#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:22:09 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261708 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/77/1557771.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557771
loop_
_publ_author_name
'Tashiro, Shohei'
'Umeki, Tsutomu'
'Kubota, Ryou'
'Shionoya, Mitsuhiko'
_publ_section_title
;
 Face-selective adsorption of a prochiral compound on the chiral
 pore-surface of a metal-macrocycle framework (MMF) directed towards
 stereoselective reactions.
;
_journal_name_full               'Faraday discussions'
_journal_page_first              197
_journal_page_last               209
_journal_paper_doi               10.1039/d0fd00019a
_journal_volume                  225
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         '2(C42 H42 Cl6 N6 Pd3), 1(C10 H16), 3(O)'
_chemical_formula_sum            'C94 H100 Cl12 N12 O3 Pd6'
_chemical_formula_weight         2509.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.9145(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.2257(3)
_cell_length_b                   50.2552(9)
_cell_length_c                   19.5481(4)
_cell_measurement_reflns_used    79688
_cell_measurement_temperature    103
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.00
_cell_volume                     13967.4(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       65
_diffrn_reflns_limit_k_min       -65
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            138545
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.993
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             5008.00
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.79
_refine_diff_density_min         -1.24
_refine_ls_abs_structure_details
;
 Flack x determined using 11297 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.021(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     2153
_refine_ls_number_reflns         63049
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.1503
_refine_ls_R_factor_gt           0.0870
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1534P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2320
_refine_ls_wR_factor_ref         0.2749
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.971
_reflns_number_gt                34448
_reflns_number_total             63049
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0fd00019a1.cif
_cod_data_source_block           pinene@MMF
_cod_depositor_comments
'Adding full bibliography for 1557771--1557774.cif.'
_cod_database_code               1557771
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.76646(7) 0.67862(3) 0.61060(6) 0.0556(3) Uani 1 1 d . . . . .
Pd2 Pd 0.58866(8) 0.68013(3) 1.06053(6) 0.0637(4) Uani 1 1 d . . . . .
Pd3 Pd 0.15916(7) 0.71268(3) 0.74505(6) 0.0601(3) Uani 1 1 d . . . . .
Cl1 Cl 0.7461(2) 0.72444(9) 0.6115(2) 0.0621(10) Uani 1 1 d . . . . .
Cl2 Cl 0.9273(2) 0.68129(10) 0.5991(2) 0.0618(10) Uani 1 1 d . . . . .
Cl3 Cl 0.6424(3) 0.72074(11) 1.0249(2) 0.0742(13) Uani 1 1 d . . . . .
Cl4 Cl 0.5125(3) 0.69905(11) 1.1510(2) 0.0699(12) Uani 1 1 d . . . . .
Cl5 Cl 0.2016(3) 0.74512(11) 0.8237(2) 0.0752(13) Uani 1 1 d . . . . .
Cl6 Cl 0.1284(3) 0.74322(11) 0.6599(3) 0.0754(13) Uani 1 1 d . . . . .
N1 N 0.6258(8) 0.6726(3) 0.6049(7) 0.057(3) Uani 1 1 d . . . . .
H1N H 0.599570 0.684158 0.567239 0.068 Uiso 1 1 calc R U . . .
N2 N 0.7764(8) 0.6380(3) 0.6187(6) 0.054(3) Uani 1 1 d . . . . .
H2N H 0.821878 0.632350 0.583583 0.065 Uiso 1 1 calc R U . . .
N3 N 0.6578(8) 0.6610(3) 0.9836(7) 0.068(4) Uani 1 1 d . . . . .
H3N H 0.723976 0.667706 0.983386 0.082 Uiso 1 1 calc R U . . .
N4 N 0.5469(9) 0.6420(3) 1.0853(7) 0.069(4) Uani 1 1 d . . . . .
H4N H 0.566909 0.639222 1.134297 0.083 Uiso 1 1 calc R U . . .
N5 N 0.1904(9) 0.6830(3) 0.8149(7) 0.066(4) Uani 1 1 d . . . . .
H5N H 0.164382 0.688103 0.859966 0.079 Uiso 1 1 calc R U . . .
N6 N 0.1196(7) 0.6819(3) 0.6840(6) 0.054(3) Uani 1 1 d . . . . .
H6N H 0.052975 0.685872 0.669366 0.065 Uiso 1 1 calc R U . . .
C1 C 0.6106(10) 0.6461(5) 0.5849(8) 0.081(7) Uani 1 1 d . . . . .
C2 C 0.5263(10) 0.6361(4) 0.5532(9) 0.062(4) Uani 1 1 d . . . . .
H2 H 0.475272 0.647890 0.543850 0.074 Uiso 1 1 calc R U . . .
C3 C 0.5176(13) 0.6099(5) 0.5360(10) 0.082(6) Uani 1 1 d . . . . .
H3 H 0.461702 0.603733 0.513219 0.099 Uiso 1 1 calc R U . . .
C4 C 0.5880(13) 0.5927(5) 0.5513(10) 0.075(5) Uani 1 1 d . . . . .
H4 H 0.577066 0.574471 0.541030 0.090 Uiso 1 1 calc R U . . .
C5 C 0.6742(12) 0.5992(4) 0.5804(9) 0.068(5) Uani 1 1 d . . . . .
H5 H 0.722840 0.586587 0.588906 0.082 Uiso 1 1 calc R U . . .
C6 C 0.6834(10) 0.6264(4) 0.5963(9) 0.064(5) Uani 1 1 d . . . . .
C7 C 0.8141(11) 0.6275(4) 0.6850(9) 0.065(5) Uani 1 1 d . . . . .
H7A H 0.810383 0.607798 0.684504 0.078 Uiso 1 1 calc R U . . .
H7B H 0.881089 0.632531 0.690996 0.078 Uiso 1 1 calc R U . . .
C8 C 0.7620(10) 0.6377(4) 0.7424(8) 0.058(4) Uani 1 1 d . . . . .
C9 C 0.7913(10) 0.6604(4) 0.7779(9) 0.064(5) Uani 1 1 d . . . . .
H9 H 0.846137 0.669349 0.763594 0.076 Uiso 1 1 calc R U . . .
C10 C 0.6828(11) 0.6246(4) 0.7653(10) 0.071(5) Uani 1 1 d . . . . .
H10 H 0.662907 0.608820 0.742192 0.085 Uiso 1 1 calc R U . . .
C11 C 0.7438(11) 0.6706(4) 0.8335(9) 0.071(5) Uani 1 1 d . . . . .
H11 H 0.766234 0.686231 0.856176 0.085 Uiso 1 1 calc R U . . .
C12 C 0.6308(12) 0.6334(4) 0.8205(9) 0.072(5) Uani 1 1 d . . . . .
H12 H 0.577034 0.623942 0.834788 0.087 Uiso 1 1 calc R U . . .
C13 C 0.6628(11) 0.6577(4) 0.8555(9) 0.062(4) Uani 1 1 d . . . . .
C14 C 0.6085(11) 0.6685(4) 0.9149(7) 0.061(4) Uani 1 1 d . . . . .
H14A H 0.543992 0.661026 0.913073 0.073 Uiso 1 1 calc R U . . .
H14B H 0.603637 0.688059 0.911260 0.073 Uiso 1 1 calc R U . . .
C15 C 0.6601(10) 0.6334(4) 1.0003(9) 0.056(4) Uani 1 1 d . . . . .
C16 C 0.7280(13) 0.6162(4) 0.9660(10) 0.073(5) Uani 1 1 d . . . . .
H16 H 0.773051 0.623191 0.936053 0.087 Uiso 1 1 calc R U . . .
C17 C 0.7222(15) 0.5897(5) 0.9798(11) 0.086(6) Uani 1 1 d . . . . .
H17 H 0.764328 0.578022 0.957969 0.104 Uiso 1 1 calc R U . . .
C18 C 0.6586(15) 0.5788(6) 1.0237(10) 0.090(6) Uani 1 1 d . . . . .
H18 H 0.654604 0.560081 1.030682 0.108 Uiso 1 1 calc R U . . .
C19 C 0.6014(13) 0.5962(4) 1.0569(9) 0.071(5) Uani 1 1 d . . . . .
H19 H 0.558676 0.589371 1.088826 0.085 Uiso 1 1 calc R U . . .
C20 C 0.6036(10) 0.6239(4) 1.0454(8) 0.064(5) Uani 1 1 d . . . . .
C21 C 0.4440(12) 0.6370(5) 1.0810(9) 0.073(5) Uani 1 1 d . . . . .
H21A H 0.414022 0.645466 1.120527 0.088 Uiso 1 1 calc R U . . .
H21B H 0.432102 0.617639 1.083149 0.088 Uiso 1 1 calc R U . . .
C22 C 0.4016(11) 0.6480(5) 1.0157(9) 0.067(5) Uani 1 1 d . . . . .
C23 C 0.3724(10) 0.6736(4) 1.0100(9) 0.060(4) Uani 1 1 d . . . . .
H23 H 0.377331 0.684630 1.049443 0.072 Uiso 1 1 calc R U . . .
C24 C 0.3913(12) 0.6327(5) 0.9578(13) 0.088(7) Uani 1 1 d . . . . .
H24 H 0.411063 0.614613 0.959432 0.105 Uiso 1 1 calc R U . . .
C25 C 0.3355(10) 0.6848(4) 0.9495(8) 0.061(4) Uani 1 1 d . . . . .
H25 H 0.315908 0.702848 0.948145 0.073 Uiso 1 1 calc R U . . .
C26 C 0.3536(11) 0.6425(4) 0.8982(10) 0.066(5) Uani 1 1 d . . . . .
H26 H 0.344459 0.631097 0.859878 0.080 Uiso 1 1 calc R U . . .
C27 C 0.3281(10) 0.6693(4) 0.8926(10) 0.070(5) Uani 1 1 d . . . . .
C28 C 0.2949(11) 0.6811(4) 0.8229(10) 0.074(5) Uani 1 1 d . . . . .
H28A H 0.322176 0.699142 0.818180 0.089 Uiso 1 1 calc R U . . .
H28B H 0.318863 0.669923 0.785742 0.089 Uiso 1 1 calc R U . . .
