 1 calc R . . B .
C30 C 1.4541(10) 0.2396(4) 0.8265(13) 0.070(5) Uani 1 1 d . . . . .
H30 H 1.443709 0.227759 0.777406 0.084 Uiso 1 1 calc R . . . .
C120 C 0.2634(6) 0.4302(2) 0.5925(7) 0.072(5) Uani 1 1 d . . . . .
C125 C 0.2292(5) 0.4390(2) 0.6700(9) 0.075(5) Uani 1 1 d G U . . .
H125 H 0.182685 0.444887 0.662811 0.090 Uiso 1 1 calc R . . . .
C124 C 0.2629(6) 0.4393(2) 0.7581(8) 0.078(5) Uani 1 1 d G . . . .
H124 H 0.239539 0.445336 0.811018 0.094 Uiso 1 1 calc R . . . .
C123 C 0.3309(6) 0.4307(2) 0.7686(6) 0.060(4) Uani 1 1 d G . . . .
C122 C 0.3652(4) 0.4218(3) 0.6911(8) 0.078(5) Uani 1 1 d G . . . .
H122 H 0.411635 0.415947 0.698342 0.093 Uiso 1 1 calc R . . . .
C121 C 0.3314(6) 0.4216(3) 0.6031(6) 0.080(5) Uani 1 1 d G . . . .
H121 H 0.354782 0.415498 0.550134 0.096 Uiso 1 1 calc R . . . .
N13 N 0.3748(7) 0.4041(3) 0.9048(9) 0.065(4) Uani 1 1 d . . . . .
H13A H 0.397208 0.392762 0.858453 0.078 Uiso 1 1 calc R . . . .
N6 N 1.4321(6) 0.3087(3) 0.8814(7) 0.054(3) Uani 1 1 d . . . . .
H6 H 1.470641 0.319695 0.907686 0.065 Uiso 1 1 calc R . . . .
C79 C 0.7571(8) 0.3566(3) 0.7872(10) 0.054(3) Uani 1 1 d . . . . .
H79 H 0.743996 0.348346 0.843170 0.065 Uiso 1 1 calc R . . . .
C41 C 1.4084(9) 0.3368(5) 1.0769(11) 0.074(5) Uani 1 1 d . . . . .
H41 H 1.422901 0.350958 1.041071 0.089 Uiso 1 1 calc R . . . .
C37 C 1.3599(8) 0.2942(3) 1.0836(11) 0.060(4) Uani 1 1 d . . . . .
H37 H 1.338021 0.280182 1.051737 0.072 Uiso 1 1 calc R . . . .
N9 N 0.7953(7) 0.3344(3) 0.1905(10) 0.071(4) Uani 1 1 d . . . . .
H9 H 0.840155 0.329456 0.162929 0.085 Uiso 1 1 calc R . . . .
C65 C 0.5917(9) 0.3182(4) 0.3258(10) 0.065(4) Uani 1 1 d . . . . .
H65 H 0.571453 0.303690 0.295317 0.078 Uiso 1 1 calc R . . . .
C24 C 1.2712(8) 0.2635(4) 0.8238(12) 0.068(4) Uani 1 1 d . . . . .
H24 H 1.294660 0.248383 0.843991 0.081 Uiso 1 1 calc R . . . .
C22 C 1.1827(10) 0.2939(4) 0.8485(13) 0.076(5) Uani 1 1 d . . . . .
N24 N 0.3319(8) 0.7557(3) 0.5884(9) 0.072(4) Uani 1 1 d D . . . .
H24A H 0.338693 0.770510 0.632302 0.086 Uiso 1 1 calc R . . . .
N7 N 0.9607(7) 0.3580(3) 0.6501(10) 0.066(4) Uani 1 1 d . . . . .
H7 H 0.961034 0.351163 0.715672 0.079 Uiso 1 1 calc R . . A .
C29 C 1.4415(8) 0.2650(3) 0.8175(11) 0.059(4) Uani 1 1 d . . . . .
C1 C 1.3087(9) 0.2934(4) 1.3868(11) 0.064(3) Uani 1 1 d . U . . .
C160 C 0.2781(6) 0.7632(3) 0.5203(6) 0.076(5) Uani 1 1 d . . . . .
C155 C 0.2958(5) 0.7619(2) 0.4269(7) 0.067(4) Uani 1 1 d G . . . .
C156 C 0.2499(6) 0.7708(2) 0.3566(6) 0.063(4) Uani 1 1 d G . . . .
H156 H 0.262016 0.769892 0.292724 0.075 Uiso 1 1 calc R . . . .
C157 C 0.1864(5) 0.7811(3) 0.3796(7) 0.068(4) Uani 1 1 d G . . . .
H157 H 0.155120 0.787148 0.331559 0.082 Uiso 1 1 calc R . . . .
C158 C 0.1688(5) 0.7824(3) 0.4730(8) 0.093(7) Uani 1 1 d G . . . .
H158 H 0.125387 0.789385 0.488815 0.112 Uiso 1 1 calc R . . . .
C159 C 0.2146(7) 0.7735(3) 0.5434(6) 0.091(6) Uani 1 1 d G . . . .
H159 H 0.202549 0.774366 0.607236 0.109 Uiso 1 1 calc R . . . .
C151 C 0.3186(6) 0.7228(2) 0.2665(6) 0.066(4) Uani 1 1 d . . . . .
C150 C 0.2504(6) 0.7145(2) 0.2559(7) 0.079(5) Uani 1 1 d G . . . .
H150 H 0.226614 0.708796 0.309064 0.094 Uiso 1 1 calc R . . . .
C149 C 0.2171(5) 0.7143(3) 0.1676(9) 0.085(6) Uani 1 1 d G . . . .
H149 H 0.170527 0.708600 0.160347 0.102 Uiso 1 1 calc R . . . .
C148 C 0.2520(6) 0.7226(2) 0.0898(7) 0.067(4) Uani 1 1 d G . . . .
C153 C 0.3202(6) 0.7310(2) 0.1003(6) 0.081(6) Uani 1 1 d G . . . .
H153 H 0.344020 0.736655 0.047161 0.098 Uiso 1 1 calc R . . . .
C152 C 0.3535(5) 0.7311(2) 0.1887(7) 0.072(5) Uani 1 1 d G . . . .
H152 H 0.400108 0.736852 0.195878 0.087 Uiso 1 1 calc R . . . .
N1 N 1.3498(6) 0.3188(3) 1.3834(9) 0.056(3) Uani 1 1 d . . . . .
H1 H 1.365525 0.322501 1.449739 0.067 Uiso 1 1 calc R . . . .
N14 N 0.3468(8) 0.3968(4) 1.0977(11) 0.079(4) Uani 1 1 d . . . . .
H14 H 0.354393 0.381894 1.140933 0.094 Uiso 1 1 calc R . . . .
C63 C 0.5956(8) 0.3399(4) 0.1670(11) 0.065(4) Uani 1 1 d . . . . .
H63A H 0.565578 0.325201 0.148837 0.078 Uiso 1 1 calc R . . . .
H63B H 0.571209 0.355808 0.147588 0.078 Uiso 1 1 calc R . . . .
N23 N 0.3619(8) 0.7512(3) 0.4032(9) 0.066(4) Uani 1 1 d . . . . .
H23A H 0.383440 0.762665 0.356403 0.079 Uiso 1 1 calc R . . . .
N2 N 1.2157(6) 0.3201(3) 1.3125(8) 0.061(3) Uani 1 1 d . . . . .
H2 H 1.171088 0.324986 1.340815 0.073 Uiso 1 1 calc R . . . .
C56 C 0.8068(9) 0.3359(5) 0.2930(13) 0.085(6) Uani 1 1 d . . . . .
H56A H 0.807116 0.318180 0.318084 0.102 Uiso 1 1 calc R . . . .
H56B H 0.766790 0.344807 0.319206 0.102 Uiso 1 1 calc R . . . .
N3 N 0.9471(8) 0.2755(3) 0.9579(9) 0.072(4) Uani 1 1 d . . . . .
H3 H 0.898441 0.271871 0.934909 0.086 Uiso 1 1 calc R . . B .
C36 C 1.3766(7) 0.3159(3) 1.0336(10) 0.055(3) Uani 1 1 d . . . . .
C147 C 0.2134(12) 0.7221(4) -0.0086(17) 0.087(6) Uani 1 1 d . . . . .
H14C H 0.163054 0.724560 -0.001058 0.105 Uiso 1 1 calc R . . . .
H14D H 0.230227 0.736300 -0.047552 0.105 Uiso 1 1 calc R . . . .
C61 C 0.6762(11) 0.3818(4) 0.0795(12) 0.074(4) Uani 1 1 d . U . . .
H61 H 0.627737 0.383468 0.067116 0.088 Uiso 1 1 calc R . . . .
N5 N 1.4177(7) 0.2765(3) 0.7290(8) 0.062(4) Uani 1 1 d . . . . .
H5 H 1.453057 0.271527 0.683028 0.075 Uiso 1 1 calc R . . . .
C27 C 1.1976(8) 0.3051(4) 0.7655(11) 0.064(4) Uani 1 1 d . . . . .
H27 H 1.168772 0.318646 0.742511 0.077 Uiso 1 1 calc R . . . .
C71 C 0.5589(7) 0.3718(3) 0.6090(10) 0.052(3) Uani 1 1 d . . . . .
C69 C 0.6377(8) 0.3596(3) 0.3222(10) 0.060(4) Uani 1 1 d . . . . .
H69 H 0.647995 0.374780 0.289103 0.072 Uiso 1 1 calc R . . . .
C35 C 1.3663(8) 0.3171(4) 0.9281(9) 0.061(4) Uani 1 1 d . . . . .
H35A H 1.354448 0.334843 0.908712 0.074 Uiso 1 1 calc R . . . .
H35B H 1.327404 0.305824 0.907599 0.074 Uiso 1 1 calc R . . . .
C31 C 1.4837(10) 0.2321(5) 0.9140(15) 0.081(6) Uani 1 1 d . . . . .
H31 H 1.493124 0.214465 0.923345 0.098 Uiso 1 1 calc R . . . .
C78 C 0.7212(8) 0.3776(4) 0.7583(11) 0.060(4) Uani 1 1 d . . . . .
C51 C 0.9323(10) 0.3866(4) 0.3877(13) 0.079(5) Uani 1 1 d . . . . .
H51 H 0.932607 0.404154 0.405368 0.094 Uiso 1 1 calc R . . . .
C23 C 1.2178(8) 0.2729(3) 0.8754(11) 0.062(4) Uani 1 1 d . . . . .
H23 H 1.205668 0.264228 0.930995 0.075 Uiso 1 1 calc R . . . .
C25 C 1.2907(8) 0.2754(3) 0.7457(10) 0.055(3) Uani 1 1 d . . . . .
C82 C 0.7951(8) 0.3804(4) 0.6249(12) 0.069(5) Uani 1 1 d . . . . .
H82 H 0.808380 0.388724 0.569149 0.083 Uiso 1 1 calc R . . . .
C50 C 0.9934(10) 0.3724(5) 0.3958(13) 0.083(6) Uani 1 1 d . . . . .
C70 C 0.6449(7) 0.3376(4) 0.5721(10) 0.055(3) Uani 1 1 d . . . . .
H70A H 0.682220 0.349765 0.590797 0.066 Uiso 1 1 calc R . . . .
H70B H 0.660197 0.320255 0.592244 0.066 Uiso 1 1 calc R . . . .
N22 N 0.2252(9) 0.6976(3) -0.0557(15) 0.094(5) Uani 1 1 d D U . . .
H22 H 0.201928 0.699468 -0.119307 0.113 Uiso 1 1 calc R . . . .
N18 N 0.2360(8) 0.4548(3) 0.4458(12) 0.083(4) Uani 1 1 d D U . . .
H18A H 0.211997 0.452100 0.383027 0.100 Uiso 1 1 calc R . . . .
C88 C 0.1823(11) 0.3713(4) 0.9770(18) 0.092(7) Uani 1 1 d . . . . .
H88 H 0.137866 0.365254 0.992690 0.110 Uiso 1 1 calc R . . . .
C67 C 0.6346(8) 0.3379(3) 0.4671(11) 0.062(4) Uani 1 1 d . . . . .
C38 C 1.3749(9) 0.2925(4) 1.1809(9) 0.068(5) Uani 1 1 d . . . . .
H38 H 1.366782 0.277140 1.214514 0.082 Uiso 1 1 calc R . . . .
C85 C 0.3086(9) 0.3916(3) 0.9287(10) 0.058(4) Uani 1 1 d . . . . .
C84 C 0.8953(8) 0.3515(4) 0.6062(11) 0.061(4) Uani 1 1 d . . . . .
H84A H 0.893861 0.332651 0.598282 0.073 Uiso 1 1 calc R . . . .
H84B H 0.893332 0.359084 0.542534 0.073 Uiso 1 1 calc R . . . .
C47 C 1.0330(13) 0.4223(5) 0.6004(16) 0.097(6) Uani 1 1 d . U . . .
H47 H 1.068953 0.428766 0.563657 0.116 Uiso 1 1 calc R . . . .
C44 C 0.9408(10) 0.4016(4) 0.7220(13) 0.086(5) Uani 1 1 d . U . . .
H44 H 0.913501 0.394209 0.768744 0.103 Uiso 1 1 calc R . . . .
C86 C 0.2625(9) 0.3808(3) 0.8577(14) 0.077(5) Uani 1 1 d . . . . .
H86 H 0.274174 0.380380 0.793610 0.093 Uiso 1 1 calc R . . . .
C77 C 0.6604(9) 0.3861(3) 0.8133(11) 0.062(4) Uani 1 1 d . . . . .
H77A H 0.667159 0.379849 0.878560 0.074 Uiso 1 1 calc R . . . .
H77B H 0.660474 0.405084 0.815670 0.074 Uiso 1 1 calc R . . . .
C32 C 1.4996(10) 0.2482(4) 0.9854(14) 0.076(5) Uani 1 1 d . . . . .
H32 H 1.519451 0.241909 1.043036 0.091 Uiso 1 1 calc R . . . .
C21 C 1.1181(8) 0.3045(4) 0.8983(12) 0.074(5) Uani 1 1 d . . . . .
H21A H 1.119413 0.298603 0.964362 0.089 Uiso 1 1 calc R . . . .
H21B H 1.119305 0.323427 0.898321 0.089 Uiso 1 1 calc R . . . .
C43 C 0.9765(10) 0.3852(4) 0.6563(13) 0.074(4) Uani 1 1 d . U . . .
C154 C 0.3587(10) 0.7238(4) 0.3632(11) 0.066(4) Uani 1 1 d . . . . .
H15A H 0.335554 0.712435 0.407854 0.079 Uiso 1 1 calc R . . . .
H15B H 0.406405 0.717328 0.356159 0.079 Uiso 1 1 calc R . . . .
C34 C 1.4538(8) 0.2829(4) 0.8926(11) 0.060(4) Uani 1 1 d . . . . .
C72 C 0.5249(8) 0.3801(3) 0.5254(10) 0.057(4) Uani 1 1 d . . . . .
H72 H 0.510426 0.368101 0.478467 0.069 Uiso 1 1 calc R . . . .
C58 C 0.8183(10) 0.3782(4) 0.1322(11) 0.078(4) Uani 1 1 d . U . . .
H58 H 0.866002 0.376318 0.149884 0.093 Uiso 1 1 calc R . . . .
C80 C 0.8132(8) 0.3461(3) 0.7387(12) 0.061(4) Uani 1 1 d . . . . .
H80 H 0.837884 0.331340 0.760189 0.074 Uiso 1 1 calc R . . . .
C53 C 0.8726(9) 0.3491(4) 0.3294(12) 0.076(5) Uani 1 1 d . . . . .
C87 C 0.2003(11) 0.3711(4) 0.8865(17) 0.084(6) Uani 1 1 d . . . . .
H87 H 0.168763 0.364060 0.840573 0.101 Uiso 1 1 calc R . . . .
C91 C 0.3257(11) 0.4197(5) 1.1536(12) 0.087(6) Uani 1 1 d . . . . .
H91A H 0.356817 0.420768 1.210510 0.105 Uiso 1 1 calc R . . . .
H91B H 0.278211 0.416687 1.174778 0.105 Uiso 1 1 calc R . . . .
C81 C 0.8299(8) 0.3595(4) 0.6548(10) 0.063(4) Uani 1 1 d . . . . .
C146 C 0.2972(5) 0.6943(2) -0.0731(8) 0.085(4) Uani 1 1 d D U . . .
C141 C 0.3299(6) 0.67315(19) -0.0318(8) 0.058(3) Uani 1 1 d DG U . . .
C142 C 0.3997(6) 0.6687(2) -0.0456(10) 0.093(6) Uani 1 1 d G U . . .
H142 H 0.421985 0.654208 -0.017379 0.111 Uiso 1 1 calc R . . . .
C143 C 0.4368(5) 0.6853(3) -0.1007(10) 0.097(5) Uani 1 1 d G U . . .
H143 H 0.484455 0.682212 -0.110101 0.116 Uiso 1 1 calc R . . . .
C144 C 0.4041(7) 0.7064(2) -0.1419(8) 0.093(5) Uani 1 1 d G U . . .
H144 H 0.429445 0.717786 -0.179585 0.112 Uiso 1 1 calc R . . . .
C145 C 0.3343(7) 0.7109(2) -0.1281(8) 0.090(4) Uani 1 1 d G U . . .
H145 H 0.311964 0.725356 -0.156349 0.107 Uiso 1 1 calc R . . . .
C40 C 1.4190(8) 0.3365(4) 1.1776(11) 0.060(4) Uani 1 1 d . . . . .
H40 H 1.436990 0.351220 1.208993 0.072 Uiso 1 1 calc R . . . .
N8 N 1.0643(8) 0.3791(3) 0.5483(12) 0.077(4) Uani 1 1 d . . . . .
H8 H 1.113098 0.382748 0.570519 0.093 Uiso 1 1 calc R . . A .
C55 C 0.9919(9) 0.3480(5) 0.3669(11) 0.080(6) Uani 1 1 d . . . . .
H55 H 1.034425 0.338839 0.368239 0.096 Uiso 1 1 calc R . . . .
C33 C 1.4871(8) 0.2730(4) 0.9739(12) 0.075(5) Uani 1 1 d . . . . .
H33 H 1.501391 0.284550 1.022597 0.090 Uiso 1 1 calc R . . . .
C89 C 0.2271(10) 0.3800(4) 1.0461(10) 0.076(5) Uani 1 1 d . . . . .
H89 H 0.214992 0.379835 1.110069 0.092 Uiso 1 1 calc R . . . .
C28 C 1.3492(9) 0.2649(4) 0.6899(12) 0.068(4) Uani 1 1 d . . . . .
H28A H 1.341853 0.269489 0.622826 0.081 Uiso 1 1 calc R . . . .
H28B H 1.350723 0.246042 0.695141 0.081 Uiso 1 1 calc R . . . .
C73 C 0.5130(9) 0.4059(4) 0.5126(13) 0.071(5) Uani 1 1 d . . . . .
H73 H 0.494236 0.411982 0.454053 0.085 Uiso 1 1 calc R . . . .
C52 C 0.8715(10) 0.3754(4) 0.3542(12) 0.082(5) Uani 1 1 d . . . . .
H52 H 0.829901 0.385023 0.347890 0.098 Uiso 1 1 calc R . . . .
C68 C 0.6529(8) 0.3590(4) 0.4165(10) 0.062(4) Uani 1 1 d . . . . .
H68 H 0.675885 0.372983 0.446747 0.075 Uiso 1 1 calc R . . . .
C62 C 0.7037(8) 0.3580(4) 0.1140(8) 0.061(3) Uani 1 1 d . U . . .
C14 C 0.9500(9) 0.2706(4) 1.0604(11) 0.068(4) Uani 1 1 d . . . . .
H14A H 0.947589 0.251998 1.072385 0.082 Uiso 1 1 calc R . . . .
H14B H 0.909928 0.278869 1.089235 0.082 Uiso 1 1 calc R . . . .
C57 C 0.7695(8) 0.3591(4) 0.1406(10) 0.063(3) Uani 1 1 d . U . . .
C76 C 0.5704(8) 0.3876(4) 0.6837(11) 0.062(4) Uani 1 1 d . . . . .
C11 C 1.0192(5) 0.2817(2) 1.1057(8) 0.073(4) Uani 1 1 d . U . . .
C10 C 1.0806(6) 0.26777(19) 1.1096(8) 0.081(4) Uani 1 1 d G U . . .
H10A H 1.080890 0.250505 1.088654 0.097 Uiso 1 1 calc R . . . .
C9 C 1.1416(5) 0.2791(2) 1.1440(8) 0.075(4) Uani 1 1 d G U . . .
H9A H 1.183608 0.269606 1.146587 0.090 Uiso 1 1 calc R . . . .
C8 C 1.1413(5) 0.3044(2) 1.1746(8) 0.068(3) Uani 1 1 d G U . . .
C13 C 1.0798(6) 0.31829(19) 1.1708(8) 0.075(4) Uani 1 1 d G U . . .
H13 H 1.079581 0.335556 1.191674 0.090 Uiso 1 1 calc R . . . .
C12 C 1.0188(5) 0.3069(2) 1.1363(9) 0.077(4) Uani 1 1 d G U . . .
H12A H 0.976861 0.316455 1.133741 0.093 Uiso 1 1 calc R . . . .
C59 C 0.7883(12) 0.4011(5) 0.0937(17) 0.098(6) Uani 1 1 d . U . . .
H59 H 0.816119 0.415945 0.087795 0.117 Uiso 1 1 calc R . . . .
C74 C 0.5289(9) 0.4240(4) 0.5883(14) 0.072(5) Uani 1 1 d . . . . .
H74 H 0.521611 0.441897 0.580981 0.087 Uiso 1 1 calc R . . . .
C60 C 0.7179(11) 0.4018(5) 0.0645(14) 0.080(4) Uani 1 1 d . U . . .
H60 H 0.699582 0.416581 0.033744 0.096 Uiso 1 1 calc R . . . .
C3 C 1.2945(12) 0.2512(5) 1.4324(13) 0.084(4) Uani 1 1 d . U . . .
H3A H 1.314585 0.235422 1.452605 0.100 Uiso 1 1 calc R . . . .
C26 C 1.2545(9) 0.2974(4) 0.7116(13) 0.069(5) Uani 1 1 d . . . . .
H26 H 1.267318 0.306342 0.656923 0.083 Uiso 1 1 calc R . . . .
C161 C 0.3102(12) 0.7335(3) 0.6469(13) 0.086(6) Uani 1 1 d D . . . .
H16B H 0.337076 0.733718 0.707563 0.103 Uiso 1 1 calc R . . . .
H16C H 0.260529 0.735354 0.660367 0.103 Uiso 1 1 calc R . . . .
C42 C 1.4141(9) 0.3151(5) 1.3306(10) 0.073(5) Uani 1 1 d . . . . .
H42A H 1.447250 0.328908 1.348558 0.088 Uiso 1 1 calc R . . . .
H42B H 1.435657 0.298634 1.349883 0.088 Uiso 1 1 calc R . . . .
C46 C 0.9947(16) 0.4375(5) 0.648(2) 0.122(9) Uani 1 1 d . U . . .
H46 H 0.997503 0.455484 0.639347 0.146 Uiso 1 1 calc R . . . .
C66 C 0.6043(8) 0.3181(3) 0.4224(10) 0.059(4) Uani 1 1 d . . . . .
H66 H 0.591049 0.303614 0.457594 0.071 Uiso 1 1 calc R . . . .
C2 C 1.3358(11) 0.2729(4) 1.4283(12) 0.074(4) Uani 1 1 d . U . . .
H2A H 1.381905 0.273034 1.454515 0.088 Uiso 1 1 calc R . . . .
C83 C 0.7415(8) 0.3900(3) 0.6721(11) 0.057(4) Uani 1 1 d . . . . .
H83 H 0.717291 0.404748 0.649263 0.069 Uiso 1 1 calc R . . . .
C97 C 0.3892(7) 0.4584(3) 1.1097(10) 0.108(7) Uani 1 1 d . U . . .
H97 H 0.427459 0.451722 1.145962 0.130 Uiso 1 1 calc R . . . .
C96 C 0.3957(7) 0.4815(3) 1.0622(12) 0.121(8) Uani 1 1 d DG U . . .
H96 H 0.438354 0.490531 1.065951 0.145 Uiso 1 1 calc R . . . .
C95 C 0.3397(8) 0.4912(2) 1.0091(11) 0.127(8) Uani 1 1 d DG U . . .
C94 C 0.2773(7) 0.4780(3) 1.0036(11) 0.106(7) Uani 1 1 d DG U . . .
H94 H 0.239075 0.484655 0.967366 0.127 Uiso 1 1 calc R . . . .
C93 C 0.2708(6) 0.4549(2) 1.0511(11) 0.093(5) Uani 1 1 d G U . . .
H93 H 0.228179 0.445847 1.047377 0.112 Uiso 1 1 calc R . . . .
C92 C 0.3268(8) 0.4451(2) 1.1042(10) 0.087(5) Uani 1 1 d G U . . .
C126 C 0.3680(11) 0.4281(4) 0.8631(14) 0.077(5) Uani 1 1 d . . . . .
H12B H 0.415239 0.435157 0.857346 0.093 Uiso 1 1 calc R . . . .
H12C H 0.343950 0.439319 0.907295 0.093 Uiso 1 1 calc R . . . .
C4 C 1.2248(13) 0.2522(5) 1.4075(14) 0.088(4) Uani 1 1 d . U . . .
H4A H 1.195459 0.237942 1.417876 0.106 Uiso 1 1 calc R . . . .
C166 C 0.3908(8) 0.6733(3) 0.5618(12) 0.117(6) Uani 1 1 d . U . . .
H166 H 0.434190 0.664705 0.564685 0.140 Uiso 1 1 calc R . . . .
C165 C 0.3341(11) 0.6623(2) 0.5141(10) 0.115(6) Uani 1 1 d DG U . . .
C164 C 0.2706(9) 0.6748(3) 0.5099(11) 0.120(6) Uani 1 1 d G U . . .
H164 H 0.231896 0.667310 0.477228 0.144 Uiso 1 1 calc R . . . .
C163 C 0.2638(7) 0.6985(3) 0.5535(11) 0.106(6) Uani 1 1 d G U . . .
H163 H 0.220446 0.707053 0.550684 0.127 Uiso 1 1 calc R . . . .
C162 C 0.3205(9) 0.7095(2) 0.6013(10) 0.096(5) Uani 1 1 d DG U . . .
C167 C 0.3840(7) 0.6969(3) 0.6055(10) 0.101(5) Uani 1 1 d G U . . .
H167 H 0.422740 0.704450 0.638143 0.121 Uiso 1 1 calc R . . . .
C90 C 0.2932(9) 0.3894(3) 1.0191(11) 0.067(4) Uani 1 1 d . . . . .
C119 C 0.2268(11) 0.4311(4) 0.4974(13) 0.077(5) Uani 1 1 d . . . . .
H11A H 0.243587 0.416709 0.459279 0.092 Uiso 1 1 calc R . . . .
H11B H 0.176605 0.428436 0.505358 0.092 Uiso 1 1 calc R . . . .
C48 C 1.0191(10) 0.3946(4) 0.6050(13) 0.077(4) Uani 1 1 d . U . . .
C5 C 1.1987(11) 0.2746(5) 1.3667(15) 0.087(5) Uani 1 1 d . U . . .
H5A H 1.151508 0.275660 1.345640 0.104 Uiso 1 1 calc R . . . .
C75 C 0.5561(9) 0.4132(4) 0.6741(13) 0.072(5) Uani 1 1 d . . . . .
H75 H 0.564669 0.424161 0.726553 0.086 Uiso 1 1 calc R . . . .
C54 C 0.9326(9) 0.3350(4) 0.3350(11) 0.077(5) Uani 1 1 d . . . . .
H54 H 0.933516 0.317444 0.318113 0.092 Uiso 1 1 calc R . . . .
C7 C 1.2046(9) 0.3187(4) 1.2076(12) 0.071(4) Uani 1 1 d . . . . .
H7A H 1.201538 0.336391 1.182500 0.085 Uiso 1 1 calc R . . . .
H7B H 1.245573 0.310523 1.180894 0.085 Uiso 1 1 calc R . . . .
C39 C 1.4034(7) 0.3152(3) 1.2285(10) 0.056(3) Uani 1 1 d . . . . .
C17 C 1.0159(9) 0.2154(2) 0.8459(12) 0.105(7) Uani 1 1 d . U . . .
H17 H 1.008334 0.197465 0.846106 0.126 Uiso 1 1 calc R . . . .
C18 C 1.0612(8) 0.2261(3) 0.7835(11) 0.113(8) Uani 1 1 d G U . . .
H18 H 1.084635 0.215450 0.741161 0.135 Uiso 1 1 calc R . . . .
C19 C 1.0723(6) 0.2524(3) 0.7832(9) 0.094(6) Uani 1 1 d G U . . .
H19 H 1.103281 0.259706 0.740599 0.113 Uiso 1 1 calc R . . . .
C20 C 1.0381(7) 0.2680(2) 0.8452(9) 0.075(4) Uani 1 1 d G U . . .
C15 C 0.9927(7) 0.2573(2) 0.9075(9) 0.079(5) Uani 1 1 d G U . . .
C16 C 0.9817(8) 0.2310(3) 0.9079(10) 0.090(6) Uani 1 1 d G U . . .
H16 H 0.950677 0.223738 0.950491 0.108 Uiso 1 1 calc R . . . .
C45 C 0.9466(14) 0.4269(5) 0.7162(17) 0.106(7) Uani 1 1 d . U . . .
H45 H 0.920584 0.437819 0.754608 0.127 Uiso 1 1 calc R . . . .
C140 C 0.3143(14) 0.6572(5) 0.1273(14) 0.118(7) Uani 1 1 d D U . . .
H14E H 0.365324 0.655242 0.129848 0.142 Uiso 1 1 calc R . . . .
H14F H 0.303772 0.674406 0.152101 0.142 Uiso 1 1 calc R . . . .
N21 N 0.2889(11) 0.6561(3) 0.0257(14) 0.107(5) Uani 1 1 d D U . . .
H21 H 0.296833 0.638224 0.003218 0.128 Uiso 1 1 calc R . . . .
C49 C 1.0604(12) 0.3832(7) 0.4415(17) 0.114(10) Uani 1 1 d . . . . .
H49A H 1.063248 0.401704 0.427955 0.137 Uiso 1 1 calc R . . . .
H49B H 1.100646 0.374721 0.413639 0.137 Uiso 1 1 calc R . . . .