C29 C 0.1421(8) 0.6576(3) 0.7899(7) 0.050(4) Uani 1 1 d . . . . .
C30 C 0.1340(12) 0.6371(5) 0.8354(11) 0.080(6) Uani 1 1 d . . . . .
H30 H 0.152914 0.638922 0.882218 0.096 Uiso 1 1 calc R U . . .
C31 C 0.0952(13) 0.6128(5) 0.8085(11) 0.082(6) Uani 1 1 d . . . . .
H31 H 0.087846 0.597724 0.837067 0.098 Uiso 1 1 calc R U . . .
C32 C 0.0684(11) 0.6119(4) 0.7385(10) 0.063(4) Uani 1 1 d . . . . .
H32 H 0.043806 0.595858 0.719221 0.075 Uiso 1 1 calc R U . . .
C33 C 0.0774(11) 0.6337(4) 0.6984(10) 0.064(5) Uani 1 1 d . . . . .
H33 H 0.057257 0.632537 0.651686 0.077 Uiso 1 1 calc R U . . .
C34 C 0.1151(10) 0.6579(4) 0.7228(9) 0.069(5) Uani 1 1 d . . . . .
C35 C 0.1719(9) 0.6789(3) 0.6174(7) 0.047(3) Uani 1 1 d . . . . .
H35A H 0.153130 0.661964 0.594717 0.057 Uiso 1 1 calc R U . . .
H35B H 0.154933 0.693685 0.585965 0.057 Uiso 1 1 calc R U . . .
C36 C 0.2756(10) 0.6789(4) 0.6321(8) 0.061(4) Uani 1 1 d . . . . .
C37 C 0.3296(11) 0.7008(4) 0.6187(7) 0.060(4) Uani 1 1 d . . . . .
H37 H 0.301407 0.716643 0.600938 0.072 Uiso 1 1 calc R U . . .
C38 C 0.3248(11) 0.6553(4) 0.6574(9) 0.063(4) Uani 1 1 d . . . . .
H38 H 0.292296 0.638904 0.662292 0.076 Uiso 1 1 calc R U . . .
C39 C 0.4248(10) 0.6996(4) 0.6314(8) 0.064(5) Uani 1 1 d . . . . .
H39 H 0.461583 0.714326 0.618021 0.077 Uiso 1 1 calc R U . . .
C40 C 0.4178(9) 0.6571(4) 0.6738(9) 0.065(5) Uani 1 1 d . . . . .
H40 H 0.448100 0.642312 0.695163 0.078 Uiso 1 1 calc R U . . .
C41 C 0.4697(9) 0.6791(4) 0.6613(8) 0.055(4) Uani 1 1 d . . . . .
C42 C 0.5758(9) 0.6799(4) 0.6694(7) 0.062(5) Uani 1 1 d . . . . .
H42A H 0.595981 0.667498 0.706396 0.075 Uiso 1 1 calc R U . . .
H42B H 0.595290 0.698054 0.683606 0.075 Uiso 1 1 calc R U . . .
Pd4 Pd 0.47671(8) 0.77181(3) 0.60242(7) 0.0628(4) Uani 1 1 d . . . . .
Pd5 Pd 1.01847(12) 0.85350(4) 0.84197(11) 0.0943(6) Uani 1 1 d . . . . .
Pd6 Pd 0.55862(13) 0.94846(4) 0.72315(13) 0.1033(6) Uani 1 1 d . . . . .
Cl7 Cl 0.3360(3) 0.77107(11) 0.5415(3) 0.0747(12) Uani 1 1 d . . . . .
Cl8 Cl 0.5637(3) 0.78050(10) 0.5080(2) 0.0698(12) Uani 1 1 d . . . . .
Cl9 Cl 1.0851(6) 0.83722(16) 0.9424(4) 0.124(2) Uiso 1 1 d . . . . .
Cl10 Cl 0.9790(5) 0.89286(14) 0.8916(4) 0.1064(18) Uani 1 1 d . . . . .
Cl11 Cl 0.6474(4) 0.98683(13) 0.7234(5) 0.122(3) Uani 1 1 d . . . . .
Cl12 Cl 0.5460(8) 0.94817(17) 0.6061(5) 0.151(3) Uani 1 1 d . . . . .
N7 N 0.4117(9) 0.7655(3) 0.6917(8) 0.065(4) Uani 1 1 d . . . . .
H7N H 0.367640 0.750163 0.683884 0.078 Uiso 1 1 calc R U . . .
N8 N 0.5975(8) 0.7707(3) 0.6617(7) 0.061(3) Uani 1 1 d . . . . .
H8N H 0.644099 0.759215 0.638628 0.073 Uiso 1 1 calc R U . . .
N9 N 1.0593(10) 0.8201(4) 0.7934(11) 0.089(6) Uani 1 1 d . . . . .
H9N H 1.124583 0.816936 0.812167 0.107 Uiso 1 1 calc R U . . .
N10 N 0.9699(11) 0.8660(3) 0.7464(12) 0.093(6) Uani 1 1 d . . . . .
H10N H 0.990754 0.884819 0.739765 0.111 Uiso 1 1 calc R U . . .
N11 N 0.5523(13) 0.9478(4) 0.8272(12) 0.101(6) Uani 1 1 d . . . . .
H11N H 0.526725 0.965472 0.840805 0.121 Uiso 1 1 calc R U . . .
N12 N 0.4835(13) 0.9140(4) 0.7295(11) 0.101(6) Uani 1 1 d . . . . .
H12N H 0.428988 0.914901 0.695968 0.121 Uiso 1 1 calc R U . . .
C43 C 0.4831(9) 0.7569(4) 0.7443(9) 0.061(4) Uani 1 1 d . . . . .
C44 C 0.4601(11) 0.7468(4) 0.8059(10) 0.071(5) Uani 1 1 d . . . . .
H44 H 0.395959 0.746590 0.818007 0.086 Uiso 1 1 calc R U . . .
C45 C 0.5269(11) 0.7370(4) 0.8509(10) 0.068(5) Uani 1 1 d . . . . .
H45 H 0.509694 0.729367 0.893203 0.082 Uiso 1 1 calc R U . . .
C46 C 0.6210(13) 0.7383(4) 0.8333(9) 0.070(5) Uani 1 1 d . . . . .
H46 H 0.668818 0.732267 0.864518 0.084 Uiso 1 1 calc R U . . .
C47 C 0.6440(10) 0.7482(4) 0.7727(10) 0.064(5) Uani 1 1 d . . . . .
H47 H 0.707804 0.748337 0.759772 0.077 Uiso 1 1 calc R U . . .
C48 C 0.5742(10) 0.7581(4) 0.7287(9) 0.060(4) Uani 1 1 d . . . . .
C49 C 0.6377(11) 0.7974(4) 0.6699(11) 0.072(5) Uani 1 1 d . . . . .
H49A H 0.593328 0.808353 0.695792 0.087 Uiso 1 1 calc R U . . .
H49B H 0.642281 0.805424 0.623943 0.087 Uiso 1 1 calc R U . . .
C50 C 0.7342(11) 0.7991(4) 0.7060(9) 0.059(4) Uani 1 1 d . . . . .
C51 C 0.8099(11) 0.7914(4) 0.6681(11) 0.073(5) Uani 1 1 d . . . . .
H51 H 0.801431 0.787050 0.620956 0.088 Uiso 1 1 calc R U . . .
C52 C 0.7456(12) 0.8041(4) 0.7755(11) 0.073(5) Uani 1 1 d . . . . .
H52 H 0.692858 0.808312 0.801974 0.088 Uiso 1 1 calc R U . . .
C53 C 0.9021(12) 0.7901(4) 0.7013(12) 0.079(6) Uani 1 1 d . . . . .
H53 H 0.954961 0.784742 0.676185 0.094 Uiso 1 1 calc R U . . .
C54 C 0.8351(14) 0.8028(4) 0.8058(10) 0.075(5) Uani 1 1 d . . . . .
H54 H 0.843320 0.806277 0.853326 0.091 Uiso 1 1 calc R U . . .
C55 C 0.9128(11) 0.7964(3) 0.7678(12) 0.068(5) Uani 1 1 d . . . . .
C56 C 1.0129(16) 0.7945(5) 0.8007(14) 0.098(7) Uani 1 1 d . . . . .
H56A H 1.009356 0.789771 0.849701 0.118 Uiso 1 1 calc R U . . .
H56B H 1.049046 0.780427 0.777618 0.118 Uiso 1 1 calc R U . . .
C57 C 1.0724(12) 0.8264(4) 0.7228(14) 0.086(4) Uani 1 1 d . U . . .
C58 C 1.1304(13) 0.8124(5) 0.6753(16) 0.096(5) Uani 1 1 d . U . . .
H58 H 1.162579 0.796762 0.690057 0.116 Uiso 1 1 calc R U . . .
C59 C 1.1394(13) 0.8203(5) 0.6154(16) 0.097(5) Uani 1 1 d . U . . .
H59 H 1.177587 0.810094 0.586331 0.117 Uiso 1 1 calc R U . . .
C60 C 1.0970(15) 0.8433(5) 0.5883(16) 0.103(5) Uani 1 1 d . U . . .
H60 H 1.109085 0.849026 0.543121 0.123 Uiso 1 1 calc R U . . .
C61 C 1.0359(14) 0.8578(5) 0.6296(14) 0.092(4) Uani 1 1 d . U . . .
H61 H 1.001271 0.872908 0.614177 0.110 Uiso 1 1 calc R U . . .
C62 C 1.0317(9) 0.8470(3) 0.6986(11) 0.065(4) Uani 1 1 d . U . . .
C63 C 0.8704(13) 0.8643(5) 0.7274(12) 0.085(6) Uani 1 1 d . . . . .
H63A H 0.847251 0.846262 0.738461 0.102 Uiso 1 1 calc R U . . .
H63B H 0.862181 0.866855 0.677330 0.102 Uiso 1 1 calc R U . . .
C64 C 0.8128(14) 0.8846(4) 0.7635(17) 0.100(8) Uani 1 1 d . . . . .
C65 C 0.8169(14) 0.9095(5) 0.7413(14) 0.093(7) Uani 1 1 d . . . . .
H65 H 0.855427 0.913750 0.704122 0.112 Uiso 1 1 calc R U . . .