C113 C 0.3357(6) 0.4819(2) 0.4678(8) 0.062(3) Uani 1 1 d D U . . .
C118 C 0.3090(5) 0.4597(2) 0.4266(9) 0.080(4) Uani 1 1 d DG U . . .
C117 C 0.3513(8) 0.4440(2) 0.3751(8) 0.101(5) Uani 1 1 d G U . . .
H117 H 0.333077 0.428781 0.346931 0.121 Uiso 1 1 calc R . . . .
C116 C 0.4205(8) 0.4504(3) 0.3650(8) 0.117(6) Uani 1 1 d G U . . .
H116 H 0.449409 0.439673 0.329818 0.141 Uiso 1 1 calc R . . . .
C115 C 0.4472(5) 0.4726(4) 0.4062(12) 0.121(6) Uani 1 1 d G U . . .
H115 H 0.494414 0.477044 0.399281 0.145 Uiso 1 1 calc R . . . .
C114 C 0.4048(6) 0.4884(3) 0.4577(11) 0.116(6) Uani 1 1 d G U . . .
H114 H 0.423089 0.503523 0.485859 0.139 Uiso 0.5 1 calc R . P C 1
C112 C 0.3258(17) 0.4976(4) 0.6289(17) 0.122(6) Uani 1 1 d D U . . .
H11C H 0.375911 0.501631 0.634027 0.147 Uiso 1 1 calc R . . . .
H11D H 0.319534 0.479955 0.652795 0.147 Uiso 1 1 calc R . . . .
C98 C 0.3465(13) 0.5177(3) 0.9618(17) 0.146(12) Uani 1 1 d D U . . .
H98A H 0.309708 0.519962 0.912063 0.175 Uiso 1 1 calc R . . . .
H98B H 0.392125 0.519301 0.933198 0.175 Uiso 1 1 calc R . . . .
N15 N 0.3390(12) 0.5385(3) 1.0413(18) 0.169(8) Uani 1 1 d D U . . .
H15 H 0.376219 0.537174 1.092021 0.203 Uiso 1 1 calc R . . . .
C168 C 0.346(2) 0.6372(4) 0.478(3) 0.161(11) Uani 1 1 d D U . . .
H16D H 0.394258 0.636531 0.456672 0.193 Uiso 1 1 calc R . . . .
H16E H 0.314880 0.634705 0.421672 0.193 Uiso 1 1 calc R . . . .
Cl21 Cl 0.1550(6) 0.62412(15) 0.0305(9) 0.171(4) Uani 1 1 d . . . . .
N16 N 0.2366(11) 0.5744(4) 0.9560(15) 0.156(6) Uani 1 1 d D U . . .
H16A H 0.223458 0.591212 0.983370 0.187 Uiso 1 1 calc R . . . .
C139 C 0.2026(11) 0.6254(4) 0.3038(17) 0.170(9) Uani 1 1 d D U . . .
H139 H 0.165092 0.629598 0.342150 0.204 Uiso 1 1 calc R . . . .
C134 C 0.2300(12) 0.6008(3) 0.3055(17) 0.174(10) Uani 1 1 d G U . . .
C135 C 0.2848(13) 0.5947(3) 0.2494(16) 0.173(9) Uani 1 1 d DG U . . .
H135 H 0.303502 0.577920 0.250598 0.208 Uiso 1 1 calc R . . . .
C136 C 0.3122(12) 0.6133(4) 0.1916(15) 0.160(9) Uani 1 1 d G U . . .
H136 H 0.349688 0.609097 0.153291 0.192 Uiso 1 1 calc R . . . .
C137 C 0.2848(12) 0.6379(4) 0.1899(15) 0.142(7) Uani 1 1 d DG U . . .
C138 C 0.2300(13) 0.6440(3) 0.2460(17) 0.159(9) Uani 1 1 d G U . . .
H138 H 0.211279 0.660775 0.244840 0.191 Uiso 1 1 calc R . . . .
Cl16 Cl 0.3457(10) 0.61111(19) 0.8920(11) 0.243(6) Uani 1 1 d . U . . .
Cl15 Cl 0.4631(10) 0.5693(4) 0.9778(11) 0.252(6) Uani 1 1 d . U . . .
C105 C 0.1941(18) 0.5731(5) 0.8618(16) 0.167(6) Uani 1 1 d D U . . .
H10B H 0.145247 0.568246 0.871191 0.200 Uiso 1 1 calc R . . . .
H10C H 0.195447 0.589484 0.827342 0.200 Uiso 1 1 calc R . . . .
N20 N 0.2430(10) 0.5813(4) 0.4758(17) 0.152(7) Uani 1 1 d D U . D 1
H20 H 0.234862 0.564695 0.508585 0.183 Uiso 1 1 calc R . . D 1
C133 C 0.1986(16) 0.5777(5) 0.391(2) 0.164(10) Uani 1 1 d D U . . .
H13B H 0.149537 0.581059 0.404752 0.196 Uiso 1 1 calc R . . D .
H13C H 0.202566 0.559946 0.367564 0.196 Uiso 1 1 calc R . . D .
N19 N 0.3360(15) 0.6155(5) 0.543(2) 0.198(9) Uani 1 1 d D U . . .
H19A H 0.375210 0.616125 0.590760 0.237 Uiso 1 1 calc R . . . .
C109 C 0.2858(12) 0.5165(3) 0.6900(15) 0.139(5) Uani 1 1 d . U . . .
C108 C 0.2299(12) 0.5101(3) 0.7437(17) 0.147(6) Uani 1 1 d G U . . .
H108 H 0.209897 0.493534 0.738516 0.176 Uiso 1 1 calc R . . . .
C107 C 0.2032(12) 0.5280(3) 0.8048(17) 0.156(6) Uani 1 1 d G U . . .
H107 H 0.164936 0.523583 0.841410 0.187 Uiso 1 1 calc R . . . .
C106 C 0.2324(13) 0.5522(3) 0.8123(17) 0.159(6) Uani 1 1 d DG U . . .
C111 C 0.2883(13) 0.5586(3) 0.7587(17) 0.153(6) Uani 1 1 d G U . . .
H111 H 0.308326 0.575233 0.763824 0.184 Uiso 1 1 calc R . . . .
C110 C 0.3151(11) 0.5408(3) 0.6976(16) 0.146(6) Uani 1 1 d G U . . .
H110 H 0.353288 0.545185 0.660930 0.176 Uiso 1 1 calc R . . . .
N17 N 0.3012(10) 0.4987(4) 0.5268(15) 0.106(5) Uani 1 1 d D U . . .
H17A H 0.308250 0.516539 0.503635 0.127 Uiso 0.5 1 calc R . P E 1
C127 C 0.2715(11) 0.6162(4) 0.5944(18) 0.197(8) Uani 1 1 d D U . . .
C132 C 0.2213(14) 0.6004(4) 0.5527(17) 0.197(8) Uani 1 1 d DG U . . .
C131 C 0.1548(12) 0.6000(5) 0.586(2) 0.204(10) Uani 1 1 d G U . . .
H131 H 0.120469 0.589106 0.557935 0.245 Uiso 1 1 calc R . . . .
C130 C 0.1385(12) 0.6154(5) 0.662(2) 0.208(10) Uani 1 1 d G U . . .
H130 H 0.093032 0.615126 0.684737 0.249 Uiso 1 1 calc R . . . .
C129 C 0.1887(15) 0.6313(4) 0.7034(16) 0.204(10) Uani 1 1 d G U . . .
H129 H 0.177567 0.641843 0.754850 0.245 Uiso 1 1 calc R . . . .
C128 C 0.2552(13) 0.6317(4) 0.6697(15) 0.197(10) Uani 1 1 d G U . . .
H128 H 0.289540 0.642538 0.698163 0.237 Uiso 1 1 calc R . . . .
C104 C 0.2146(10) 0.5539(4) 1.0329(14) 0.183(7) Uani 1 1 d D U . . .
C103 C 0.1453(9) 0.5519(5) 1.0547(19) 0.212(9) Uani 1 1 d G U . . .
H103 H 0.111374 0.562038 1.022035 0.254 Uiso 1 1 calc R . . . .
C102 C 0.1257(10) 0.5351(5) 1.124(2) 0.203(9) Uani 1 1 d G U . . .
H102 H 0.078376 0.533707 1.139217 0.243 Uiso 1 1 calc R . . . .
C101 C 0.1754(13) 0.5202(4) 1.1721(16) 0.191(9) Uani 1 1 d G U . . .
H101 H 0.162015 0.508709 1.219693 0.230 Uiso 1 1 calc R . . . .
C100 C 0.2447(12) 0.5222(3) 1.1503(13) 0.161(7) Uani 1 1 d G U . . .
H100 H 0.278653 0.512041 1.182988 0.193 Uiso 1 1 calc R . . . .
C99 C 0.2643(9) 0.5390(3) 1.0807(13) 0.163(6) Uani 1 1 d DG U . . .
Cl20 Cl 0.3486(9) 0.54209(18) 0.3998(11) 0.239(6) Uani 1 1 d . U . . .
Cl19 Cl 0.4664(9) 0.5852(3) 0.4936(13) 0.245(6) Uani 1 1 d . U . . .
O1G O 0.1815(13) 0.4551(6) 0.2494(14) 0.108(8) Uani 0.705(19) 1 d D U P . .
O4W O 0.1647(18) 0.7083(7) -0.2435(17) 0.202(14) Uani 1 1 d . . . . .
C3G C 0.0465(19) 0.4205(6) 0.131(2) 0.119(9) Uani 0.705(19) 1 d D U P . .
H3G H 0.077679 0.423492 0.078024 0.142 Uiso 0.705(19) 1 calc R . P . .
C1G C 0.1274(16) 0.4543(7) 0.219(2) 0.114(9) Uani 0.705(19) 1 d D U P . .
H1G H 0.109786 0.469047 0.187298 0.137 Uiso 0.705(19) 1 calc R . P . .
C2G C 0.0800(19) 0.4312(7) 0.225(2) 0.116(9) Uani 0.705(19) 1 d D U P . .
H2GA H 0.042027 0.435789 0.266732 0.140 Uiso 0.705(19) 1 calc R . P . .
H2GB H 0.106745 0.417227 0.256303 0.140 Uiso 0.705(19) 1 calc R . P . .
C4G C 0.024(2) 0.3918(6) 0.135(3) 0.134(12) Uani 0.705(19) 1 d D U P . .
H4GA H 0.065166 0.380986 0.143092 0.201 Uiso 0.705(19) 1 calc R . P . .
H4GB H -0.001395 0.387289 0.076450 0.201 Uiso 0.705(19) 1 calc R . P . .
H4GC H -0.006022 0.389267 0.188047 0.201 Uiso 0.705(19) 1 calc R . P . .
C6G C -0.0443(18) 0.4313(7) 0.0004(17) 0.134(12) Uani 0.705(19) 1 d D U P . .
H6GA H -0.032221 0.414271 -0.024667 0.161 Uiso 0.705(19) 1 calc R . P . .
H6GB H -0.094333 0.434375 -0.012841 0.161 Uiso 0.705(19) 1 calc R . P . .
C5G C -0.027(2) 0.4326(9) 0.1095(18) 0.128(10) Uani 0.705(19) 1 d D U P . .
H5GA H -0.026693 0.450680 0.130610 0.153 Uiso 0.705(19) 1 calc R . P . .
H5GB H -0.062082 0.423202 0.143765 0.153 Uiso 0.705(19) 1 calc R . P . .
C7G C 0.0000(18) 0.4527(6) -0.046(2) 0.110(9) Uani 0.705(19) 1 d D U P . .
H7G H -0.015211 0.469922 -0.039832 0.132 Uiso 0.705(19) 1 calc R . P . .
C10G C 0.093(2) 0.4701(6) -0.137(3) 0.132(13) Uani 0.705(19) 1 d D U P . .
H10D H 0.067083 0.485773 -0.125300 0.198 Uiso 0.705(19) 1 calc R . P . .
H10E H 0.095080 0.467386 -0.205127 0.198 Uiso 0.705(19) 1 calc R . P . .
H10F H 0.140582 0.471896 -0.110155 0.198 Uiso 0.705(19) 1 calc R . P . .
C8G C 0.0598(17) 0.4485(4) -0.095(2) 0.104(8) Uani 0.705(19) 1 d D U P . .
C9G C 0.0868(18) 0.4238(5) -0.118(3) 0.138(14) Uani 0.705(19) 1 d D U P . .
H9GA H 0.136418 0.423147 -0.100945 0.207 Uiso 0.705(19) 1 calc R . P . .
H9GB H 0.080136 0.420998 -0.186216 0.207 Uiso 0.705(19) 1 calc R . P . .
H9GC H 0.062420 0.410504 -0.084504 0.207 Uiso 0.705(19) 1 calc R . P . .
O2W O 1.2075(15) 0.3736(5) 0.6221(18) 0.204(15) Uani 1 1 d . . . . .
O1W O 0.8016(10) 0.2801(4) 0.8891(13) 0.125(6) Uani 1 1 d . . . . .
O3W O 0.443(2) 0.6267(5) 0.6917(16) 0.233(18) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd6 Cl12 2.302(3) . ?
Pd6 Cl11 2.320(5) . ?
Pd6 N11 2.038(12) . ?
Pd6 N12 2.073(13) . ?
Pd3 Cl6 2.302(4) . ?
Pd3 Cl5 2.304(4) . ?
Pd3 N6 2.070(11) . ?
Pd3 N5 2.058(17) . ?
Pd1 Cl1 2.281(5) . ?
Pd1 Cl2 2.303(5) . ?
Pd1 N1 2.006(14) . ?
Pd1 N2 2.053(13) . ?
Pd7 Cl13 2.299(4) . ?
Pd7 Cl14 2.298(5) . ?
Pd7 N13 2.058(14) . ?
Pd7 N14 2.081(15) . ?
Pd4 Cl7 2.292(6) . ?
Pd4 Cl8 2.318(4) . ?
Pd4 N7 2.069(12) . ?
Pd4 N8 2.078(17) . ?
Pd2 Cl4 2.296(5) . ?
Pd2 Cl3 2.307(5) . ?
Pd2 N4 2.087(17) . ?
Pd2 N3 2.043(18) . ?
Pd12 Cl24 2.287(5) . ?
Pd12 Cl23 2.295(4) . ?
Pd12 N24 2.058(16) . ?
Pd12 N23 2.066(15) . ?
Pd5 Cl9 2.296(5) . ?
Pd5 Cl10 2.290(6) . ?
Pd5 N10 2.119(16) . ?
Pd5 N9 2.062(16) . ?
Pd9 Cl17 2.297(8) . ?
Pd9 Cl18 2.281(8) . ?
Pd9 N18 2.030(19) . ?
Pd9 N17 2.09(2) . ?
Pd11 Cl22 2.251(10) . ?
Pd11 N22 1.98(2) . ?
Pd11 N21 1.98(2) . ?
Pd11 Cl21 2.298(8) . ?
Pd10 N20 1.92(2) . ?
Pd10 N19 2.03(2) . ?
Pd10 Cl20 2.323(13) . ?
Pd10 Cl19 2.404(19) . ?
Pd8 N15 2.090(18) . ?
Pd8 N16 1.99(2) . ?
Pd8 Cl16 2.267(12) . ?
Pd8 Cl15 2.39(2) . ?
N11 H11 1.0000 . ?
N11 C71 1.49(2) . ?
N11 C70 1.517(17) . ?
C6 C1 1.34(2) . ?
C6 N2 1.54(3) . ?