C66 C 0.7602(15) 0.8788(5) 0.8204(15) 0.097(7) Uani 1 1 d . . . . .
H66 H 0.761734 0.861252 0.838654 0.117 Uiso 1 1 calc R U . . .
C67 C 0.7644(16) 0.9298(5) 0.7725(18) 0.113(9) Uani 1 1 d . . . . .
H67 H 0.766440 0.947522 0.755884 0.136 Uiso 1 1 calc R U . . .
C68 C 0.7076(15) 0.8973(5) 0.8498(15) 0.097(7) Uani 1 1 d . . . . .
H68 H 0.668316 0.892395 0.886151 0.116 Uiso 1 1 calc R U . . .
C69 C 0.7094(18) 0.9233(5) 0.8284(16) 0.108(8) Uani 1 1 d . . . . .
C70 C 0.651(2) 0.9457(5) 0.8614(16) 0.122(10) Uani 1 1 d . . . . .
H70A H 0.644667 0.941944 0.910807 0.146 Uiso 1 1 calc R U . . .
H70B H 0.683769 0.962912 0.856983 0.146 Uiso 1 1 calc R U . . .
C71 C 0.4855(17) 0.9289(6) 0.8451(17) 0.104(8) Uani 1 1 d . . . . .
C72 C 0.4602(19) 0.9288(6) 0.9134(16) 0.118(9) Uani 1 1 d . . . . .
H72 H 0.493256 0.938738 0.947777 0.142 Uiso 1 1 calc R U . . .
C73 C 0.382(3) 0.9127(8) 0.928(2) 0.159(13) Uiso 1 1 d . . . . .
H73 H 0.355746 0.913691 0.972016 0.191 Uiso 1 1 calc R U . . .
C74 C 0.3390(19) 0.8947(6) 0.8780(17) 0.119(10) Uani 1 1 d . . . . .
H74 H 0.289223 0.883024 0.889048 0.143 Uiso 1 1 calc R U . . .
C75 C 0.3750(17) 0.8955(5) 0.8135(16) 0.104(8) Uani 1 1 d . . . . .
H75 H 0.348117 0.884146 0.779315 0.125 Uiso 1 1 calc R U . . .
C76 C 0.4485(15) 0.9121(5) 0.7956(13) 0.087(6) Uani 1 1 d . . . . .
C77 C 0.5460(15) 0.8902(4) 0.7103(14) 0.092(7) Uani 1 1 d . . . . .
H77A H 0.565957 0.892595 0.662690 0.111 Uiso 1 1 calc R U . . .
H77B H 0.603288 0.890302 0.740473 0.111 Uiso 1 1 calc R U . . .
C78 C 0.4993(15) 0.8637(5) 0.7160(16) 0.095(7) Uani 1 1 d . . . . .
C79 C 0.4478(15) 0.8552(5) 0.6535(16) 0.099(8) Uani 1 1 d . . . . .
H79 H 0.445854 0.866118 0.613826 0.119 Uiso 1 1 calc R U . . .
C80 C 0.5044(13) 0.8483(4) 0.7713(12) 0.075(5) Uani 1 1 d . . . . .
H80 H 0.540525 0.853522 0.810700 0.090 Uiso 1 1 calc R U . . .
C81 C 0.4018(12) 0.8307(5) 0.6538(11) 0.082(6) Uani 1 1 d . . . . .
H81 H 0.369132 0.824679 0.613563 0.099 Uiso 1 1 calc R U . . .
C82 C 0.4549(13) 0.8239(4) 0.7701(11) 0.075(5) Uani 1 1 d . . . . .
H82 H 0.457695 0.813387 0.810619 0.091 Uiso 1 1 calc R U . . .
C83 C 0.4034(10) 0.8142(4) 0.7154(10) 0.069(5) Uani 1 1 d . . . . .
C84 C 0.3531(10) 0.7888(4) 0.7137(11) 0.070(5) Uani 1 1 d . . . . .
H84A H 0.297735 0.790416 0.681940 0.084 Uiso 1 1 calc R U . . .
H84B H 0.329755 0.785106 0.759880 0.084 Uiso 1 1 calc R U . . .
Pd7 Pd 0.73547(7) 0.70457(3) 0.44971(6) 0.0561(3) Uani 1 1 d . . . . .
Pd8 Pd 0.92583(8) 0.70972(3) 0.00068(7) 0.0644(4) Uani 1 1 d . . . . .
Pd9 Pd 1.34456(7) 0.67286(3) 0.31459(6) 0.0612(4) Uani 1 1 d . . . . .
Cl13 Cl 0.7557(2) 0.65864(9) 0.4495(2) 0.0607(10) Uani 1 1 d . . . . .
Cl14 Cl 0.5746(2) 0.70211(10) 0.4616(2) 0.0683(12) Uani 1 1 d . . . . .
Cl15 Cl 0.8715(3) 0.66919(10) 0.0352(2) 0.0719(12) Uani 1 1 d . . . . .
Cl16 Cl 1.0021(3) 0.69081(11) -0.0906(2) 0.0728(12) Uani 1 1 d . . . . .
Cl17 Cl 1.3044(3) 0.64123(11) 0.2339(2) 0.0708(12) Uani 1 1 d . . . . .
Cl18 Cl 1.3698(3) 0.64180(11) 0.3996(2) 0.0734(12) Uani 1 1 d . . . . .
N13 N 0.8760(8) 0.7105(3) 0.4564(6) 0.053(3) Uani 1 1 d . . . . .
H13N H 0.902462 0.699112 0.494336 0.064 Uiso 1 1 calc R U . . .
N14 N 0.7277(8) 0.7452(3) 0.4449(7) 0.061(4) Uani 1 1 d . . . . .
H14N H 0.683729 0.750559 0.481337 0.073 Uiso 1 1 calc R U . . .
N15 N 0.8556(9) 0.7282(3) 0.0762(7) 0.065(4) Uani 1 1 d . . . . .
H15N H 0.790072 0.720989 0.075832 0.078 Uiso 1 1 calc R U . . .
N16 N 0.9643(10) 0.7483(3) -0.0237(8) 0.073(4) Uani 1 1 d . . . . .
H16N H 0.943144 0.751134 -0.072468 0.088 Uiso 1 1 calc R U . . .
N17 N 1.3212(8) 0.7017(3) 0.2435(7) 0.065(4) Uani 1 1 d . . . . .
H17N H 1.351403 0.696774 0.199790 0.078 Uiso 1 1 calc R U . . .
N18 N 1.3829(8) 0.7025(4) 0.3780(7) 0.070(4) Uani 1 1 d . . . . .
H18N H 1.448859 0.698151 0.393538 0.085 Uiso 1 1 calc R U . . .
C85 C 0.8892(11) 0.7381(4) 0.4756(9) 0.068(5) Uani 1 1 d . . . . .
C86 C 0.9776(10) 0.7461(4) 0.5059(9) 0.068(5) Uani 1 1 d . . . . .
H86 H 1.026956 0.733770 0.514998 0.082 Uiso 1 1 calc R U . . .
C87 C 0.9874(12) 0.7731(4) 0.5213(9) 0.072(5) Uani 1 1 d . . . . .
H87 H 1.044849 0.779016 0.542421 0.086 Uiso 1 1 calc R U . . .
C88 C 0.9182(13) 0.7915(4) 0.5075(11) 0.076(5) Uani 1 1 d . . . . .
H88 H 0.928985 0.809956 0.515468 0.091 Uiso 1 1 calc R U . . .
C89 C 0.8303(11) 0.7824(4) 0.4811(9) 0.062(4) Uani 1 1 d . . . . .
H89 H 0.779657 0.794465 0.473234 0.075 Uiso 1 1 calc R U . . .
C90 C 0.8189(9) 0.7555(4) 0.4667(9) 0.061(4) Uani 1 1 d . . . . .
C91 C 0.6864(11) 0.7568(4) 0.3786(9) 0.068(5) Uani 1 1 d . . . . .
H91A H 0.688841 0.776463 0.380557 0.081 Uiso 1 1 calc R U . . .
H91B H 0.619718 0.751358 0.372571 0.081 Uiso 1 1 calc R U . . .
C92 C 0.7444(11) 0.7464(4) 0.3159(9) 0.061(4) Uani 1 1 d . . . . .
C93 C 0.7183(11) 0.7241(4) 0.2809(9) 0.068(5) Uani 1 1 d . . . . .
H93 H 0.666501 0.713776 0.295099 0.082 Uiso 1 1 calc R U . . .
C94 C 0.8260(12) 0.7604(4) 0.2967(9) 0.065(5) Uani 1 1 d . . . . .
H94 H 0.847103 0.775557 0.321935 0.078 Uiso 1 1 calc R U . . .
C95 C 0.7669(11) 0.7168(4) 0.2259(8) 0.067(5) Uani 1 1 d . . . . .
H95 H 0.744967 0.702260 0.198626 0.081 Uiso 1 1 calc R U . . .
C96 C 0.8734(12) 0.7519(4) 0.2417(10) 0.069(5) Uani 1 1 d . . . . .
H96 H 0.925608 0.761921 0.226870 0.082 Uiso 1 1 calc R U . . .
C97 C 0.8485(10) 0.7301(4) 0.2085(9) 0.065(5) Uani 1 1 d . . . . .
C98 C 0.9039(12) 0.7208(4) 0.1443(9) 0.074(5) Uani 1 1 d . . . . .
H98A H 0.967331 0.728952 0.146558 0.088 Uiso 1 1 calc R U . . .
H98B H 0.911935 0.701272 0.146210 0.088 Uiso 1 1 calc R U . . .
C99 C 0.8501(13) 0.7566(4) 0.0630(10) 0.068(5) Uani 1 1 d . . . . .
C100 C 0.7860(14) 0.7719(5) 0.0986(11) 0.079(6) Uani 1 1 d . . . . .
H100 H 0.744169 0.764238 0.130034 0.095 Uiso 1 1 calc R U . . .
C101 C 0.7876(18) 0.7978(8) 0.0857(13) 0.126(12) Uani 1 1 d . . . . .
H101 H 0.743655 0.808927 0.107595 0.151 Uiso 1 1 calc R U . . .
C102 C 0.855(2) 0.8105(5) 0.0381(15) 0.112(9) Uani 1 1 d . . . . .
H102 H 0.858589 0.829272 0.032537 0.134 Uiso 1 1 calc R U . . .
C103 C 0.9121(14) 0.7935(5) 0.0031(10) 0.078(6) Uani 1 1 d . . . . .
H103 H 0.952840 0.800334 -0.030263 0.094 Uiso 1 1 calc R U . . .
C104 C 0.9099(12) 0.7664(4) 0.0164(10) 0.070(5) Uani 1 1 d . . . . .
C105 C 1.0702(12) 0.7540(4) -0.0203(10) 0.073(5) Uani 1 1 d . . . . .
H10A H 1.099721 0.746275 -0.060949 0.087 Uiso 1 1 calc R U . . .
H10B H 1.080804 0.773488 -0.020949 0.087 Uiso 1 1 calc R U . . .
C106 C 1.1162(11) 0.7422(5) 0.0448(9) 0.072(6) Uani 1 1 d . . . . .
C107 C 1.1485(12) 0.7160(4) 0.0453(9) 0.070(5) Uani 1 1 d . . . . .
H107 H 1.145288 0.705678 0.004530 0.085 Uiso 1 1 calc R U . . .
C108 C 1.1194(12) 0.7565(4) 0.1053(10) 0.070(5) Uani 1 1 d . . . . .
H108 H 1.095955 0.774207 0.104398 0.084 Uiso 1 1 calc R U . . .
C109 C 1.1858(10) 0.7050(4) 0.1062(9) 0.066(5) Uani 1 1 d . . . . .
H109 H 1.212406 0.687628 0.105994 0.079 Uiso 1 1 calc R U . . .
C110 C 1.1549(12) 0.7466(4) 0.1669(10) 0.071(5) Uani 1 1 d . . . . .
H110 H 1.159683 0.757210 0.207053 0.085 Uiso 1 1 calc R U . . .
C111 C 1.1840(11) 0.7193(5) 0.1665(8) 0.068(5) Uani 1 1 d . . . . .
C112 C 1.2165(10) 0.7047(4) 0.2316(8) 0.069(5) Uani 1 1 d . . . . .
H11A H 1.191251 0.714366 0.271247 0.083 Uiso 1 1 calc R U . . .
H11B H 1.187906 0.686777 0.230901 0.083 Uiso 1 1 calc R U . . .
C113 C 1.3664(8) 0.7296(4) 0.2739(8) 0.058(5) Uani 1 1 d . . . . .
C114 C 1.3762(11) 0.7490(4) 0.2303(10) 0.072(5) Uani 1 1 d . . . . .
H114 H 1.358221 0.747766 0.183173 0.086 Uiso 1 1 calc R U . . .
C115 C 1.4167(13) 0.7723(5) 0.2610(12) 0.082(6) Uani 1 1 d . . . . .
H115 H 1.428410 0.787594 0.234056 0.098 Uiso 1 1 calc R U . . .
C116 C 1.4378(12) 0.7723(4) 0.3271(10) 0.068(5) Uani 1 1 d . . . . .
H116 H 1.462940 0.788216 0.346720 0.082 Uiso 1 1 calc R U . . .
C117 C 1.4260(11) 0.7516(5) 0.3683(11) 0.077(6) Uani 1 1 d . . . . .
H117 H 1.440810 0.752730 0.415932 0.093 Uiso 1 1 calc R U . . .
C118 C 1.3903(10) 0.7275(4) 0.3382(9) 0.059(4) Uani 1 1 d . . . . .
C119 C 1.3293(10) 0.7048(4) 0.4426(9) 0.068(5) Uani 1 1 d . . . . .
H11C H 1.349289 0.721085 0.467480 0.082 Uiso 1 1 calc R U . . .
H11D H 1.343900 0.689310 0.472419 0.082 Uiso 1 1 calc R U . . .
C120 C 1.2247(10) 0.7059(4) 0.4274(7) 0.055(4) Uani 1 1 d . . . . .
C121 C 1.1740(10) 0.6839(4) 0.4453(8) 0.060(4) Uani 1 1 d . . . . .
H121 H 1.205733 0.669443 0.467372 0.072 Uiso 1 1 calc R U . . .
C122 C 1.1778(11) 0.7271(4) 0.3975(9) 0.071(5) Uani 1 1 d . . . . .
H122 H 1.212030 0.742535 0.385478 0.086 Uiso 1 1 calc R U . . .
C123 C 1.0769(10) 0.6820(4) 0.4321(9) 0.059(4) Uani 1 1 d . . . . .
H123 H 1.042320 0.666691 0.444326 0.070 Uiso 1 1 calc R U . . .
C124 C 1.0827(11) 0.7262(4) 0.3849(8) 0.059(4) Uani 1 1 d . . . . .
H124 H 1.052197 0.741406 0.365609 0.071 Uiso 1 1 calc R U . . .
C125 C 1.0314(9) 0.7048(4) 0.3987(7) 0.057(4) Uani 1 1 d . . . . .
C126 C 0.9260(9) 0.7031(4) 0.3906(8) 0.066(5) Uani 1 1 d . . . . .
H12A H 0.908152 0.684806 0.376955 0.079 Uiso 1 1 calc R U . . .
H12B H 0.904396 0.715286 0.353375 0.079 Uiso 1 1 calc R U . . .
Pd10 Pd 1.02709(8) 0.61191(3) 0.45937(7) 0.0609(3) Uani 1 1 d . . . . .
Pd11 Pd 0.48034(11) 0.53960(4) 0.19958(11) 0.0901(5) Uani 1 1 d . . . . .
Pd12 Pd 0.94383(13) 0.44018(4) 0.27687(12) 0.0961(6) Uani 1 1 d . . . . .
Cl19 Cl 1.1665(3) 0.61217(11) 0.5202(2) 0.0741(12) Uani 1 1 d . . . . .
Cl20 Cl 0.9387(3) 0.60222(10) 0.5527(2) 0.0678(11) Uani 1 1 d . . . . .
Cl21 Cl 0.4018(5) 0.56066(14) 0.1112(5) 0.121(2) Uani 1 1 d . . . . .
Cl22 Cl 0.5243(4) 0.50477(13) 0.1312(4) 0.1046(18) Uani 1 1 d . . . . .
Cl23 Cl 0.8536(4) 0.40249(13) 0.2614(4) 0.112(2) Uani 1 1 d . . . . .
Cl24 Cl 0.9596(7) 0.43384(16) 0.3922(4) 0.141(3) Uani 1 1 d . . . . .
N19 N 1.0940(9) 0.6203(3) 0.3702(8) 0.067(4) Uani 1 1 d . . . . .
H19N H 1.137912 0.635475 0.379934 0.080 Uiso 1 1 calc R U . . .
N20 N 0.9058(9) 0.6132(3) 0.3970(7) 0.061(4) Uani 1 1 d . . . . .
H20N H 0.858030 0.624116 0.420715 0.074 Uiso 1 1 calc R U . . .
N21 N 0.4405(10) 0.5696(3) 0.2580(10) 0.080(5) Uani 1 1 d . . . . .
H21N H 0.375484 0.574443 0.241446 0.095 Uiso 1 1 calc R U . . .
N22 N 0.5281(9) 0.5228(3) 0.2888(11) 0.086(6) Uani 1 1 d . . . . .
H22N H 0.507559 0.503806 0.287218 0.104 Uiso 1 1 calc R U . . .
N23 N 0.9435(14) 0.4472(4) 0.1705(11) 0.097(6) Uani 1 1 d . . . . .
H23N H 0.968548 0.430868 0.148387 0.117 Uiso 1 1 calc R U . . .
N24 N 1.0193(12) 0.4748(3) 0.2853(10) 0.087(5) Uani 1 1 d . . . . .
H24N H 1.074554 0.471990 0.317470 0.104 Uiso 1 1 calc R U . . .
C127 C 1.0259(11) 0.6291(4) 0.3180(9) 0.063(5) Uani 1 1 d . . . . .
C128 C 1.0495(11) 0.6407(4) 0.2587(10) 0.068(5) Uani 1 1 d . . . . .
H128 H 1.114135 0.641887 0.248186 0.082 Uiso 1 1 calc R U . . .
C129 C 0.9830(13) 0.6511(4) 0.2125(12) 0.081(6) Uani 1 1 d . . . . .
H129 H 1.000684 0.659161 0.170908 0.097 Uiso 1 1 calc R U . . .
C130 C 0.8893(11) 0.6490(4) 0.2296(11) 0.073(5) Uani 1 1 d . . . . .
H130 H 0.841590 0.655552 0.198783 0.088 Uiso 1 1 calc R U . . .
C131 C 0.8642(11) 0.6376(4) 0.2912(9) 0.063(4) Uani 1 1 d . . . . .
H131 H 0.799858 0.637099 0.302647 0.076 Uiso 1 1 calc R U . . .
C132 C 0.9310(11) 0.6271(4) 0.3357(9) 0.060(4) Uani 1 1 d . . . . .
C133 C 0.8669(10) 0.5864(4) 0.3869(9) 0.059(4) Uani 1 1 d . . . . .
H13A H 0.862076 0.577551 0.431846 0.071 Uiso 1 1 calc R U . . .
H13B H 0.909948 0.575827 0.358976 0.071 Uiso 1 1 calc R U . . .
C134 C 0.7714(11) 0.5874(4) 0.3518(9) 0.064(4) Uani 1 1 d . . . . .
C135 C 0.6932(11) 0.5921(4) 0.3920(9) 0.064(4) Uani 1 1 d . . . . .
H135 H 0.700831 0.593591 0.440366 0.076 Uiso 1 1 calc R U . . .
C136 C 0.7552(12) 0.5838(4) 0.2810(9) 0.064(4) Uani 1 1 d . . . . .
H136 H 0.806108 0.579696 0.252543 0.076 Uiso 1 1 calc R U . . .
C137 C 0.6043(11) 0.5946(4) 0.3604(12) 0.078(6) Uani 1 1 d . . . . .
H137 H 0.551549 0.598185 0.387532 0.094 Uiso 1 1 calc R U . . .
C138 C 0.6690(13) 0.5862(4) 0.2541(13) 0.081(6) Uani 1 1 d . . . . .