C6 C5 1.36(3) . ?
N12 H12 1.0000 . ?
N12 C77 1.47(2) . ?
N12 C76 1.47(2) . ?
C64 C65 1.41(3) . ?
C64 C63 1.52(2) . ?
C64 C69 1.35(2) . ?
N10 H10 1.0000 . ?
N10 C63 1.493(19) . ?
N10 C62 1.32(2) . ?
N4 H4 1.0000 . ?
N4 C21 1.55(2) . ?
N4 C20 1.44(2) . ?
C30 H30 0.9500 . ?
C30 C29 1.35(2) . ?
C30 C31 1.41(3) . ?
C120 C125 1.3900 . ?
C120 C121 1.3900 . ?
C120 C119 1.50(2) . ?
C125 H125 0.9500 . ?
C125 C124 1.3900 . ?
C124 H124 0.9500 . ?
C124 C123 1.3900 . ?
C123 C122 1.3900 . ?
C123 C126 1.50(2) . ?
C122 H122 0.9500 . ?
C122 C121 1.3900 . ?
C121 H121 0.9500 . ?
N13 H13A 1.0000 . ?
N13 C85 1.49(2) . ?
N13 C126 1.39(3) . ?
N6 H6 1.0000 . ?
N6 C35 1.523(18) . ?
N6 C34 1.42(2) . ?
C79 H79 0.9500 . ?
C79 C78 1.35(2) . ?
C79 C80 1.42(2) . ?
C41 H41 0.9500 . ?
C41 C36 1.38(3) . ?
C41 C40 1.44(2) . ?
C37 H37 0.9500 . ?
C37 C36 1.39(2) . ?
C37 C38 1.41(2) . ?
N9 H9 1.0000 . ?
N9 C56 1.47(2) . ?
N9 C57 1.54(2) . ?
C65 H65 0.9500 . ?
C65 C66 1.39(2) . ?
C24 H24 0.9500 . ?
C24 C23 1.38(2) . ?
C24 C25 1.34(2) . ?
C22 C27 1.36(3) . ?
C22 C23 1.34(3) . ?
C22 C21 1.56(3) . ?
N24 H24A 1.0000 . ?
N24 C160 1.446(17) . ?
N24 C161 1.499(17) . ?
N7 H7 1.0000 . ?
N7 C84 1.43(2) . ?
N7 C43 1.46(2) . ?
C29 N5 1.45(2) . ?
C29 C34 1.43(2) . ?
C1 N1 1.55(2) . ?
C1 C2 1.32(3) . ?
C160 C155 1.3900 . ?
C160 C159 1.3900 . ?
C155 C156 1.3900 . ?
C155 N23 1.446(16) . ?
C156 H156 0.9500 . ?
C156 C157 1.3900 . ?
C157 H157 0.9500 . ?
C157 C158 1.3900 . ?
C158 H158 0.9500 . ?
C158 C159 1.3900 . ?
C159 H159 0.9500 . ?
C151 C150 1.3900 . ?
C151 C152 1.3900 . ?
C151 C154 1.554(19) . ?
C150 H150 0.9500 . ?
C150 C149 1.3900 . ?
C149 H149 0.9500 . ?
C149 C148 1.3900 . ?
C148 C153 1.3900 . ?
C148 C147 1.56(2) . ?
C153 H153 0.9500 . ?
C153 C152 1.3900 . ?
C152 H152 0.9500 . ?
N1 H1 1.0000 . ?
N1 C42 1.492(19) . ?
N14 H14 1.0000 . ?
N14 C91 1.50(3) . ?
N14 C90 1.54(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
N23 H23A 1.0000 . ?
N23 C154 1.54(2) . ?
N2 H2 1.0000 . ?
N2 C7 1.50(2) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C53 1.52(3) . ?
N3 H3 1.0000 . ?
N3 C14 1.48(2) . ?
N3 C15 1.497(19) . ?
C36 C35 1.511(19) . ?
C147 H14C 0.9900 . ?
C147 H14D 0.9900 . ?
C147 N22 1.47(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.43(3) . ?
C61 C60 1.34(3) . ?
N5 H5 1.0000 . ?
N5 C28 1.54(2) . ?
C27 H27 0.9500 . ?
C27 C26 1.43(2) . ?
C71 C72 1.40(2) . ?
C71 C76 1.36(2) . ?
C69 H69 0.9500 . ?
C69 C68 1.36(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C31 H31 0.9500 . ?
C31 C32 1.35(3) . ?
C78 C77 1.51(2) . ?
C78 C83 1.46(2) . ?
C51 H51 0.9500 . ?
C51 C50 1.39(3) . ?
C51 C52 1.38(3) . ?
C23 H23 0.9500 . ?
C25 C28 1.51(2) . ?
C25 C26 1.42(3) . ?
C82 H82 0.9500 . ?
C82 C81 1.34(3) . ?
C82 C83 1.35(2) . ?
C50 C55 1.34(3) . ?
C50 C49 1.53(3) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C67 1.50(2) . ?
N22 H22 1.0000 . ?
N22 C146 1.433(17) . ?
N18 H18A 1.0000 . ?
N18 C119 1.46(3) . ?
N18 C118 1.469(16) . ?
C88 H88 0.9500 . ?
C88 C87 1.35(3) . ?
C88 C89 1.36(3) . ?
C67 C68 1.37(2) . ?
C67 C66 1.34(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.46(3) . ?
C85 C86 1.44(2) . ?
C85 C90 1.340(19) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C84 C81 1.52(2) . ?
C47 H47 0.9500 . ?
C47 C46 1.30(3) . ?
C47 C48 1.47(3) . ?
C44 H44 0.9500 . ?
C44 C43 1.46(3) . ?
C44 C45 1.33(3) . ?
C86 H86 0.9500 . ?
C86 C87 1.38(3) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C32 H32 0.9500 . ?
C32 C33 1.33(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C43 C48 1.23(3) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C34 C33 1.40(2) . ?
C72 H72 0.9500 . ?
C72 C73 1.38(3) . ?
C58 H58 0.9500 . ?
C58 C57 1.38(3) . ?
C58 C59 1.43(3) . ?
C80 H80 0.9500 . ?
C80 C81 1.43(2) . ?
C53 C52 1.42(3) . ?
C53 C54 1.37(3) . ?
C87 H87 0.9500 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C91 C92 1.51(3) . ?
C146 C141 1.3900 . ?
C146 C145 1.3900 . ?
C141 C142 1.3900 . ?
C141 N21 1.465(17) . ?
C142 H142 0.9500 . ?
C142 C143 1.3900 . ?
C143 H143 0.9500 . ?
C143 C144 1.3900 . ?
C144 H144 0.9500 . ?
C144 C145 1.3900 . ?
C145 H145 0.9500 . ?
C40 H40 0.9500 . ?
C40 C39 1.37(2) . ?
N8 H8 1.0000 . ?
N8 C48 1.46(3) . ?
N8 C49 1.54(3) . ?
C55 H55 0.9500 . ?
C55 C54 1.39(3) . ?
C33 H33 0.9500 . ?
C89 H89 0.9500 . ?
C89 C90 1.44(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C73 H73 0.9500 . ?
C73 C74 1.46(3) . ?
C52 H52 0.9500 . ?
C68 H68 0.9500 . ?
C62 C57 1.31(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C11 1.57(2) . ?
C76 C75 1.37(3) . ?
C11 C10 1.3900 . ?
C11 C12 1.3900 . ?
C10 H10A 0.9500 . ?
C10 C9 1.3900 . ?
C9 H9A 0.9500 . ?
C9 C8 1.3900 . ?
C8 C13 1.3900 . ?
C8 C7 1.49(2) . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 H12A 0.9500 . ?
C59 H59 0.9500 . ?
C59 C60 1.41(3) . ?
C74 H74 0.9500 . ?
C74 C75 1.43(3) . ?
C60 H60 0.9500 . ?
C3 H3A 0.9500 . ?
C3 C2 1.39(3) . ?
C3 C4 1.38(3) . ?
C26 H26 0.9500 . ?
C161 H16B 0.9900 . ?
C161 H16C 0.9900 . ?
C161 C162 1.431(19) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C39 1.46(2) . ?
C46 H46 0.9500 . ?
C46 C45 1.48(4) . ?
C66 H66 0.9500 . ?
C2 H2A 0.9500 . ?
C83 H83 0.9500 . ?
C97 H97 0.9500 . ?
C97 C96 1.3900 . ?
C97 C92 1.3900 . ?
C96 H96 0.9500 . ?
C96 C95 1.3900 . ?
C95 C94 1.3900 . ?
C95 C98 1.546(19) . ?
C94 H94 0.9500 . ?
C94 C93 1.3900 . ?
C93 H93 0.9500 . ?
C93 C92 1.3900 . ?
C126 H12B 0.9900 . ?
C126 H12C 0.9900 . ?
C4 H4A 0.9500 . ?
C4 C5 1.39(3) . ?
C166 H166 0.9500 . ?
C166 C165 1.3900 . ?
C166 C167 1.3900 . ?
C165 C164 1.3900 . ?
C165 C168 1.430(13) . ?
C164 H164 0.9500 . ?
C164 C163 1.3900 . ?
C163 H163 0.9500 . ?
C163 C162 1.3900 . ?
C162 C167 1.3900 . ?
C167 H167 0.9500 . ?
C119 H11A 0.9900 . ?
C119 H11B 0.9900 . ?
C5 H5A 0.9500 . ?
C75 H75 0.9500 . ?
C54 H54 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C17 C16 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 H16 0.9500 . ?
C45 H45 0.9500 . ?
C140 H14E 0.9900 . ?
C140 H14F 0.9900 . ?
C140 N21 1.511(13) . ?
C140 C137 1.48(2) . ?
N21 H21 1.0000 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C113 C118 1.3900 . ?
C113 C114 1.3900 . ?
C113 N17 1.403(17) . ?
C118 C117 1.3900 . ?
C117 H117 0.9500 . ?
C117 C116 1.3900 . ?
C116 H116 0.9500 . ?
C116 C115 1.3900 . ?
C115 H115 0.9500 . ?
C115 C114 1.3900 . ?
C114 H114 0.9500 . ?
C112 H11C 0.9900 . ?
C112 H11D 0.9900 . ?
C112 C109 1.55(3) . ?
C112 N17 1.51(2) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C98 N15 1.58(2) . ?
N15 H15 1.0000 . ?
N15 C99 1.570(18) . ?
C168 H16D 0.9900 . ?
C168 H16E 0.9900 . ?
C168 N19 1.48(4) . ?
N16 H16A 1.0000 . ?
N16 C105 1.55(2) . ?
N16 C104 1.602(18) . ?
C139 H139 0.9500 . ?
C139 C134 1.3900 . ?
C139 C138 1.3900 . ?
C134 C135 1.3900 . ?
C134 C133 1.84(3) . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 H136 0.9500 . ?
C136 C137 1.3900 . ?
C137 C138 1.3900 . ?
C138 H138 0.9500 . ?
C105 H10B 0.9900 . ?
C105 H10C 0.9900 . ?
C105 C106 1.51(2) . ?
N20 H20 1.0000 . ?
N20 C133 1.46(2) . ?
N20 C132 1.55(2) . ?
C133 H13B 0.9900 . ?
C133 H13C 0.9900 . ?
N19 H19A 1.0000 . ?
N19 C127 1.47(2) . ?
C109 C108 1.3900 . ?
C109 C110 1.3900 . ?
C108 H108 0.9500 . ?
C108 C107 1.3900 . ?
C107 H107 0.9500 . ?
C107 C106 1.3900 . ?
C106 C111 1.3900 . ?
C111 H111 0.9500 . ?
C111 C110 1.3900 . ?
C110 H110 0.9500 . ?
N17 H17A 1.0000 . ?
C127 C132 1.3900 . ?
C127 C128 1.3900 . ?
C132 C131 1.3900 . ?
C131 H131 0.9500 . ?
C131 C130 1.3900 . ?
C130 H130 0.9500 . ?
C130 C129 1.3900 . ?
C129 H129 0.9500 . ?
C129 C128 1.3900 . ?
C128 H128 0.9500 . ?
C104 C103 1.3900 . ?
C104 C99 1.3900 . ?
C103 H103 0.9500 . ?
C103 C102 1.3900 . ?
C102 H102 0.9500 . ?
C102 C101 1.3900 . ?
C101 H101 0.9500 . ?
C101 C100 1.3900 . ?
C100 H100 0.9500 . ?
C100 C99 1.3900 . ?
O1G C1G 1.11(2) . ?
C3G H3G 1.0000 . ?
C3G C2G 1.57(2) . ?
C3G C4G 1.56(3) . ?
C3G C5G 1.57(3) . ?
C1G H1G 0.9500 . ?
C1G C2G 1.52(3) . ?
C2G H2GA 0.9900 . ?
C2G H2GB 0.9900 . ?
C4G H4GA 0.9800 . ?
C4G H4GB 0.9800 . ?
C4G H4GC 0.9800 . ?
C6G H6GA 0.9900 . ?
C6G H6GB 0.9900 . ?
C6G C5G 1.58(2) . ?
C6G C7G 1.57(2) . ?
C5G H5GA 0.9900 . ?
C5G H5GB 0.9900 . ?
C7G H7G 0.9500 . ?
C7G C8G 1.39(2) . ?
C10G H10D 0.9800 . ?
C10G H10E 0.9800 . ?
C10G H10F 0.9800 . ?
C10G C8G 1.45(2) . ?
C8G C9G 1.44(2) . ?
C9G H9GA 0.9800 . ?
C9G H9GB 0.9800 . ?
C9G H9GC 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
Cl12 Pd6 Cl11 93.57(16) . . ?
N11 Pd6 Cl12 171.9(4) . . ?
N11 Pd6 Cl11 91.4(4) . . ?
N11 Pd6 N12 85.7(5) . . ?
N12 Pd6 Cl12 89.5(4) . . ?
N12 Pd6 Cl11 176.5(4) . . ?
Cl6 Pd3 Cl5 93.10(16) . . ?
N6 Pd3 Cl6 92.4(4) . . ?
N6 Pd3 Cl5 171.6(4) . . ?
N5 Pd3 Cl6 174.9(4) . . ?
N5 Pd3 Cl5 91.2(4) . . ?
N5 Pd3 N6 83.7(5) . . ?
Cl1 Pd1 Cl2 92.3(2) . . ?
N1 Pd1 Cl1 91.9(4) . . ?
N1 Pd1 Cl2 175.4(4) . . ?
N1 Pd1 N2 84.9(5) . . ?
N2 Pd1 Cl1 176.3(4) . . ?
N2 Pd1 Cl2 91.0(4) . . ?
Cl14 Pd7 Cl13 93.86(18) . . ?
N13 Pd7 Cl13 90.2(4) . . ?
N13 Pd7 Cl14 176.0(4) . . ?
N13 Pd7 N14 87.0(6) . . ?
N14 Pd7 Cl13 177.1(5) . . ?
N14 Pd7 Cl14 88.9(5) . . ?
Cl7 Pd4 Cl8 91.22(19) . . ?
N7 Pd4 Cl7 91.5(5) . . ?
N7 Pd4 Cl8 177.3(5) . . ?
N7 Pd4 N8 83.1(6) . . ?
N8 Pd4 Cl7 174.6(5) . . ?
N8 Pd4 Cl8 94.2(5) . . ?
Cl4 Pd2 Cl3 91.81(19) . . ?
N4 Pd2 Cl4 91.0(5) . . ?