H138 H 0.660118 0.583611 0.206200 0.097 Uiso 1 1 calc R U . . .
C139 C 0.5915(13) 0.5921(4) 0.2914(11) 0.076(5) Uani 1 1 d . . . . .
C140 C 0.4952(12) 0.5949(4) 0.2597(16) 0.101(9) Uani 1 1 d . . . . .
H14C H 0.460180 0.608350 0.285503 0.122 Uiso 1 1 calc R U . . .
H14D H 0.500621 0.601482 0.212247 0.122 Uiso 1 1 calc R U . . .
C141 C 0.4310(13) 0.5583(5) 0.3255(15) 0.094(4) Uani 1 1 d . U . . .
C142 C 0.3757(12) 0.5723(5) 0.3819(15) 0.096(5) Uani 1 1 d . U . . .
H142 H 0.348246 0.589259 0.373586 0.116 Uiso 1 1 calc R U . . .
C143 C 0.3667(13) 0.5605(5) 0.4417(16) 0.100(5) Uani 1 1 d . U . . .
H143 H 0.331068 0.568860 0.475959 0.120 Uiso 1 1 calc R U . . .
C144 C 0.4104(15) 0.5352(5) 0.4554(16) 0.109(5) Uani 1 1 d . U . . .
H144 H 0.400408 0.526609 0.497804 0.130 Uiso 1 1 calc R U . . .
C145 C 0.4688(15) 0.5226(5) 0.4064(15) 0.100(5) Uani 1 1 d . U . . .
H145 H 0.502310 0.506534 0.414760 0.120 Uiso 1 1 calc R U . . .
C146 C 0.4706(10) 0.5366(4) 0.3465(12) 0.075(4) Uani 1 1 d . U . . .
C147 C 0.6322(12) 0.5226(4) 0.3099(12) 0.081(6) Uani 1 1 d . . . . .
H14E H 0.639797 0.516185 0.357706 0.097 Uiso 1 1 calc R U . . .
H14F H 0.657474 0.540924 0.308056 0.097 Uiso 1 1 calc R U . . .
C148 C 0.6876(14) 0.5046(5) 0.2630(14) 0.091(7) Uani 1 1 d . . . . .
C149 C 0.6835(14) 0.4770(4) 0.2743(13) 0.084(6) Uani 1 1 d . . . . .
H149 H 0.647566 0.469793 0.309960 0.101 Uiso 1 1 calc R U . . .
C150 C 0.7382(13) 0.5141(4) 0.2120(12) 0.079(6) Uani 1 1 d . . . . .
H150 H 0.739497 0.532904 0.206387 0.095 Uiso 1 1 calc R U . . .
C151 C 0.7315(15) 0.4613(4) 0.2336(17) 0.109(9) Uani 1 1 d . . . . .
H151 H 0.727583 0.442600 0.240571 0.131 Uiso 1 1 calc R U . . .
C152 C 0.7891(16) 0.4990(5) 0.1663(14) 0.094(7) Uani 1 1 d . . . . .
H152 H 0.821060 0.506970 0.129605 0.113 Uiso 1 1 calc R U . . .
C153 C 0.7906(15) 0.4710(5) 0.1778(14) 0.096(7) Uani 1 1 d . . . . .
C154 C 0.8464(16) 0.4515(5) 0.1422(16) 0.105(8) Uani 1 1 d . . . . .
H15A H 0.850309 0.457125 0.093870 0.127 Uiso 1 1 calc R U . . .
H15B H 0.812723 0.434258 0.142579 0.127 Uiso 1 1 calc R U . . .
C155 C 1.0113(17) 0.4673(6) 0.1643(16) 0.105(8) Uani 1 1 d . . . . .
C156 C 1.0451(19) 0.4724(5) 0.0944(14) 0.101(7) Uani 1 1 d . . . . .
H156 H 1.015660 0.463912 0.055956 0.122 Uiso 1 1 calc R U . . .
C157 C 1.120(2) 0.4896(6) 0.0858(15) 0.111(8) Uani 1 1 d . . . . .
H157 H 1.143826 0.492331 0.041592 0.133 Uiso 1 1 calc R U . . .
C158 C 1.1569(19) 0.5020(6) 0.1388(15) 0.102(7) Uani 1 1 d . . . . .
H158 H 1.204738 0.514739 0.131347 0.123 Uiso 1 1 calc R U . . .
C159 C 1.1293(16) 0.4973(5) 0.2079(16) 0.100(7) Uani 1 1 d . . . . .
H159 H 1.161578 0.505399 0.245833 0.119 Uiso 1 1 calc R U . . .
C161 C 0.9582(15) 0.4965(4) 0.3131(13) 0.088(6) Uani 1 1 d . . . . .
H16A H 0.935035 0.490827 0.357956 0.106 Uiso 1 1 calc R U . . .
H16B H 0.902895 0.498983 0.281663 0.106 Uiso 1 1 calc R U . . .
C162 C 1.0084(12) 0.5230(4) 0.3219(13) 0.077(6) Uani 1 1 d . . . . .
C163 C 1.0556(15) 0.5292(5) 0.3818(12) 0.084(6) Uani 1 1 d . . . . .
H163 H 1.058329 0.516430 0.417702 0.101 Uiso 1 1 calc R U . . .
C164 C 1.0081(14) 0.5422(4) 0.2702(11) 0.075(5) Uani 1 1 d . . . . .
H164 H 0.974063 0.538626 0.228524 0.090 Uiso 1 1 calc R U . . .
C165 C 1.0980(13) 0.5525(4) 0.3909(10) 0.069(5) Uani 1 1 d . . . . .
H165 H 1.126363 0.556545 0.434300 0.082 Uiso 1 1 calc R U . . .
C166 C 1.0529(14) 0.5647(4) 0.2769(9) 0.071(5) Uani 1 1 d . . . . .
H166 H 1.052745 0.576920 0.239799 0.086 Uiso 1 1 calc R U . . .
C167 C 1.1019(11) 0.5711(4) 0.3392(11) 0.073(5) Uani 1 1 d . . . . .
C168 C 1.1539(12) 0.5967(5) 0.3458(9) 0.080(6) Uani 1 1 d . . . . .
H16C H 1.179429 0.601242 0.300750 0.096 Uiso 1 1 calc R U . . .
H16D H 1.207820 0.594231 0.378439 0.096 Uiso 1 1 calc R U . . .
C181 C 1.0531(17) 0.4805(5) 0.2166(13) 0.090(6) Uani 1 1 d . . . . .
C1G C 0.9916(13) 0.6041(4) 0.0517(10) 0.077(5) Uiso 1 1 d D . . . .
H1G H 0.956121 0.619600 0.069940 0.092 Uiso 1 1 calc R U . . .
C2G C 0.9636(15) 0.5790(4) 0.0765(11) 0.084(6) Uiso 1 1 d D . . . .
C3G C 1.0040(18) 0.5583(5) 0.0551(14) 0.110(8) Uiso 1 1 d D . . . .
H3G H 0.985605 0.541246 0.070469 0.133 Uiso 1 1 calc R U . . .
C4G C 1.089(2) 0.5614(5) 0.0003(15) 0.117(8) Uiso 1 1 d D . . . .
H4G1 H 1.148131 0.553669 0.019479 0.140 Uiso 1 1 calc R U . . .
H4G2 H 1.071965 0.552147 -0.043068 0.140 Uiso 1 1 calc R U . . .
C5G C 1.1008(15) 0.5910(4) -0.0122(12) 0.086(6) Uiso 1 1 d D . . . .
H5G H 1.149616 0.595818 -0.045698 0.103 Uiso 1 1 calc R U . . .
C6G C 1.1001(13) 0.6078(4) 0.0517(10) 0.079(5) Uiso 1 1 d D . . . .
C7G C 0.9978(15) 0.6034(5) -0.0277(11) 0.090(6) Uiso 1 1 d D . . . .
H7G1 H 0.997879 0.621115 -0.049871 0.108 Uiso 1 1 calc R U . . .
H7G2 H 0.952663 0.591128 -0.051023 0.108 Uiso 1 1 calc R U . . .
C8G C 0.8891(15) 0.5772(4) 0.1245(12) 0.088(6) Uiso 1 1 d D . . . .
H8G1 H 0.875173 0.558411 0.133298 0.132 Uiso 1 1 calc R U . . .
H8G2 H 0.832707 0.585994 0.105434 0.132 Uiso 1 1 calc R U . . .
H8G3 H 0.908935 0.585871 0.167522 0.132 Uiso 1 1 calc R U . . .
C9G C 1.1576(15) 0.5969(4) 0.1126(11) 0.086(6) Uiso 1 1 d D . . . .
H9G1 H 1.138012 0.578574 0.121717 0.130 Uiso 1 1 calc R U . . .
H9G2 H 1.147123 0.607928 0.152978 0.130 Uiso 1 1 calc R U . . .
H9G3 H 1.224473 0.597154 0.102229 0.130 Uiso 1 1 calc R U . . .
C10G C 1.1317(18) 0.6354(4) 0.0404(14) 0.111(8) Uiso 1 1 d D . . . .
H10C H 1.197869 0.635320 0.028101 0.167 Uiso 1 1 calc R U . . .
H10D H 1.124689 0.645744 0.082456 0.167 Uiso 1 1 calc R U . . .
H10E H 1.093416 0.643424 0.003278 0.167 Uiso 1 1 calc R U . . .
C11G C 0.444(2) 0.7977(6) 0.9519(15) 0.203(19) Uiso 1 1 d D . . . .
H11G H 0.477686 0.784944 0.922294 0.243 Uiso 1 1 calc R U . . .
C12G C 0.492(2) 0.8218(7) 0.967(2) 0.21(2) Uiso 1 1 d D . . . .
C13G C 0.450(3) 0.8386(7) 1.003(2) 0.196(18) Uiso 1 1 d D . . . .
H13G H 0.479243 0.855253 1.012737 0.236 Uiso 1 1 calc R U . . .
C14G C 0.347(3) 0.8321(8) 1.034(3) 0.28(3) Uiso 1 1 d D . . . .
H14G H 0.349900 0.832693 1.084854 0.338 Uiso 1 1 calc R U . . .
H14H H 0.299554 0.845330 1.017518 0.338 Uiso 1 1 calc R U . . .
C15G C 0.319(2) 0.8045(7) 1.010(2) 0.26(3) Uiso 1 1 d D . . . .
H15G H 0.257168 0.797534 1.023767 0.309 Uiso 1 1 calc R U . . .
C16G C 0.4030(17) 0.7857(4) 1.0177(13) 0.112(8) Uiso 1 1 d D . . . .
C17G C 0.340(3) 0.8035(8) 0.9296(17) 0.202(19) Uiso 1 1 d D . . . .
H17G H 0.307881 0.788770 0.904514 0.242 Uiso 1 1 calc R U . . .
H17H H 0.330008 0.820719 0.905516 0.242 Uiso 1 1 calc R U . . .
C18G C 0.590(2) 0.8245(9) 0.953(3) 0.23(2) Uiso 1 1 d D . . . .
H18G H 0.621191 0.807363 0.959519 0.350 Uiso 1 1 calc R U . . .
H18H H 0.618291 0.837778 0.983604 0.350 Uiso 1 1 calc R U . . .
H18I H 0.595950 0.830298 0.905161 0.350 Uiso 1 1 calc R U . . .
C19G C 0.460(2) 0.7918(7) 1.0838(16) 0.188(17) Uiso 1 1 d D . . . .
H19G H 0.512611 0.779278 1.088475 0.282 Uiso 1 1 calc R U . . .
H19H H 0.419305 0.789863 1.123034 0.282 Uiso 1 1 calc R U . . .
H19I H 0.484014 0.809998 1.082092 0.282 Uiso 1 1 calc R U . . .
C20G C 0.378(2) 0.7575(5) 1.0151(18) 0.157(13) Uiso 1 1 d D . . . .
H20C H 0.376615 0.751403 0.967471 0.235 Uiso 1 1 calc R U . . .
H20D H 0.315549 0.755049 1.034116 0.235 Uiso 1 1 calc R U . . .
H20E H 0.424412 0.747213 1.041966 0.235 Uiso 1 1 calc R U . . .
O1W O 0.1821(14) 0.4686(4) 0.3684(11) 0.122(6) Uiso 1 1 d . . . . .
O2W O 0.6800(17) 0.4122(5) 0.3618(13) 0.153(8) Uiso 1 1 d . . . . .
O3W O 0.9252(11) 0.7280(3) 0.7192(8) 0.093(4) Uiso 1 1 d . . . . .
O4W O 0.8754(9) 0.7386(3) 0.8466(7) 0.075(3) Uiso 1 1 d . . . . .
O5W O 0.5751(11) 0.6563(3) 0.3437(8) 0.092(4) Uiso 1 1 d . . . . .
O6W O 0.6286(11) 0.6519(3) 0.2187(8) 0.091(4) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pd1 N2 85.4(5) . . ?
N1 Pd1 Cl2 169.8(4) . . ?
N2 Pd1 Cl2 90.0(3) . . ?
N1 Pd1 Cl1 91.5(4) . . ?
N2 Pd1 Cl1 174.1(3) . . ?
Cl2 Pd1 Cl1 93.86(16) . . ?
N3 Pd2 N4 83.5(6) . . ?
N3 Pd2 Cl3 91.2(5) . . ?
N4 Pd2 Cl3 174.7(4) . . ?
N3 Pd2 Cl4 176.2(5) . . ?
N4 Pd2 Cl4 93.2(4) . . ?
Cl3 Pd2 Cl4 92.07(19) . . ?
N6 Pd3 N5 83.6(6) . . ?
N6 Pd3 Cl6 92.3(4) . . ?
N5 Pd3 Cl6 175.0(5) . . ?
N6 Pd3 Cl5 174.5(4) . . ?
N5 Pd3 Cl5 91.4(5) . . ?
Cl6 Pd3 Cl5 92.8(2) . . ?
C1 N1 C42 113.0(13) . . ?
C1 N1 Pd1 107.5(10) . . ?
C42 N1 Pd1 114.1(9) . . ?
C1 N1 H1N 107.3 . . ?
C42 N1 H1N 107.3 . . ?
Pd1 N1 H1N 107.3 . . ?
C7 N2 C6 113.9(13) . . ?
C7 N2 Pd1 116.4(11) . . ?
C6 N2 Pd1 108.0(10) . . ?
C7 N2 H2N 105.9 . . ?
C6 N2 H2N 105.9 . . ?
Pd1 N2 H2N 105.9 . . ?
C15 N3 C14 116.4(15) . . ?
C15 N3 Pd2 107.1(10) . . ?
C14 N3 Pd2 107.9(10) . . ?
C15 N3 H3N 108.4 . . ?
C14 N3 H3N 108.4 . . ?
Pd2 N3 H3N 108.4 . . ?
C20 N4 C21 115.2(15) . . ?
C20 N4 Pd2 106.6(11) . . ?
C21 N4 Pd2 115.7(12) . . ?
C20 N4 H4N 106.2 . . ?
C21 N4 H4N 106.2 . . ?
Pd2 N4 H4N 106.2 . . ?
C28 N5 C29 114.7(14) . . ?
C28 N5 Pd3 107.9(11) . . ?
C29 N5 Pd3 108.0(9) . . ?
C28 N5 H5N 108.7 . . ?
C29 N5 H5N 108.7 . . ?
Pd3 N5 H5N 108.7 . . ?
C34 N6 C35 113.5(13) . . ?
C34 N6 Pd3 110.4(10) . . ?
C35 N6 Pd3 116.5(9) . . ?
C34 N6 H6N 105.1 . . ?
C35 N6 H6N 105.1 . . ?
Pd3 N6 H6N 105.1 . . ?
N1 C1 C2 125.2(18) . . ?
N1 C1 C6 120.4(15) . . ?
C2 C1 C6 114(2) . . ?
C3 C2 C1 121.2(19) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 120.2(19) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 126(2) . . ?
C3 C4 H4 117.1 . . ?
C5 C4 H4 117.1 . . ?
C4 C5 C6 113.5(19) . . ?
C4 C5 H5 123.3 . . ?
C6 C5 H5 123.3 . . ?
C5 C6 C1 124.9(16) . . ?
C5 C6 N2 121.3(15) . . ?
C1 C6 N2 113.4(17) . . ?
C8 C7 N2 111.7(14) . . ?
C8 C7 H7A 109.3 . . ?
N2 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
N2 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
C10 C8 C9 117.4(15) . . ?
C10 C8 C7 121.3(18) . . ?
C9 C8 C7 121.3(15) . . ?
C8 C9 C11 123.0(15) . . ?
C8 C9 H9 118.5 . . ?
C11 C9 H9 118.5 . . ?
C8 C10 C12 124(2) . . ?
C8 C10 H10 118.2 . . ?
C12 C10 H10 118.2 . . ?
C9 C11 C13 119.5(18) . . ?
C9 C11 H11 120.3 . . ?
C13 C11 H11 120.3 . . ?
C10 C12 C13 117.3(17) . . ?
C10 C12 H12 121.3 . . ?
C13 C12 H12 121.3 . . ?
C11 C13 C12 119.3(16) . . ?
C11 C13 C14 121.1(17) . . ?
C12 C13 C14 119.7(14) . . ?
C13 C14 N3 110.6(13) . . ?
C13 C14 H14A 109.5 . . ?
N3 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C20 C15 N3 120.2(16) . . ?
C20 C15 C16 121.3(18) . . ?
N3 C15 C16 118.5(16) . . ?
C17 C16 C15 116.0(19) . . ?
C17 C16 H16 122.0 . . ?
C15 C16 H16 122.0 . . ?
C16 C17 C18 124(2) . . ?
C16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C19 C18 C17 117(2) . . ?
C19 C18 H18 121.6 . . ?
C17 C18 H18 121.6 . . ?
C18 C19 C20 122.6(19) . . ?
C18 C19 H19 118.7 . . ?
C20 C19 H19 118.7 . . ?
C15 C20 C19 119.2(17) . . ?
C15 C20 N4 119.7(19) . . ?
C19 C20 N4 121.0(16) . . ?
N4 C21 C22 110.7(14) . . ?
N4 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C24 116.2(17) . . ?
C23 C22 C21 122.3(18) . . ?
C24 C22 C21 122(2) . . ?
C22 C23 C25 123.9(17) . . ?
C22 C23 H23 118.1 . . ?
C25 C23 H23 118.1 . . ?
C26 C24 C22 122(2) . . ?
C26 C24 H24 119.1 . . ?
C22 C24 H24 119.1 . . ?
C27 C25 C23 118.7(18) . . ?
C27 C25 H25 120.6 . . ?
C23 C25 H25 120.6 . . ?
C24 C26 C27 121(2) . . ?
C24 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C25 C27 C26 118.3(19) . . ?
C25 C27 C28 120.9(18) . . ?
C26 C27 C28 120.7(18) . . ?
N5 C28 C27 113.0(14) . . ?
N5 C28 H28A 109.0 . . ?
C27 C28 H28A 109.0 . . ?
N5 C28 H28B 109.0 . . ?
C27 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C34 C29 C30 127.7(19) . . ?
C34 C29 N5 114.2(15) . . ?
C30 C29 N5 118.0(15) . . ?
C29 C30 C31 116.3(19) . . ?
C29 C30 H30 121.8 . . ?
C31 C30 H30 121.8 . . ?
C32 C31 C30 118.3(19) . . ?
C32 C31 H31 120.9 . . ?
C30 C31 H31 120.9 . . ?
C33 C32 C31 120.4(19) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 123.1(18) . . ?
C32 C33 H33 118.4 . . ?
C34 C33 H33 118.4 . . ?
C29 C34 C33 114.2(19) . . ?
C29 C34 N6 120.6(18) . . ?
C33 C34 N6 125.0(16) . . ?
C36 C35 N6 109.9(11) . . ?
C36 C35 H35A 109.7 . . ?
N6 C35 H35A 109.7 . . ?
C36 C35 H35B 109.7 . . ?
N6 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 C38 117.0(14) . . ?
C37 C36 C35 121.3(16) . . ?
C38 C36 C35 121.6(16) . . ?
C39 C37 C36 118.9(17) . . ?