N4 Pd2 Cl3 176.1(5) . . ?
N3 Pd2 Cl4 175.4(5) . . ?
N3 Pd2 Cl3 92.6(5) . . ?
N3 Pd2 N4 84.6(7) . . ?
Cl24 Pd12 Cl23 93.72(18) . . ?
N24 Pd12 Cl24 92.2(4) . . ?
N24 Pd12 Cl23 173.3(4) . . ?
N24 Pd12 N23 83.1(5) . . ?
N23 Pd12 Cl24 174.4(4) . . ?
N23 Pd12 Cl23 91.1(4) . . ?
Cl10 Pd5 Cl9 92.0(2) . . ?
N10 Pd5 Cl9 173.4(4) . . ?
N10 Pd5 Cl10 94.2(4) . . ?
N9 Pd5 Cl9 92.1(5) . . ?
N9 Pd5 Cl10 175.6(5) . . ?
N9 Pd5 N10 81.7(6) . . ?
Cl18 Pd9 Cl17 92.1(4) . . ?
N18 Pd9 Cl17 173.3(6) . . ?
N18 Pd9 Cl18 88.3(5) . . ?
N18 Pd9 N17 87.0(7) . . ?
N17 Pd9 Cl17 92.7(6) . . ?
N17 Pd9 Cl18 175.1(6) . . ?
Cl22 Pd11 Cl21 93.4(4) . . ?
N22 Pd11 Cl22 88.2(5) . . ?
N22 Pd11 N21 87.0(7) . . ?
N22 Pd11 Cl21 172.1(6) . . ?
N21 Pd11 Cl22 174.4(5) . . ?
N21 Pd11 Cl21 91.7(6) . . ?
N20 Pd10 N19 85.4(8) . . ?
N20 Pd10 Cl20 94.0(8) . . ?
N20 Pd10 Cl19 172.4(8) . . ?
N19 Pd10 Cl20 179.3(11) . . ?
N19 Pd10 Cl19 87.5(9) . . ?
Cl20 Pd10 Cl19 93.1(6) . . ?
N15 Pd8 Cl16 176.9(7) . . ?
N15 Pd8 Cl15 85.7(8) . . ?
N16 Pd8 N15 92.5(8) . . ?
N16 Pd8 Cl16 90.0(8) . . ?
N16 Pd8 Cl15 174.1(8) . . ?
Cl16 Pd8 Cl15 91.6(6) . . ?
Pd6 N11 H11 107.7 . . ?
C71 N11 Pd6 107.1(9) . . ?
C71 N11 H11 107.7 . . ?
C71 N11 C70 113.3(12) . . ?
C70 N11 Pd6 113.2(9) . . ?
C70 N11 H11 107.7 . . ?
C1 C6 N2 118.3(15) . . ?
C1 C6 C5 121(2) . . ?
C5 C6 N2 121.2(17) . . ?
Pd6 N12 H12 108.0 . . ?
C77 N12 Pd6 111.4(10) . . ?
C77 N12 H12 108.0 . . ?
C76 N12 Pd6 105.4(10) . . ?
C76 N12 H12 108.0 . . ?
C76 N12 C77 115.7(13) . . ?
C65 C64 C63 119.5(16) . . ?
C69 C64 C65 116.0(13) . . ?
C69 C64 C63 124.5(16) . . ?
Pd5 N10 H10 104.3 . . ?
C63 N10 Pd5 114.3(11) . . ?
C63 N10 H10 104.4 . . ?
C62 N10 Pd5 107.5(10) . . ?
C62 N10 H10 104.3 . . ?
C62 N10 C63 120.3(15) . . ?
Pd2 N4 H4 108.6 . . ?
C21 N4 Pd2 106.2(12) . . ?
C21 N4 H4 108.6 . . ?
C20 N4 Pd2 107.9(10) . . ?
C20 N4 H4 108.6 . . ?
C20 N4 C21 116.9(16) . . ?
C29 C30 H30 122.6 . . ?
C29 C30 C31 114.9(19) . . ?
C31 C30 H30 122.6 . . ?
C125 C120 C121 120.0 . . ?
C125 C120 C119 119.0(12) . . ?
C121 C120 C119 121.0(11) . . ?
C120 C125 H125 120.0 . . ?
C124 C125 C120 120.0 . . ?
C124 C125 H125 120.0 . . ?
C125 C124 H124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C123 C122 120.0 . . ?
C124 C123 C126 122.5(10) . . ?
C122 C123 C126 117.2(10) . . ?
C123 C122 H122 120.0 . . ?
C121 C122 C123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C120 C121 H121 120.0 . . ?
C122 C121 C120 120.0 . . ?
C122 C121 H121 120.0 . . ?
Pd7 N13 H13A 106.8 . . ?
C85 N13 Pd7 105.9(9) . . ?
C85 N13 H13A 106.8 . . ?
C126 N13 Pd7 114.7(13) . . ?
C126 N13 H13A 106.8 . . ?
C126 N13 C85 115.3(14) . . ?
Pd3 N6 H6 107.0 . . ?
C35 N6 Pd3 110.3(9) . . ?
C35 N6 H6 107.0 . . ?
C34 N6 Pd3 106.8(10) . . ?
C34 N6 H6 107.0 . . ?
C34 N6 C35 118.2(12) . . ?
C78 C79 H79 118.1 . . ?
C78 C79 C80 123.8(14) . . ?
C80 C79 H79 118.1 . . ?
C36 C41 H41 120.7 . . ?
C36 C41 C40 119(2) . . ?
C40 C41 H41 120.7 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 120.9(16) . . ?
C38 C37 H37 119.5 . . ?
Pd5 N9 H9 107.8 . . ?
C56 N9 Pd5 109.2(12) . . ?
C56 N9 H9 107.8 . . ?
C56 N9 C57 116.6(17) . . ?
C57 N9 Pd5 107.4(10) . . ?
C57 N9 H9 107.8 . . ?
C64 C65 H65 120.2 . . ?
C66 C65 C64 119.7(16) . . ?
C66 C65 H65 120.2 . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C25 C24 C23 121.3(18) . . ?
C27 C22 C21 116.5(19) . . ?
C23 C22 C27 118.6(17) . . ?
C23 C22 C21 124.3(17) . . ?
Pd12 N24 H24A 106.4 . . ?
C160 N24 Pd12 110.5(8) . . ?
C160 N24 H24A 106.4 . . ?
C160 N24 C161 111.9(15) . . ?
C161 N24 Pd12 114.7(12) . . ?
C161 N24 H24A 106.4 . . ?
Pd4 N7 H7 107.3 . . ?
C84 N7 Pd4 112.9(10) . . ?
C84 N7 H7 107.3 . . ?
C84 N7 C43 116.0(15) . . ?
C43 N7 Pd4 105.7(10) . . ?
C43 N7 H7 107.3 . . ?
C30 C29 N5 122.3(16) . . ?
C30 C29 C34 123.0(16) . . ?
C34 C29 N5 114.7(14) . . ?
C6 C1 N1 115.3(16) . . ?
C2 C1 C6 123.1(18) . . ?
C2 C1 N1 120.9(16) . . ?
C155 C160 N24 115.5(9) . . ?
C155 C160 C159 120.0 . . ?
C159 C160 N24 124.2(9) . . ?
C160 C155 C156 120.0 . . ?
C160 C155 N23 119.8(9) . . ?
C156 C155 N23 120.2(9) . . ?
C155 C156 H156 120.0 . . ?
C157 C156 C155 120.0 . . ?
C157 C156 H156 120.0 . . ?
C156 C157 H157 120.0 . . ?
C156 C157 C158 120.0 . . ?
C158 C157 H157 120.0 . . ?
C157 C158 H158 120.0 . . ?
C159 C158 C157 120.0 . . ?
C159 C158 H158 120.0 . . ?
C160 C159 H159 120.0 . . ?
C158 C159 C160 120.0 . . ?
C158 C159 H159 120.0 . . ?
C150 C151 C152 120.0 . . ?
C150 C151 C154 122.7(10) . . ?
C152 C151 C154 117.3(10) . . ?
C151 C150 H150 120.0 . . ?
C151 C150 C149 120.0 . . ?
C149 C150 H150 120.0 . . ?
C150 C149 H149 120.0 . . ?
C150 C149 C148 120.0 . . ?
C148 C149 H149 120.0 . . ?
C149 C148 C153 120.0 . . ?
C149 C148 C147 118.8(12) . . ?
C153 C148 C147 121.2(12) . . ?
C148 C153 H153 120.0 . . ?
C152 C153 C148 120.0 . . ?
C152 C153 H153 120.0 . . ?
C151 C152 H152 120.0 . . ?
C153 C152 C151 120.0 . . ?
C153 C152 H152 120.0 . . ?
Pd1 N1 H1 106.0 . . ?
C1 N1 Pd1 111.2(10) . . ?
C1 N1 H1 106.0 . . ?
C42 N1 Pd1 116.7(10) . . ?
C42 N1 C1 110.2(14) . . ?
C42 N1 H1 106.0 . . ?
Pd7 N14 H14 109.2 . . ?
C91 N14 Pd7 112.4(13) . . ?
C91 N14 H14 109.2 . . ?
C91 N14 C90 113.3(16) . . ?
C90 N14 Pd7 103.4(9) . . ?
C90 N14 H14 109.2 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
N10 C63 C64 110.5(12) . . ?
N10 C63 H63A 109.5 . . ?
N10 C63 H63B 109.5 . . ?
H63A C63 H63B 108.1 . . ?
Pd12 N23 H23A 108.7 . . ?
C155 N23 Pd12 107.5(9) . . ?
C155 N23 H23A 108.7 . . ?
C155 N23 C154 115.0(14) . . ?
C154 N23 Pd12 108.1(10) . . ?
C154 N23 H23A 108.7 . . ?
Pd1 N2 H2 108.8 . . ?
C6 N2 Pd1 108.1(9) . . ?
C6 N2 H2 108.8 . . ?
C7 N2 Pd1 108.3(10) . . ?
C7 N2 C6 113.9(13) . . ?
C7 N2 H2 108.8 . . ?
N9 C56 H56A 108.1 . . ?
N9 C56 H56B 108.1 . . ?
N9 C56 C53 116.8(17) . . ?
H56A C56 H56B 107.3 . . ?
C53 C56 H56A 108.1 . . ?
C53 C56 H56B 108.1 . . ?
Pd2 N3 H3 106.7 . . ?
C14 N3 Pd2 115.6(12) . . ?
C14 N3 H3 106.7 . . ?
C14 N3 C15 111.5(14) . . ?
C15 N3 Pd2 109.0(9) . . ?
C15 N3 H3 106.7 . . ?
C41 C36 C37 121.7(15) . . ?
C41 C36 C35 116.7(16) . . ?
C37 C36 C35 121.4(15) . . ?
C148 C147 H14C 109.6 . . ?
C148 C147 H14D 109.6 . . ?
H14C C147 H14D 108.1 . . ?
N22 C147 C148 110.4(16) . . ?
N22 C147 H14C 109.6 . . ?
N22 C147 H14D 109.6 . . ?
C62 C61 H61 119.5 . . ?
C60 C61 H61 119.5 . . ?
C60 C61 C62 121.0(19) . . ?
Pd3 N5 H5 105.2 . . ?
C29 N5 Pd3 109.7(10) . . ?
C29 N5 H5 105.2 . . ?
C29 N5 C28 112.9(14) . . ?
C28 N5 Pd3 117.5(11) . . ?
C28 N5 H5 105.2 . . ?
C22 C27 H27 118.5 . . ?
C22 C27 C26 122.9(18) . . ?
C26 C27 H27 118.5 . . ?
C72 C71 N11 121.1(13) . . ?
C76 C71 N11 116.4(14) . . ?
C76 C71 C72 122.3(15) . . ?
C64 C69 H69 117.9 . . ?
C64 C69 C68 124.2(17) . . ?
C68 C69 H69 117.9 . . ?
N6 C35 H35A 109.6 . . ?
N6 C35 H35B 109.6 . . ?
C36 C35 N6 110.2(13) . . ?
C36 C35 H35A 109.6 . . ?
C36 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C30 C31 H31 117.6 . . ?
C32 C31 C30 125(2) . . ?
C32 C31 H31 117.6 . . ?
C79 C78 C77 118.9(15) . . ?
C79 C78 C83 117.8(14) . . ?
C83 C78 C77 123.2(15) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C52 C51 C50 120.4(19) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 C24 121.2(17) . . ?
C22 C23 H23 119.4 . . ?
C24 C25 C28 120.8(16) . . ?
C24 C25 C26 120.4(15) . . ?
C26 C25 C28 118.7(14) . . ?
C81 C82 H82 119.1 . . ?
C81 C82 C83 121.8(16) . . ?
C83 C82 H82 119.1 . . ?
C51 C50 C49 122(2) . . ?
C55 C50 C51 118.3(18) . . ?
C55 C50 C49 119(2) . . ?
N11 C70 H70A 109.0 . . ?
N11 C70 H70B 109.0 . . ?
H70A C70 H70B 107.8 . . ?
C67 C70 N11 113.0(12) . . ?
C67 C70 H70A 109.0 . . ?
C67 C70 H70B 109.0 . . ?
Pd11 N22 H22 104.9 . . ?
C147 N22 Pd11 122.4(16) . . ?
C147 N22 H22 104.9 . . ?
C146 N22 Pd11 107.3(11) . . ?
C146 N22 C147 110.9(15) . . ?
C146 N22 H22 104.9 . . ?
Pd9 N18 H18A 105.7 . . ?
C119 N18 Pd9 120.3(13) . . ?
C119 N18 H18A 105.7 . . ?
C119 N18 C118 112.4(15) . . ?
C118 N18 Pd9 106.0(10) . . ?
C118 N18 H18A 105.7 . . ?
C87 C88 H88 119.6 . . ?
C87 C88 C89 120.9(18) . . ?
C89 C88 H88 119.6 . . ?
C68 C67 C70 120.5(16) . . ?
C66 C67 C70 120.2(15) . . ?
C66 C67 C68 119.2(15) . . ?
C37 C38 H38 121.2 . . ?
C37 C38 C39 117.7(17) . . ?
C39 C38 H38 121.2 . . ?
C86 C85 N13 121.7(13) . . ?
C90 C85 N13 119.1(14) . . ?
C90 C85 C86 119.1(15) . . ?
N7 C84 H84A 107.8 . . ?
N7 C84 H84B 107.8 . . ?
N7 C84 C81 118.0(12) . . ?
H84A C84 H84B 107.1 . . ?
C81 C84 H84A 107.8 . . ?
C81 C84 H84B 107.8 . . ?
C46 C47 H47 121.0 . . ?
C46 C47 C48 118(2) . . ?
C48 C47 H47 121.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C45 C44 C43 120(2) . . ?
C85 C86 H86 121.4 . . ?
C87 C86 C85 117.1(17) . . ?
C87 C86 H86 121.4 . . ?
N12 C77 C78 115.4(13) . . ?
N12 C77 H77A 108.4 . . ?
N12 C77 H77B 108.4 . . ?
C78 C77 H77A 108.4 . . ?
C78 C77 H77B 108.4 . . ?
H77A C77 H77B 107.5 . . ?
C31 C32 H32 120.6 . . ?
C33 C32 C31 119(2) . . ?
C33 C32 H32 120.6 . . ?
N4 C21 C22 110.8(14) . . ?
N4 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
N7 C43 C44 120.5(16) . . ?
C48 C43 N7 120.0(18) . . ?