C39 C37 H37 120.6 . . ?
C36 C37 H37 120.6 . . ?
C40 C38 C36 118.6(17) . . ?
C40 C38 H38 120.7 . . ?
C36 C38 H38 120.7 . . ?
C41 C39 C37 124.9(18) . . ?
C41 C39 H39 117.6 . . ?
C37 C39 H39 117.6 . . ?
C41 C40 C38 123.2(17) . . ?
C41 C40 H40 118.4 . . ?
C38 C40 H40 118.4 . . ?
C39 C41 C40 116.8(14) . . ?
C39 C41 C42 119.1(16) . . ?
C40 C41 C42 123.5(16) . . ?
C41 C42 N1 113.6(13) . . ?
C41 C42 H42A 108.8 . . ?
N1 C42 H42A 108.8 . . ?
C41 C42 H42B 108.8 . . ?
N1 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
N7 Pd4 N8 84.6(5) . . ?
N7 Pd4 Cl7 91.7(4) . . ?
N8 Pd4 Cl7 175.9(4) . . ?
N7 Pd4 Cl8 174.0(4) . . ?
N8 Pd4 Cl8 89.7(4) . . ?
Cl7 Pd4 Cl8 94.01(17) . . ?
N9 Pd5 N10 85.5(7) . . ?
N9 Pd5 Cl10 175.9(6) . . ?
N10 Pd5 Cl10 92.3(5) . . ?
N9 Pd5 Cl9 89.4(6) . . ?
N10 Pd5 Cl9 173.9(6) . . ?
Cl10 Pd5 Cl9 92.6(3) . . ?
N11 Pd6 N12 83.4(8) . . ?
N11 Pd6 Cl12 172.9(6) . . ?
N12 Pd6 Cl12 91.9(7) . . ?
N11 Pd6 Cl11 93.1(6) . . ?
N12 Pd6 Cl11 176.1(7) . . ?
Cl12 Pd6 Cl11 91.8(3) . . ?
C43 N7 C84 113.5(14) . . ?
C43 N7 Pd4 108.7(9) . . ?
C84 N7 Pd4 113.3(11) . . ?
C43 N7 H7N 107.0 . . ?
C84 N7 H7N 107.0 . . ?
Pd4 N7 H7N 107.0 . . ?
C49 N8 C48 112.9(14) . . ?
C49 N8 Pd4 110.9(11) . . ?
C48 N8 Pd4 107.5(9) . . ?
C49 N8 H8N 108.5 . . ?
C48 N8 H8N 108.5 . . ?
Pd4 N8 H8N 108.5 . . ?
C57 N9 C56 111.1(19) . . ?
C57 N9 Pd5 108.6(13) . . ?
C56 N9 Pd5 123.4(16) . . ?
C57 N9 H9N 103.9 . . ?
C56 N9 H9N 103.9 . . ?
Pd5 N9 H9N 103.9 . . ?
C63 N10 C62 111.1(17) . . ?
C63 N10 Pd5 120.4(14) . . ?
C62 N10 Pd5 99.8(11) . . ?
C63 N10 H10N 108.3 . . ?
C62 N10 H10N 108.3 . . ?
Pd5 N10 H10N 108.3 . . ?
C71 N11 C70 118(2) . . ?
C71 N11 Pd6 108.3(19) . . ?
C70 N11 Pd6 111.5(15) . . ?
C71 N11 H11N 106.2 . . ?
C70 N11 H11N 106.2 . . ?
Pd6 N11 H11N 106.2 . . ?
C76 N12 C77 113.3(18) . . ?
C76 N12 Pd6 108.5(16) . . ?
C77 N12 Pd6 109.6(13) . . ?
C76 N12 H12N 108.4 . . ?
C77 N12 H12N 108.4 . . ?
Pd6 N12 H12N 108.4 . . ?
C48 C43 C44 118.8(17) . . ?
C48 C43 N7 118.2(15) . . ?
C44 C43 N7 122.9(13) . . ?
C43 C44 C45 121.6(15) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C44 C45 C46 118.4(17) . . ?
C44 C45 H45 120.8 . . ?
C46 C45 H45 120.8 . . ?
C47 C46 C45 120.3(18) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C46 C47 C48 119.4(15) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
C43 C48 C47 121.4(16) . . ?
C43 C48 N8 117.3(15) . . ?
C47 C48 N8 121.3(13) . . ?
N8 C49 C50 116.4(15) . . ?
N8 C49 H49A 108.2 . . ?
C50 C49 H49A 108.2 . . ?
N8 C49 H49B 108.2 . . ?
C50 C49 H49B 108.2 . . ?
H49A C49 H49B 107.3 . . ?
C51 C50 C52 120.6(16) . . ?
C51 C50 C49 116.2(17) . . ?
C52 C50 C49 122.6(15) . . ?
C50 C51 C53 118.9(19) . . ?
C50 C51 H51 120.6 . . ?
C53 C51 H51 120.6 . . ?
C50 C52 C54 119.1(17) . . ?
C50 C52 H52 120.5 . . ?
C54 C52 H52 120.5 . . ?
C55 C53 C51 119.7(17) . . ?
C55 C53 H53 120.1 . . ?
C51 C53 H53 120.1 . . ?
C52 C54 C55 121.2(18) . . ?
C52 C54 H54 119.4 . . ?
C55 C54 H54 119.4 . . ?
C53 C55 C54 120.4(15) . . ?
C53 C55 C56 117.4(19) . . ?
C54 C55 C56 122(2) . . ?
N9 C56 C55 108.5(17) . . ?
N9 C56 H56A 110.0 . . ?
C55 C56 H56A 110.0 . . ?
N9 C56 H56B 110.0 . . ?
C55 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
C62 C57 N9 117.6(19) . . ?
C62 C57 C58 115(3) . . ?
N9 C57 C58 127(2) . . ?
C59 C58 C57 122(3) . . ?
C59 C58 H58 119.1 . . ?
C57 C58 H58 119.1 . . ?
C58 C59 C60 124(2) . . ?
C58 C59 H59 117.9 . . ?
C60 C59 H59 117.9 . . ?
C59 C60 C61 118(3) . . ?
C59 C60 H60 120.8 . . ?
C61 C60 H60 120.8 . . ?
C60 C61 C62 113(2) . . ?
C60 C61 H61 123.7 . . ?
C62 C61 H61 123.7 . . ?
C57 C62 C61 128(2) . . ?
C57 C62 N10 121(2) . . ?
C61 C62 N10 110.9(16) . . ?
N10 C63 C64 112(2) . . ?
N10 C63 H63A 109.1 . . ?
C64 C63 H63A 109.1 . . ?
N10 C63 H63B 109.1 . . ?
C64 C63 H63B 109.1 . . ?
H63A C63 H63B 107.9 . . ?
C65 C64 C66 119(2) . . ?
C65 C64 C63 117(2) . . ?
C66 C64 C63 123(2) . . ?
C64 C65 C67 121(2) . . ?
C64 C65 H65 119.7 . . ?
C67 C65 H65 119.7 . . ?
C68 C66 C64 121(2) . . ?
C68 C66 H66 119.3 . . ?
C64 C66 H66 119.3 . . ?
C69 C67 C65 119(2) . . ?
C69 C67 H67 120.5 . . ?
C65 C67 H67 120.5 . . ?
C66 C68 C69 121(2) . . ?
C66 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C68 C69 C67 118(2) . . ?
C68 C69 C70 123(3) . . ?
C67 C69 C70 119(2) . . ?
N11 C70 C69 111(2) . . ?
N11 C70 H70A 109.4 . . ?
C69 C70 H70A 109.4 . . ?
N11 C70 H70B 109.4 . . ?
C69 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
C76 C71 C72 124(3) . . ?
C76 C71 N11 119(3) . . ?
C72 C71 N11 116(3) . . ?
C71 C72 C73 115(3) . . ?
C71 C72 H72 122.4 . . ?
C73 C72 H72 122.4 . . ?
C72 C73 C74 122(4) . . ?
C72 C73 H73 118.8 . . ?
C74 C73 H73 118.8 . . ?
C75 C74 C73 116(3) . . ?
C75 C74 H74 122.0 . . ?
C73 C74 H74 122.0 . . ?
C74 C75 C76 124(3) . . ?
C74 C75 H75 118.2 . . ?
C76 C75 H75 118.2 . . ?
C71 C76 C75 118(2) . . ?
C71 C76 N12 118(2) . . ?
C75 C76 N12 124(3) . . ?
C78 C77 N12 114.3(18) . . ?
C78 C77 H77A 108.7 . . ?
N12 C77 H77A 108.7 . . ?
C78 C77 H77B 108.7 . . ?
N12 C77 H77B 108.7 . . ?
H77A C77 H77B 107.6 . . ?
C80 C78 C79 121(2) . . ?
C80 C78 C77 125(2) . . ?
C79 C78 C77 114(3) . . ?
C81 C79 C78 118(2) . . ?
C81 C79 H79 120.8 . . ?
C78 C79 H79 120.8 . . ?
C78 C80 C82 119(2) . . ?
C78 C80 H80 120.7 . . ?
C82 C80 H80 120.7 . . ?
C79 C81 C83 121(2) . . ?
C79 C81 H81 119.6 . . ?
C83 C81 H81 119.6 . . ?
C83 C82 C80 125(2) . . ?
C83 C82 H82 117.4 . . ?
C80 C82 H82 117.4 . . ?
C82 C83 C84 125.4(19) . . ?
C82 C83 C81 115.8(19) . . ?
C84 C83 C81 118.9(18) . . ?
C83 C84 N7 114.2(12) . . ?
C83 C84 H84A 108.7 . . ?
N7 C84 H84A 108.7 . . ?
C83 C84 H84B 108.7 . . ?
N7 C84 H84B 108.7 . . ?
H84A C84 H84B 107.6 . . ?
N13 Pd7 N14 84.7(5) . . ?
N13 Pd7 Cl14 169.1(4) . . ?
N14 Pd7 Cl14 90.3(3) . . ?
N13 Pd7 Cl13 91.3(4) . . ?
N14 Pd7 Cl13 175.1(4) . . ?
Cl14 Pd7 Cl13 94.03(16) . . ?
N15 Pd8 N16 83.1(6) . . ?