C48 C43 C44 119.5(19) . . ?
C151 C154 H15A 109.3 . . ?
C151 C154 H15B 109.3 . . ?
N23 C154 C151 111.6(14) . . ?
N23 C154 H15A 109.3 . . ?
N23 C154 H15B 109.3 . . ?
H15A C154 H15B 108.0 . . ?
N6 C34 C29 119.7(14) . . ?
C33 C34 N6 124.4(16) . . ?
C33 C34 C29 115.8(16) . . ?
C71 C72 H72 120.6 . . ?
C73 C72 C71 118.8(16) . . ?
C73 C72 H72 120.6 . . ?
C57 C58 H58 124.1 . . ?
C57 C58 C59 111.7(18) . . ?
C59 C58 H58 124.1 . . ?
C79 C80 H80 122.6 . . ?
C79 C80 C81 114.9(15) . . ?
C81 C80 H80 122.6 . . ?
C52 C53 C56 120.4(18) . . ?
C54 C53 C56 117.8(19) . . ?
C54 C53 C52 121.8(17) . . ?
C88 C87 C86 123(2) . . ?
C88 C87 H87 118.5 . . ?
C86 C87 H87 118.5 . . ?
N14 C91 H91A 108.2 . . ?
N14 C91 H91B 108.2 . . ?
N14 C91 C92 116.4(13) . . ?
H91A C91 H91B 107.3 . . ?
C92 C91 H91A 108.2 . . ?
C92 C91 H91B 108.2 . . ?
C82 C81 C84 119.6(15) . . ?
C82 C81 C80 122.3(16) . . ?
C80 C81 C84 117.6(16) . . ?
C141 C146 N22 116.7(11) . . ?
C141 C146 C145 120.0 . . ?
C145 C146 N22 123.3(11) . . ?
C146 C141 C142 120.0 . . ?
C146 C141 N21 118.3(11) . . ?
C142 C141 N21 121.7(11) . . ?
C141 C142 H142 120.0 . . ?
C141 C142 C143 120.0 . . ?
C143 C142 H142 120.0 . . ?
C142 C143 H143 120.0 . . ?
C144 C143 C142 120.0 . . ?
C144 C143 H143 120.0 . . ?
C143 C144 H144 120.0 . . ?
C143 C144 C145 120.0 . . ?
C145 C144 H144 120.0 . . ?
C146 C145 H145 120.0 . . ?
C144 C145 C146 120.0 . . ?
C144 C145 H145 120.0 . . ?
C41 C40 H40 119.6 . . ?
C39 C40 C41 120.8(18) . . ?
C39 C40 H40 119.6 . . ?
Pd4 N8 H8 107.1 . . ?
C48 N8 Pd4 105.1(13) . . ?
C48 N8 H8 107.1 . . ?
C48 N8 C49 117.7(19) . . ?
C49 N8 Pd4 112.3(15) . . ?
C49 N8 H8 107.1 . . ?
C50 C55 H55 117.6 . . ?
C50 C55 C54 124.9(18) . . ?
C54 C55 H55 117.6 . . ?
C32 C33 C34 122(2) . . ?
C32 C33 H33 118.8 . . ?
C34 C33 H33 118.8 . . ?
C88 C89 H89 121.2 . . ?
C88 C89 C90 117.7(14) . . ?
C90 C89 H89 121.2 . . ?
N5 C28 H28A 110.0 . . ?
N5 C28 H28B 110.0 . . ?
C25 C28 N5 108.5(14) . . ?
C25 C28 H28A 110.0 . . ?
C25 C28 H28B 110.0 . . ?
H28A C28 H28B 108.4 . . ?
C72 C73 H73 119.8 . . ?
C72 C73 C74 120.5(17) . . ?
C74 C73 H73 119.8 . . ?
C51 C52 C53 118.5(17) . . ?
C51 C52 H52 120.8 . . ?
C53 C52 H52 120.8 . . ?
C69 C68 C67 119.1(17) . . ?
C69 C68 H68 120.4 . . ?
C67 C68 H68 120.4 . . ?
N10 C62 C61 119.0(16) . . ?
C57 C62 N10 127.1(18) . . ?
C57 C62 C61 113.8(17) . . ?
N3 C14 H14A 109.7 . . ?
N3 C14 H14B 109.7 . . ?
N3 C14 C11 109.9(13) . . ?
H14A C14 H14B 108.2 . . ?
C11 C14 H14A 109.7 . . ?
C11 C14 H14B 109.7 . . ?
C58 C57 N9 115.7(15) . . ?
C62 C57 N9 112.8(15) . . ?
C62 C57 C58 131.5(19) . . ?
C71 C76 N12 121.4(16) . . ?
C71 C76 C75 119.3(16) . . ?
C75 C76 N12 119.1(16) . . ?
C10 C11 C14 122.3(10) . . ?
C10 C11 C12 120.0 . . ?
C12 C11 C14 117.6(10) . . ?
C11 C10 H10A 120.0 . . ?
C11 C10 C9 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C8 C13 120.0 . . ?
C9 C8 C7 124.1(11) . . ?
C13 C8 C7 115.8(11) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C58 C59 H59 119.8 . . ?
C60 C59 C58 120(2) . . ?
C60 C59 H59 119.8 . . ?
C73 C74 H74 122.0 . . ?
C75 C74 C73 115.9(18) . . ?
C75 C74 H74 122.0 . . ?
C61 C60 C59 121(2) . . ?
C61 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C4 C3 C2 121(2) . . ?
C27 C26 H26 122.5 . . ?
C25 C26 C27 115.0(16) . . ?
C25 C26 H26 122.5 . . ?
N24 C161 H16B 109.2 . . ?
N24 C161 H16C 109.2 . . ?
H16B C161 H16C 107.9 . . ?
C162 C161 N24 112.2(13) . . ?
C162 C161 H16B 109.2 . . ?
C162 C161 H16C 109.2 . . ?
N1 C42 H42A 108.6 . . ?
N1 C42 H42B 108.6 . . ?
H42A C42 H42B 107.6 . . ?
C39 C42 N1 114.6(13) . . ?
C39 C42 H42A 108.6 . . ?
C39 C42 H42B 108.6 . . ?
C47 C46 H46 120.0 . . ?
C47 C46 C45 120(2) . . ?
C45 C46 H46 120.0 . . ?
C65 C66 H66 119.2 . . ?
C67 C66 C65 121.7(16) . . ?
C67 C66 H66 119.2 . . ?
C1 C2 C3 118(2) . . ?
C1 C2 H2A 121.2 . . ?
C3 C2 H2A 121.2 . . ?
C78 C83 H83 120.3 . . ?
C82 C83 C78 119.4(16) . . ?
C82 C83 H83 120.3 . . ?
C96 C97 H97 120.0 . . ?
C96 C97 C92 120.0 . . ?
C92 C97 H97 120.0 . . ?
C97 C96 H96 120.0 . . ?
C97 C96 C95 120.0 . . ?
C95 C96 H96 120.0 . . ?
C96 C95 C98 119.2(6) . . ?
C94 C95 C96 120.0 . . ?
C94 C95 C98 120.7(5) . . ?
C95 C94 H94 120.0 . . ?
C93 C94 C95 120.0 . . ?
C93 C94 H94 120.0 . . ?
C94 C93 H93 120.0 . . ?
C94 C93 C92 120.0 . . ?
C92 C93 H93 120.0 . . ?
C97 C92 C91 116.3(13) . . ?
C93 C92 C91 123.6(13) . . ?
C93 C92 C97 120.0 . . ?
C123 C126 H12B 107.4 . . ?
C123 C126 H12C 107.4 . . ?
N13 C126 C123 119.7(17) . . ?
N13 C126 H12B 107.4 . . ?
N13 C126 H12C 107.4 . . ?
H12B C126 H12C 106.9 . . ?
C3 C4 H4A 121.0 . . ?
C3 C4 C5 118(2) . . ?
C5 C4 H4A 121.0 . . ?
C165 C166 H166 120.0 . . ?
C165 C166 C167 120.0 . . ?
C167 C166 H166 120.0 . . ?
C166 C165 C164 120.0 . . ?
C166 C165 C168 115(2) . . ?
C164 C165 C168 125(2) . . ?
C165 C164 H164 120.0 . . ?
C165 C164 C163 120.0 . . ?
C163 C164 H164 120.0 . . ?
C164 C163 H163 120.0 . . ?
C162 C163 C164 120.0 . . ?
C162 C163 H163 120.0 . . ?
C163 C162 C161 117.7(15) . . ?
C163 C162 C167 120.0 . . ?
C167 C162 C161 122.3(15) . . ?
C166 C167 H167 120.0 . . ?
C162 C167 C166 120.0 . . ?
C162 C167 H167 120.0 . . ?
C85 C90 N14 120.4(14) . . ?
C85 C90 C89 121.7(16) . . ?
C89 C90 N14 117.9(13) . . ?
C120 C119 H11A 108.5 . . ?
C120 C119 H11B 108.5 . . ?
N18 C119 C120 114.9(16) . . ?
N18 C119 H11A 108.5 . . ?
N18 C119 H11B 108.5 . . ?
H11A C119 H11B 107.5 . . ?
C43 C48 C47 123(2) . . ?
C43 C48 N8 123(2) . . ?
N8 C48 C47 114.1(19) . . ?
C6 C5 C4 119(2) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C76 C75 C74 122.4(19) . . ?
C76 C75 H75 118.8 . . ?
C74 C75 H75 118.8 . . ?
C53 C54 C55 116.0(19) . . ?
C53 C54 H54 122.0 . . ?
C55 C54 H54 122.0 . . ?
N2 C7 H7A 108.6 . . ?
N2 C7 H7B 108.6 . . ?
C8 C7 N2 114.7(13) . . ?
C8 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C40 C39 C38 120.0(14) . . ?
C40 C39 C42 120.3(16) . . ?
C42 C39 C38 119.7(16) . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 N4 120.9(11) . . ?
C19 C20 C15 120.0 . . ?
C15 C20 N4 119.0(11) . . ?
C20 C15 N3 116.8(11) . . ?
C16 C15 N3 122.0(11) . . ?
C16 C15 C20 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C44 C45 C46 118(2) . . ?
C44 C45 H45 120.9 . . ?
C46 C45 H45 120.9 . . ?
H14E C140 H14F 107.4 . . ?
N21 C140 H14E 108.3 . . ?
N21 C140 H14F 108.3 . . ?
C137 C140 H14E 108.3 . . ?
C137 C140 H14F 108.3 . . ?
C137 C140 N21 116(2) . . ?
Pd11 N21 H21 107.1 . . ?
C141 N21 Pd11 105.4(12) . . ?
C141 N21 C140 110.5(15) . . ?
C141 N21 H21 107.1 . . ?
C140 N21 Pd11 119.0(15) . . ?
C140 N21 H21 107.1 . . ?
C50 C49 N8 112.1(16) . . ?
C50 C49 H49A 109.2 . . ?
C50 C49 H49B 109.2 . . ?
N8 C49 H49A 109.2 . . ?
N8 C49 H49B 109.2 . . ?
H49A C49 H49B 107.9 . . ?
C118 C113 C114 120.0 . . ?
C118 C113 N17 126.8(12) . . ?
C114 C113 N17 113.1(12) . . ?
C113 C118 N18 114.1(11) . . ?
C117 C118 N18 125.9(11) . . ?
C117 C118 C113 120.0 . . ?
C118 C117 H117 120.0 . . ?
C118 C117 C116 120.0 . . ?
C116 C117 H117 120.0 . . ?
C117 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 C116 120.0 . . ?
C114 C115 H115 120.0 . . ?
C113 C114 H114 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
H11C C112 H11D 107.9 . . ?
C109 C112 H11C 109.2 . . ?
C109 C112 H11D 109.2 . . ?
N17 C112 H11C 109.2 . . ?
N17 C112 H11D 109.2 . . ?
N17 C112 C109 112(2) . . ?
C95 C98 H98A 110.4 . . ?
C95 C98 H98B 110.4 . . ?
C95 C98 N15 106.8(15) . . ?
H98A C98 H98B 108.6 . . ?
N15 C98 H98A 110.4 . . ?
N15 C98 H98B 110.4 . . ?
Pd8 N15 H15 112.7 . . ?
C98 N15 Pd8 105.0(14) . . ?
C98 N15 H15 112.7 . . ?
C99 N15 Pd8 100.3(10) . . ?
C99 N15 C98 112.4(16) . . ?
C99 N15 H15 112.7 . . ?
C165 C168 H16D 108.1 . . ?
C165 C168 H16E 108.1 . . ?
C165 C168 N19 117(2) . . ?
H16D C168 H16E 107.3 . . ?
N19 C168 H16D 108.1 . . ?
N19 C168 H16E 108.1 . . ?
Pd8 N16 H16A 104.0 . . ?
C105 N16 Pd8 125.9(17) . . ?
C105 N16 H16A 104.0 . . ?
C105 N16 C104 114.7(17) . . ?
C104 N16 Pd8 101.8(11) . . ?
C104 N16 H16A 104.0 . . ?
C134 C139 H139 120.0 . . ?
C134 C139 C138 120.0 . . ?
C138 C139 H139 120.0 . . ?
C139 C134 C133 118.9(9) . . ?
C135 C134 C139 120.0 . . ?
C135 C134 C133 120.8(9) . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 C140 119.1(16) . . ?
C136 C137 C138 120.0 . . ?
C138 C137 C140 120.9(16) . . ?
C139 C138 H138 120.0 . . ?
C137 C138 C139 120.0 . . ?
C137 C138 H138 120.0 . . ?
N16 C105 H10B 111.6 . . ?
N16 C105 H10C 111.6 . . ?
H10B C105 H10C 109.4 . . ?
C106 C105 N16 101(2) . . ?
C106 C105 H10B 111.6 . . ?
C106 C105 H10C 111.6 . . ?
Pd10 N20 H20 100.0 . . ?
C133 N20 Pd10 123.8(18) . . ?
C133 N20 H20 100.0 . . ?
C133 N20 C132 120(2) . . ?
C132 N20 Pd10 107.3(15) . . ?
C132 N20 H20 100.0 . . ?
C134 C133 H13B 110.7 . . ?
C134 C133 H13C 110.7 . . ?
N20 C133 C134 105(2) . . ?
N20 C133 H13B 110.7 . . ?
N20 C133 H13C 110.7 . . ?
H13B C133 H13C 108.8 . . ?
Pd10 N19 H19A 106.7 . . ?
C168 N19 Pd10 111.8(17) . . ?
C168 N19 H19A 106.7 . . ?
C127 N19 Pd10 109.0(14) . . ?
C127 N19 C168 115(3) . . ?
C127 N19 H19A 106.7 . . ?
C108 C109 C112 124.9(14) . . ?
C108 C109 C110 120.0 . . ?
C110 C109 C112 114.6(14) . . ?
C109 C108 H108 120.0 . . ?
C107 C108 C109 120.0 . . ?
C107 C108 H108 120.0 . . ?
C108 C107 H107 120.0 . . ?
C106 C107 C108 120.0 . . ?
C106 C107 H107 120.0 . . ?
C107 C106 C105 119.2(17) . . ?
C107 C106 C111 120.0 . . ?
C111 C106 C105 119.4(16) . . ?
C106 C111 H111 120.0 . . ?
C110 C111 C106 120.0 . . ?
C110 C111 H111 120.0 . . ?
C109 C110 H110 120.0 . . ?
C111 C110 C109 120.0 . . ?
C111 C110 H110 120.0 . . ?
Pd9 N17 H17A 108.2 . . ?
C113 N17 Pd9 100.2(11) . . ?
C113 N17 C112 114.4(19) . . ?
C113 N17 H17A 108.2 . . ?
C112 N17 Pd9 117.1(16) . . ?
C112 N17 H17A 108.2 . . ?
C132 C127 N19 111.1(19) . . ?
C132 C127 C128 120.0 . . ?
C128 C127 N19 128.6(18) . . ?
C127 C132 N20 118.7(17) . . ?
C127 C132 C131 120.0 . . ?
C131 C132 N20 121.0(17) . . ?
C132 C131 H131 120.0 . . ?
C130 C131 C132 120.0 . . ?
C130 C131 H131 120.0 . . ?
C131 C130 H130 120.0 . . ?
C131 C130 C129 120.0 . . ?
C129 C130 H130 120.0 . . ?
C130 C129 H129 120.0 . . ?
C128 C129 C130 120.0 . . ?
C128 C129 H129 120.0 . . ?
C127 C128 H128 120.0 . . ?
C129 C128 C127 120.0 . . ?
C129 C128 H128 120.0 . . ?
C103 C104 N16 119.2(13) . . ?
C103 C104 C99 120.0 . . ?
C99 C104 N16 120.7(13) . . ?
C104 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C101 H101 120.0 . . ?
C100 C101 C102 120.0 . . ?
C100 C101 H101 120.0 . . ?
C101 C100 H100 120.0 . . ?
C101 C100 C99 120.0 . . ?
C99 C100 H100 120.0 . . ?
C104 C99 N15 117.4(12) . . ?
C100 C99 N15 121.7(12) . . ?
C100 C99 C104 120.0 . . ?
C2G C3G H3G 110.7 . . ?
C4G C3G H3G 110.7 . . ?
C4G C3G C2G 115(3) . . ?
C4G C3G C5G 98(3) . . ?
C5G C3G H3G 110.7 . . ?
C5G C3G C2G 111(3) . . ?
O1G C1G H1G 117.8 . . ?
O1G C1G C2G 124(4) . . ?
C2G C1G H1G 117.8 . . ?
C3G C2G H2GA 107.9 . . ?
C3G C2G H2GB 107.9 . . ?
C1G C2G C3G 118(3) . . ?
C1G C2G H2GA 107.9 . . ?
C1G C2G H2GB 107.9 . . ?
H2GA C2G H2GB 107.2 . . ?
C3G C4G H4GA 109.5 . . ?
C3G C4G H4GB 109.5 . . ?
C3G C4G H4GC 109.5 . . ?
H4GA C4G H4GB 109.5 . . ?
H4GA C4G H4GC 109.5 . . ?
H4GB C4G H4GC 109.5 . . ?
H6GA C6G H6GB 108.6 . . ?
C5G C6G H6GA 110.5 . . ?
C5G C6G H6GB 110.5 . . ?
C7G C6G H6GA 110.5 . . ?
C7G C6G H6GB 110.5 . . ?
C7G C6G C5G 106(3) . . ?
C3G C5G C6G 109(3) . . ?
C3G C5G H5GA 109.8 . . ?
C3G C5G H5GB 109.8 . . ?
C6G C5G H5GA 109.8 . . ?
C6G C5G H5GB 109.8 . . ?
H5GA C5G H5GB 108.2 . . ?
C6G C7G H7G 117.4 . . ?
C8G C7G C6G 125(3) . . ?
C8G C7G H7G 117.4 . . ?
H10D C10G H10E 109.5 . . ?
H10D C10G H10F 109.5 . . ?
H10E C10G H10F 109.5 . . ?
C8G C10G H10D 109.5 . . ?
C8G C10G H10E 109.5 . . ?
C8G C10G H10F 109.5 . . ?
C7G C8G C10G 119(3) . . ?
C7G C8G C9G 125(3) . . ?
C9G C8G C10G 115(3) . . ?
C8G C9G H9GA 109.5 . . ?
C8G C9G H9GB 109.5 . . ?
C8G C9G H9GC 109.5 . . ?
H9GA C9G H9GB 109.5 . . ?
H9GA C9G H9GC 109.5 . . ?
H9GB C9G H9GC 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
Pd6 N11 C71 C72 -156.6(11) . . . . ?
Pd6 N11 C71 C76 19.4(14) . . . . ?
Pd6 N11 C70 C67 169.8(12) . . . . ?
Pd6 N12 C77 C78 55.8(17) . . . . ?
Pd6 N12 C76 C71 -6.0(16) . . . . ?
Pd6 N12 C76 C75 168.7(12) . . . . ?
Pd3 N6 C35 C36 -171.0(11) . . . . ?
Pd3 N6 C34 C29 -22.5(15) . . . . ?
Pd3 N6 C34 C33 157.6(12) . . . . ?
Pd3 N5 C28 C25 -53.5(16) . . . . ?
Pd1 N1 C42 C39 -49(2) . . . . ?
Pd1 N2 C7 C8 -165.0(12) . . . . ?
Pd7 N13 C85 C86 -158.4(13) . . . . ?
Pd7 N13 C85 C90 18.7(18) . . . . ?
Pd7 N13 C126 C123 173.0(12) . . . . ?
Pd7 N14 C91 C92 46(2) . . . . ?
Pd7 N14 C90 C85 -8.4(19) . . . . ?
Pd7 N14 C90 C89 171.2(14) . . . . ?
Pd4 N7 C84 C81 172.1(13) . . . . ?
Pd4 N7 C43 C44 -161.7(14) . . . . ?
Pd4 N7 C43 C48 20(2) . . . . ?
Pd4 N8 C48 C47 171.4(14) . . . . ?
Pd4 N8 C48 C43 -4(2) . . . . ?
Pd4 N8 C49 C50 50(3) . . . . ?
Pd2 N4 C21 C22 -177.5(14) . . . . ?
Pd2 N4 C20 C19 163.3(8) . . . . ?
Pd2 N4 C20 C15 -18.1(13) . . . . ?
Pd2 N3 C14 C11 -48.6(17) . . . . ?
Pd2 N3 C15 C20 -1.2(13) . . . . ?
Pd2 N3 C15 C16 -168.8(8) . . . . ?
Pd12 N24 C160 C155 9.0(14) . . . . ?
Pd12 N24 C160 C159 -165.0(8) . . . . ?
Pd12 N24 C161 C162 -43(2) . . . . ?
Pd12 N23 C154 C151 -174.3(10) . . . . ?
Pd5 N10 C63 C64 55.6(17) . . . . ?
Pd5 N10 C62 C61 174.0(11) . . . . ?
Pd5 N10 C62 C57 -7.6(17) . . . . ?
Pd5 N9 C56 C53 160.9(17) . . . . ?
Pd5 N9 C57 C58 -163.0(12) . . . . ?
Pd5 N9 C57 C62 17.3(15) . . . . ?
Pd9 N18 C119 C120 -65(2) . . . . ?
Pd9 N18 C118 C113 15.7(12) . . . . ?
Pd9 N18 C118 C117 -166.5(6) . . . . ?
Pd11 N22 C146 C141 -16.1(14) . . . . ?
Pd11 N22 C146 C145 163.8(7) . . . . ?
Pd10 N20 C133 C134 -51(2) . . . . ?
Pd10 N20 C132 C127 10(2) . . . . ?
Pd10 N20 C132 C131 -163.3(14) . . . . ?
Pd10 N19 C127 C132 -27(2) . . . . ?
Pd10 N19 C127 C128 158.9(16) . . . . ?
Pd8 N15 C99 C104 25.4(17) . . . . ?
Pd8 N15 C99 C100 -165.3(12) . . . . ?
Pd8 N16 C105 C106 43(2) . . . . ?
Pd8 N16 C104 C103 169.5(11) . . . . ?
Pd8 N16 C104 C99 -7.5(19) . . . . ?
N11 C71 C72 C73 -173.4(13) . . . . ?
N11 C71 C76 N12 -9.2(19) . . . . ?
N11 C71 C76 C75 176.1(14) . . . . ?
N11 C70 C67 C68 96.8(17) . . . . ?
N11 C70 C67 C66 -79.9(19) . . . . ?
C6 C1 N1 Pd1 3.8(15) . . . . ?
C6 C1 N1 C42 -127.3(13) . . . . ?
C6 C1 C2 C3 7(3) . . . . ?
C6 N2 C7 C8 74.8(17) . . . . ?
N12 C76 C75 C74 -174.4(14) . . . . ?
C64 C65 C66 C67 -2(3) . . . . ?
C64 C69 C68 C67 -4(2) . . . . ?
N10 C62 C57 N9 -7(2) . . . . ?
N10 C62 C57 C58 173.7(16) . . . . ?
N4 C20 C15 N3 13.6(14) . . . . ?
N4 C20 C15 C16 -178.6(14) . . . . ?
C30 C29 N5 Pd3 -168.6(13) . . . . ?
C30 C29 N5 C28 58.3(19) . . . . ?
C30 C29 C34 N6 -173.0(15) . . . . ?
C30 C29 C34 C33 7(2) . . . . ?
C30 C31 C32 C33 0(3) . . . . ?
C120 C125 C124 C123 0.0 . . . . ?
C125 C120 C121 C122 0.0 . . . . ?
C125 C120 C119 N18 89.1(18) . . . . ?
C125 C124 C123 C122 0.0 . . . . ?
C125 C124 C123 C126 -174.0(14) . . . . ?
C124 C123 C122 C121 0.0 . . . . ?
C124 C123 C126 N13 101.2(17) . . . . ?
C123 C122 C121 C120 0.0 . . . . ?
C122 C123 C126 N13 -72.9(19) . . . . ?
C121 C120 C125 C124 0.0 . . . . ?
C121 C120 C119 N18 -88.4(18) . . . . ?
N13 C85 C86 C87 -175.9(17) . . . . ?
N13 C85 C90 N14 -7(2) . . . . ?
N13 C85 C90 C89 173.3(17) . . . . ?
N6 C34 C33 C32 172.3(15) . . . . ?
C79 C78 C77 N12 -97.0(18) . . . . ?
C79 C78 C83 C82 0(2) . . . . ?
C79 C80 C81 C82 0(2) . . . . ?
C79 C80 C81 C84 172.2(13) . . . . ?
C41 C36 C35 N6 83.5(18) . . . . ?
C41 C40 C39 C38 -1(2) . . . . ?
C41 C40 C39 C42 -179.8(15) . . . . ?
C37 C36 C35 N6 -91.7(17) . . . . ?
C37 C38 C39 C40 -4(2) . . . . ?
C37 C38 C39 C42 174.7(14) . . . . ?
N9 C56 C53 C52 95(2) . . . . ?
N9 C56 C53 C54 -84(3) . . . . ?
C65 C64 C63 N10 -108.1(18) . . . . ?
C65 C64 C69 C68 3(2) . . . . ?
C24 C25 C28 N5 -89(2) . . . . ?
C24 C25 C26 C27 -1(2) . . . . ?
C22 C27 C26 C25 6(3) . . . . ?
N24 C160 C155 C156 -174.3(14) . . . . ?
N24 C160 C155 N23 5.7(14) . . . . ?
N24 C160 C159 C158 173.8(15) . . . . ?
N24 C161 C162 C163 -97.4(17) . . . . ?
N24 C161 C162 C167 84.2(19) . . . . ?
N7 C84 C81 C82 100.2(19) . . . . ?
N7 C84 C81 C80 -72(2) . . . . ?
N7 C43 C48 C47 173.9(18) . . . . ?
N7 C43 C48 N8 -11(3) . . . . ?
C29 C30 C31 C32 0(3) . . . . ?
C29 N5 C28 C25 75.7(18) . . . . ?
C29 C34 C33 C32 -7(2) . . . . ?
C1 C6 N2 Pd1 -15.2(15) . . . . ?
C1 C6 N2 C7 105.1(15) . . . . ?
C1 C6 C5 C4 0(3) . . . . ?
C1 N1 C42 C39 79(2) . . . . ?
C160 N24 C161 C162 83(2) . . . . ?
C160 C155 C156 C157 0.0 . . . . ?
C160 C155 N23 Pd12 -17.0(13) . . . . ?
C160 C155 N23 C154 103.5(13) . . . . ?
C155 C160 C159 C158 0.0 . . . . ?
C155 C156 C157 C158 0.0 . . . . ?
C155 N23 C154 C151 65.6(16) . . . . ?
C156 C155 N23 Pd12 163.0(7) . . . . ?
C156 C155 N23 C154 -76.5(14) . . . . ?
C156 C157 C158 C159 0.0 . . . . ?
C157 C158 C159 C160 0.0 . . . . ?
C159 C160 C155 C156 0.0 . . . . ?
C159 C160 C155 N23 180.0(14) . . . . ?
C151 C150 C149 C148 0.0 . . . . ?
C150 C151 C152 C153 0.0 . . . . ?
C150 C151 C154 N23 -101.6(14) . . . . ?
C150 C149 C148 C153 0.0 . . . . ?
C150 C149 C148 C147 179.6(13) . . . . ?
C149 C148 C153 C152 0.0 . . . . ?
C149 C148 C147 N22 -91.1(18) . . . . ?
C148 C153 C152 C151 0.0 . . . . ?
C148 C147 N22 Pd11 65(2) . . . . ?
C148 C147 N22 C146 -63(2) . . . . ?
C153 C148 C147 N22 88.5(18) . . . . ?
C152 C151 C150 C149 0.0 . . . . ?
C152 C151 C154 N23 77.7(14) . . . . ?
N1 C1 C2 C3 177.0(14) . . . . ?
N1 C42 C39 C38 -77(2) . . . . ?
N1 C42 C39 C40 102(2) . . . . ?
N14 C91 C92 C97 -88.3(19) . . . . ?
N14 C91 C92 C93 88.4(19) . . . . ?
C63 C64 C65 C66 179.5(15) . . . . ?
C63 C64 C69 C68 -176.4(15) . . . . ?
C63 N10 C62 C61 -52.9(18) . . . . ?
C63 N10 C62 C57 125.6(17) . . . . ?
N23 C155 C156 C157 -180.0(14) . . . . ?
N2 C6 C1 N1 7.8(18) . . . . ?
N2 C6 C1 C2 178.3(14) . . . . ?
N2 C6 C5 C4 179.7(16) . . . . ?
C56 N9 C57 C58 74.2(19) . . . . ?
C56 N9 C57 C62 -105.5(16) . . . . ?
C56 C53 C52 C51 179.5(18) . . . . ?
C56 C53 C54 C55 178.8(16) . . . . ?
N3 C14 C11 C10 -85.9(15) . . . . ?
N3 C14 C11 C12 89.3(14) . . . . ?
N3 C15 C16 C17 167.2(14) . . . . ?
C36 C41 C40 C39 5(2) . . . . ?
C36 C37 C38 C39 5(2) . . . . ?
C147 C148 C153 C152 -179.6(13) . . . . ?
C147 N22 C146 C141 119.8(16) . . . . ?
C147 N22 C146 C145 -60(2) . . . . ?
C61 C62 C57 N9 171.8(13) . . . . ?
C61 C62 C57 C58 -8(2) . . . . ?
N5 C29 C34 N6 10.1(19) . . . . ?
N5 C29 C34 C33 -170.0(13) . . . . ?
C27 C22 C23 C24 4(2) . . . . ?
C27 C22 C21 N4 75(2) . . . . ?
C71 N11 C70 C67 -68.0(17) . . . . ?
C71 C72 C73 C74 -6(2) . . . . ?
C71 C76 C75 C74 0(2) . . . . ?
C69 C64 C65 C66 0(2) . . . . ?
C69 C64 C63 N10 71(2) . . . . ?
C35 N6 C34 C29 102.4(16) . . . . ?
C35 N6 C34 C33 -77.4(18) . . . . ?
C31 C30 C29 N5 173.5(14) . . . . ?
C31 C30 C29 C34 -3(2) . . . . ?
C31 C32 C33 C34 4(3) . . . . ?
C78 C79 C80 C81 0(2) . . . . ?
C51 C50 C55 C54 -5(3) . . . . ?
C51 C50 C49 N8 87(3) . . . . ?
C23 C24 C25 C28 -179.9(16) . . . . ?
C23 C24 C25 C26 -3(3) . . . . ?
C23 C22 C27 C26 -8(3) . . . . ?
C23 C22 C21 N4 -96(2) . . . . ?
C25 C24 C23 C22 1(3) . . . . ?
C50 C51 C52 C53 1(3) . . . . ?
C50 C55 C54 C53 3(3) . . . . ?
C70 N11 C71 C72 77.9(16) . . . . ?
C70 N11 C71 C76 -106.1(14) . . . . ?
C70 C67 C68 C69 -174.6(14) . . . . ?
C70 C67 C66 C65 177.6(15) . . . . ?
N22 C146 C141 C142 179.9(13) . . . . ?
N22 C146 C141 N21 0.0(16) . . . . ?
N22 C146 C145 C144 -179.9(14) . . . . ?
N18 C118 C117 C116 -177.8(14) . . . . ?
C88 C89 C90 N14 -174.1(18) . . . . ?
C88 C89 C90 C85 5(3) . . . . ?
C38 C37 C36 C41 0(2) . . . . ?
C38 C37 C36 C35 174.8(15) . . . . ?
C85 N13 C126 C123 -64(2) . . . . ?
C85 C86 C87 C88 -1(3) . . . . ?
C84 N7 C43 C44 72(2) . . . . ?
C84 N7 C43 C48 -106(2) . . . . ?
C47 C46 C45 C44 -4(4) . . . . ?
C44 C43 C48 C47 -5(3) . . . . ?
C44 C43 C48 N8 170.4(16) . . . . ?
C86 C85 C90 N14 170.1(16) . . . . ?
C86 C85 C90 C89 -9(3) . . . . ?
C77 N12 C76 C71 117.6(16) . . . . ?
C77 N12 C76 C75 -67.7(18) . . . . ?
C77 C78 C83 C82 -177.3(15) . . . . ?
C21 N4 C20 C19 -77.3(16) . . . . ?
C21 N4 C20 C15 101.3(14) . . . . ?
C21 C22 C27 C26 -179.5(16) . . . . ?
C21 C22 C23 C24 175.0(15) . . . . ?
C43 N7 C84 C81 -66(2) . . . . ?
C43 C44 C45 C46 -6(3) . . . . ?
C154 C151 C150 C149 179.3(12) . . . . ?
C154 C151 C152 C153 -179.3(12) . . . . ?
C34 N6 C35 C36 65.7(19) . . . . ?
C34 C29 N5 Pd3 8.3(14) . . . . ?
C34 C29 N5 C28 -124.8(15) . . . . ?
C72 C71 C76 N12 166.8(13) . . . . ?
C72 C71 C76 C75 -8(2) . . . . ?
C72 C73 C74 C75 -1(2) . . . . ?
C58 C59 C60 C61 6(4) . . . . ?
C80 C79 C78 C77 177.2(14) . . . . ?
C80 C79 C78 C83 0(2) . . . . ?
C87 C88 C89 C90 1(3) . . . . ?
C91 N14 C90 C85 113.6(18) . . . . ?
C91 N14 C90 C89 -67(2) . . . . ?
C81 C82 C83 C78 1(3) . . . . ?
C146 C141 C142 C143 0.0 . . . . ?
C146 C141 N21 Pd11 16.0(14) . . . . ?
C146 C141 N21 C140 -113.8(17) . . . . ?
C141 C146 C145 C144 0.0 . . . . ?
C141 C142 C143 C144 0.0 . . . . ?
C142 C141 N21 Pd11 -164.0(7) . . . . ?
C142 C141 N21 C140 66.3(19) . . . . ?
C142 C143 C144 C145 0.0 . . . . ?
C143 C144 C145 C146 0.0 . . . . ?
C145 C146 C141 C142 0.0 . . . . ?
C145 C146 C141 N21 -179.9(13) . . . . ?
C40 C41 C36 C37 -5(2) . . . . ?
C40 C41 C36 C35 179.7(14) . . . . ?
C55 C50 C49 N8 -89(3) . . . . ?
C89 C88 C87 C86 -3(3) . . . . ?
C28 C25 C26 C27 176.5(16) . . . . ?
C73 C74 C75 C76 4(2) . . . . ?
C52 C51 C50 C55 3(3) . . . . ?
C52 C51 C50 C49 -173.8(18) . . . . ?
C52 C53 C54 C55 0(3) . . . . ?
C68 C67 C66 C65 1(2) . . . . ?
C62 N10 C63 C64 -75(2) . . . . ?
C62 C61 C60 C59 -8(3) . . . . ?
C14 N3 C15 C20 -130.1(12) . . . . ?
C14 N3 C15 C16 62.4(16) . . . . ?
C14 C11 C10 C9 175.1(12) . . . . ?
C14 C11 C12 C13 -175.3(11) . . . . ?
C57 N9 C56 C53 -77(2) . . . . ?
C57 C58 C59 C60 -4(3) . . . . ?
C76 N12 C77 C78 -65(2) . . . . ?
C76 C71 C72 C73 11(2) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C10 C9 C8 C13 0.0 . . . . ?
C10 C9 C8 C7 -176.4(12) . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C9 C8 C7 N2 -99.2(15) . . . . ?
C8 C13 C12 C11 0.0 . . . . ?
C13 C8 C7 N2 84.3(16) . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C59 C58 C57 N9 -174.3(17) . . . . ?
C59 C58 C57 C62 5(3) . . . . ?
C60 C61 C62 N10 -172.5(16) . . . . ?
C60 C61 C62 C57 9(2) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
C26 C25 C28 N5 93.9(18) . . . . ?
C161 N24 C160 C155 -120.1(12) . . . . ?
C161 N24 C160 C159 65.9(16) . . . . ?
C161 C162 C167 C166 178.4(13) . . . . ?
C46 C47 C48 C43 -5(4) . . . . ?
C46 C47 C48 N8 179(2) . . . . ?
C66 C67 C68 C69 2(2) . . . . ?
C2 C1 N1 Pd1 -166.8(12) . . . . ?
C2 C1 N1 C42 62.0(18) . . . . ?
C2 C3 C4 C5 8(3) . . . . ?
C83 C78 C77 N12 80(2) . . . . ?
C83 C82 C81 C84 -172.4(15) . . . . ?
C83 C82 C81 C80 -1(2) . . . . ?
C97 C96 C95 C94 0.0 . . . . ?
C97 C96 C95 C98 176.2(15) . . . . ?
C96 C97 C92 C91 176.8(13) . . . . ?
C96 C97 C92 C93 0.0 . . . . ?
C96 C95 C94 C93 0.0 . . . . ?
C96 C95 C98 N15 -77.1(17) . . . . ?
C95 C94 C93 C92 0.0 . . . . ?
C95 C98 N15 Pd8 -175.1(10) . . . . ?
C95 C98 N15 C99 -67.0(18) . . . . ?
C94 C95 C98 N15 99.1(16) . . . . ?
C94 C93 C92 C91 -176.6(14) . . . . ?
C94 C93 C92 C97 0.0 . . . . ?
C92 C97 C96 C95 0.0 . . . . ?
C126 C123 C122 C121 174.3(13) . . . . ?
C126 N13 C85 C86 74(2) . . . . ?
C126 N13 C85 C90 -109.2(18) . . . . ?
C4 C3 C2 C1 -10(3) . . . . ?
C166 C165 C164 C163 0.0 . . . . ?
C166 C165 C168 N19 86(4) . . . . ?
C165 C166 C167 C162 0.0 . . . . ?
C165 C164 C163 C162 0.0 . . . . ?
C165 C168 N19 Pd10 172(3) . . . . ?
C165 C168 N19 C127 47(5) . . . . ?
C164 C165 C168 N19 -89(4) . . . . ?
C164 C163 C162 C161 -178.5(12) . . . . ?
C164 C163 C162 C167 0.0 . . . . ?
C163 C162 C167 C166 0.0 . . . . ?
C167 C166 C165 C164 0.0 . . . . ?
C167 C166 C165 C168 -175.8(18) . . . . ?
C90 N14 C91 C92 -71(2) . . . . ?
C90 C85 C86 C87 7(2) . . . . ?
C119 C120 C125 C124 -177.4(13) . . . . ?
C119 C120 C121 C122 177.4(13) . . . . ?
C119 N18 C118 C113 -117.6(14) . . . . ?
C119 N18 C118 C117 60.2(17) . . . . ?
C48 C47 C46 C45 10(4) . . . . ?
C48 N8 C49 C50 -72(3) . . . . ?
C5 C6 C1 N1 -172.9(15) . . . . ?
C5 C6 C1 C2 -2(2) . . . . ?
C5 C6 N2 Pd1 165.5(14) . . . . ?
C5 C6 N2 C7 -74.2(19) . . . . ?
C54 C53 C52 C51 -2(3) . . . . ?
C7 C8 C13 C12 176.7(11) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C17 C16 C15 0.0 . . . . ?
C18 C19 C20 N4 178.6(14) . . . . ?
C18 C19 C20 C15 0.0 . . . . ?
C19 C20 C15 N3 -167.8(13) . . . . ?
C19 C20 C15 C16 0.0 . . . . ?
C20 N4 C21 C22 62(2) . . . . ?
C20 C15 C16 C17 0.0 . . . . ?
C15 N3 C14 C11 76.6(17) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C45 C44 C43 N7 -169(2) . . . . ?
C45 C44 C43 C48 10(3) . . . . ?
C140 C137 C138 C139 179(2) . . . . ?
N21 C141 C142 C143 179.9(13) . . . . ?
N21 C140 C137 C136 81(2) . . . . ?
N21 C140 C137 C138 -98(2) . . . . ?
C49 C50 C55 C54 171.8(17) . . . . ?
C49 N8 C48 C47 -63(2) . . . . ?
C49 N8 C48 C43 122(2) . . . . ?
C113 C118 C117 C116 0.0 . . . . ?
C118 N18 C119 C120 61(2) . . . . ?
C118 C113 C114 C115 0.0 . . . . ?
C118 C113 N17 Pd9 -18.4(17) . . . . ?
C118 C113 N17 C112 107.8(18) . . . . ?
C118 C117 C116 C115 0.0 . . . . ?
C117 C116 C115 C114 0.0 . . . . ?
C116 C115 C114 C113 0.0 . . . . ?
C114 C113 C118 N18 178.0(12) . . . . ?
C114 C113 C118 C117 0.0 . . . . ?
C114 C113 N17 Pd9 166.0(7) . . . . ?
C114 C113 N17 C112 -67.8(19) . . . . ?
C112 C109 C108 C107 172(3) . . . . ?
C112 C109 C110 C111 -173(2) . . . . ?
C98 C95 C94 C93 -176.2(15) . . . . ?
C98 N15 C99 C104 -85.7(18) . . . . ?
C98 N15 C99 C100 84(2) . . . . ?
C168 C165 C164 C163 175(2) . . . . ?
C168 N19 C127 C132 100(2) . . . . ?
C168 N19 C127 C128 -74(4) . . . . ?
N16 C105 C106 C107 105(2) . . . . ?
N16 C105 C106 C111 -89(2) . . . . ?
N16 C104 C103 C102 -177(2) . . . . ?
N16 C104 C99 N15 -14(2) . . . . ?
N16 C104 C99 C100 177(2) . . . . ?
C139 C134 C135 C136 0.0 . . . . ?
C139 C134 C133 N20 -88.4(19) . . . . ?
C134 C139 C138 C137 0.0 . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C134 C133 N20 85.3(19) . . . . ?
C135 C136 C137 C140 -179(2) . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C137 C138 C139 0.0 . . . . ?
C137 C140 N21 Pd11 67(2) . . . . ?
C137 C140 N21 C141 -170.6(18) . . . . ?
C138 C139 C134 C135 0.0 . . . . ?
C138 C139 C134 C133 173.8(19) . . . . ?
C105 N16 C104 C103 -51(2) . . . . ?
C105 N16 C104 C99 131.6(18) . . . . ?
C105 C106 C111 C110 -167(3) . . . . ?
N20 C132 C131 C130 174(2) . . . . ?
C133 C134 C135 C136 -174(2) . . . . ?
C133 N20 C132 C127 -138(2) . . . . ?
C133 N20 C132 C131 48(3) . . . . ?
N19 C127 C132 N20 12(2) . . . . ?
N19 C127 C132 C131 -175(2) . . . . ?
N19 C127 C128 C129 174(3) . . . . ?
C109 C112 N17 Pd9 -63(2) . . . . ?
C109 C112 N17 C113 180.0(16) . . . . ?
C109 C108 C107 C106 0.0 . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C108 C107 C106 C105 167(3) . . . . ?
C108 C107 C106 C111 0.0 . . . . ?
C107 C106 C111 C110 0.0 . . . . ?
C106 C111 C110 C109 0.0 . . . . ?
C110 C109 C108 C107 0.0 . . . . ?
N17 C113 C118 N18 2.7(18) . . . . ?
N17 C113 C118 C117 -175.3(15) . . . . ?
N17 C113 C114 C115 175.9(13) . . . . ?
N17 C112 C109 C108 98(2) . . . . ?
N17 C112 C109 C110 -90(2) . . . . ?
C127 C132 C131 C130 0.0 . . . . ?
C132 N20 C133 C134 92(2) . . . . ?
C132 C127 C128 C129 0.0 . . . . ?
C132 C131 C130 C129 0.0 . . . . ?
C131 C130 C129 C128 0.0 . . . . ?
C130 C129 C128 C127 0.0 . . . . ?
C128 C127 C132 N20 -174(2) . . . . ?
C128 C127 C132 C131 0.0 . . . . ?
C104 N16 C105 C106 -84(2) . . . . ?
C104 C103 C102 C101 0.0 . . . . ?
C103 C104 C99 N15 169.5(17) . . . . ?
C103 C104 C99 C100 0.0 . . . . ?
C103 C102 C101 C100 0.0 . . . . ?
C102 C101 C100 C99 0.0 . . . . ?
C101 C100 C99 N15 -169.0(18) . . . . ?
C101 C100 C99 C104 0.0 . . . . ?
C99 C104 C103 C102 0.0 . . . . ?
O1G C1G C2G C3G -126(4) . . . . ?
C2G C3G C5G C6G 156(3) . . . . ?
C4G C3G C2G C1G 157(3) . . . . ?
C4G C3G C5G C6G -84(3) . . . . ?
C6G C7G C8G C10G 177(3) . . . . ?
C6G C7G C8G C9G 6(6) . . . . ?
C5G C3G C2G C1G -93(4) . . . . ?
C5G C6G C7G C8G 104(4) . . . . ?
C7G C6G C5G C3G -76(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.718
_oxdiff_exptl_absorpt_empirical_full_min 0.263
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.817(15)
2 0.183(15)