N15 Pd8 Cl15 90.8(5) . . ?
N16 Pd8 Cl15 173.7(5) . . ?
N15 Pd8 Cl16 176.1(4) . . ?
N16 Pd8 Cl16 94.2(5) . . ?
Cl15 Pd8 Cl16 91.93(19) . . ?
N18 Pd9 N17 85.9(6) . . ?
N18 Pd9 Cl17 174.9(4) . . ?
N17 Pd9 Cl17 89.5(4) . . ?
N18 Pd9 Cl18 91.4(5) . . ?
N17 Pd9 Cl18 177.0(5) . . ?
Cl17 Pd9 Cl18 93.22(19) . . ?
C85 N13 C126 112.8(13) . . ?
C85 N13 Pd7 106.1(9) . . ?
C126 N13 Pd7 113.3(9) . . ?
C85 N13 H13N 108.1 . . ?
C126 N13 H13N 108.1 . . ?
Pd7 N13 H13N 108.1 . . ?
C90 N14 C91 115.5(14) . . ?
C90 N14 Pd7 107.2(11) . . ?
C91 N14 Pd7 116.1(11) . . ?
C90 N14 H14N 105.7 . . ?
C91 N14 H14N 105.7 . . ?
Pd7 N14 H14N 105.7 . . ?
C99 N15 C98 114.4(15) . . ?
C99 N15 Pd8 110.2(11) . . ?
C98 N15 Pd8 107.8(10) . . ?
C99 N15 H15N 108.1 . . ?
C98 N15 H15N 108.1 . . ?
Pd8 N15 H15N 108.1 . . ?
C104 N16 C105 113.8(16) . . ?
C104 N16 Pd8 108.3(12) . . ?
C105 N16 Pd8 115.6(12) . . ?
C104 N16 H16N 106.2 . . ?
C105 N16 H16N 106.2 . . ?
Pd8 N16 H16N 106.2 . . ?
C112 N17 C113 109.9(13) . . ?
C112 N17 Pd9 108.5(10) . . ?
C113 N17 Pd9 108.0(9) . . ?
C112 N17 H17N 110.2 . . ?
C113 N17 H17N 110.2 . . ?
Pd9 N17 H17N 110.2 . . ?
C118 N18 C119 115.0(15) . . ?
C118 N18 Pd9 109.1(10) . . ?
C119 N18 Pd9 116.3(11) . . ?
C118 N18 H18N 105.1 . . ?
C119 N18 H18N 105.1 . . ?
Pd9 N18 H18N 105.1 . . ?
C90 C85 C86 121.0(19) . . ?
C90 C85 N13 120.2(15) . . ?
C86 C85 N13 118.8(16) . . ?
C87 C86 C85 116.3(17) . . ?
C87 C86 H86 121.8 . . ?
C85 C86 H86 121.8 . . ?
C88 C87 C86 123.2(17) . . ?
C88 C87 H87 118.4 . . ?
C86 C87 H87 118.4 . . ?
C87 C88 C89 118.2(19) . . ?
C87 C88 H88 120.9 . . ?
C89 C88 H88 120.9 . . ?
C90 C89 C88 119.1(16) . . ?
C90 C89 H89 120.5 . . ?
C88 C89 H89 120.5 . . ?
C85 C90 C89 121.9(15) . . ?
C85 C90 N14 117.7(17) . . ?
C89 C90 N14 120.3(15) . . ?
N14 C91 C92 109.7(13) . . ?
N14 C91 H91A 109.7 . . ?
C92 C91 H91A 109.7 . . ?
N14 C91 H91B 109.7 . . ?
C92 C91 H91B 109.7 . . ?
H91A C91 H91B 108.2 . . ?
C93 C92 C94 119.2(16) . . ?
C93 C92 C91 121.2(15) . . ?
C94 C92 C91 119.5(16) . . ?
C95 C93 C92 119.2(17) . . ?
C95 C93 H93 120.4 . . ?
C92 C93 H93 120.4 . . ?
C96 C94 C92 119.1(19) . . ?
C96 C94 H94 120.4 . . ?
C92 C94 H94 120.4 . . ?
C93 C95 C97 121.2(18) . . ?
C93 C95 H95 119.4 . . ?
C97 C95 H95 119.4 . . ?
C97 C96 C94 121.3(17) . . ?
C97 C96 H96 119.3 . . ?
C94 C96 H96 119.3 . . ?
C96 C97 C95 119.5(16) . . ?
C96 C97 C98 120.3(16) . . ?
C95 C97 C98 119.9(18) . . ?
N15 C98 C97 113.7(12) . . ?
N15 C98 H98A 108.8 . . ?
C97 C98 H98A 108.8 . . ?
N15 C98 H98B 108.8 . . ?
C97 C98 H98B 108.8 . . ?
H98A C98 H98B 107.7 . . ?
C104 C99 C100 124.7(19) . . ?
C104 C99 N15 116.3(16) . . ?
C100 C99 N15 119.0(18) . . ?
C101 C100 C99 115(2) . . ?
C101 C100 H100 122.3 . . ?
C99 C100 H100 122.3 . . ?
C100 C101 C102 123(2) . . ?
C100 C101 H101 118.3 . . ?
C102 C101 H101 118.3 . . ?
C103 C102 C101 116(2) . . ?
C103 C102 H102 121.8 . . ?
C101 C102 H102 121.8 . . ?
C102 C103 C104 120(2) . . ?
C102 C103 H103 120.0 . . ?
C104 C103 H103 120.0 . . ?
C99 C104 C103 120.0(18) . . ?
C99 C104 N16 119.7(18) . . ?
C103 C104 N16 120.1(19) . . ?
C106 C105 N16 110.7(14) . . ?
C106 C105 H10A 109.5 . . ?
N16 C105 H10A 109.5 . . ?
C106 C105 H10B 109.5 . . ?
N16 C105 H10B 109.5 . . ?
H10A C105 H10B 108.1 . . ?
C108 C106 C107 119.0(18) . . ?
C108 C106 C105 121(2) . . ?
C107 C106 C105 120.2(17) . . ?
C106 C107 C109 119.6(18) . . ?
C106 C107 H107 120.2 . . ?
C109 C107 H107 120.2 . . ?
C106 C108 C110 124(2) . . ?
C106 C108 H108 118.1 . . ?
C110 C108 H108 118.1 . . ?
C111 C109 C107 120.1(19) . . ?
C111 C109 H109 119.9 . . ?
C107 C109 H109 119.9 . . ?
C108 C110 C111 115.9(17) . . ?
C108 C110 H110 122.0 . . ?
C111 C110 H110 122.0 . . ?
C109 C111 C110 121.1(16) . . ?
C109 C111 C112 116.7(19) . . ?
C110 C111 C112 122.2(16) . . ?
N17 C112 C111 116.5(13) . . ?
N17 C112 H11A 108.2 . . ?
C111 C112 H11A 108.2 . . ?
N17 C112 H11B 108.2 . . ?
C111 C112 H11B 108.2 . . ?
H11A C112 H11B 107.3 . . ?
C118 C113 C114 132(2) . . ?
C118 C113 N17 111.6(15) . . ?
C114 C113 N17 116.7(16) . . ?
C113 C114 C115 112.8(19) . . ?
C113 C114 H114 123.6 . . ?
C115 C114 H114 123.6 . . ?
C116 C115 C114 119(2) . . ?
C116 C115 H115 120.4 . . ?
C114 C115 H115 120.4 . . ?
C115 C116 C117 124(2) . . ?
C115 C116 H116 117.9 . . ?
C117 C116 H116 117.9 . . ?
C116 C117 C118 117.7(19) . . ?
C116 C117 H117 121.2 . . ?
C118 C117 H117 121.2 . . ?
C113 C118 C117 114.1(18) . . ?
C113 C118 N18 123.8(18) . . ?
C117 C118 N18 122.1(16) . . ?
N18 C119 C120 111.3(13) . . ?
N18 C119 H11C 109.4 . . ?
C120 C119 H11C 109.4 . . ?
N18 C119 H11D 109.4 . . ?
C120 C119 H11D 109.4 . . ?
H11C C119 H11D 108.0 . . ?
C121 C120 C122 118.8(14) . . ?
C121 C120 C119 116.3(15) . . ?
C122 C120 C119 124.9(16) . . ?
C120 C121 C123 122.0(16) . . ?
C120 C121 H121 119.0 . . ?
C123 C121 H121 119.0 . . ?
C124 C122 C120 120.9(17) . . ?
C124 C122 H122 119.5 . . ?
C120 C122 H122 119.5 . . ?
C121 C123 C125 116.8(15) . . ?
C121 C123 H123 121.6 . . ?
C125 C123 H123 121.6 . . ?
C125 C124 C122 122.3(17) . . ?
C125 C124 H124 118.8 . . ?
C122 C124 H124 118.8 . . ?
C124 C125 C123 119.1(13) . . ?
C124 C125 C126 125.1(16) . . ?
C123 C125 C126 115.4(15) . . ?
C125 C126 N13 112.7(13) . . ?
C125 C126 H12A 109.1 . . ?
N13 C126 H12A 109.1 . . ?
C125 C126 H12B 109.1 . . ?
N13 C126 H12B 109.1 . . ?
H12A C126 H12B 107.8 . . ?
N19 Pd10 N20 84.0(5) . . ?
N19 Pd10 Cl19 91.2(4) . . ?
N20 Pd10 Cl19 175.1(4) . . ?
N19 Pd10 Cl20 174.4(4) . . ?
N20 Pd10 Cl20 90.3(4) . . ?
Cl19 Pd10 Cl20 94.40(17) . . ?
N21 Pd11 N22 85.1(7) . . ?
N21 Pd11 Cl21 86.7(5) . . ?
N22 Pd11 Cl21 168.9(5) . . ?
N21 Pd11 Cl22 179.2(5) . . ?
N22 Pd11 Cl22 95.3(5) . . ?
Cl21 Pd11 Cl22 92.8(3) . . ?
N24 Pd12 N23 85.5(8) . . ?
N24 Pd12 Cl24 90.3(6) . . ?
N23 Pd12 Cl24 174.3(6) . . ?
N24 Pd12 Cl23 176.2(6) . . ?
N23 Pd12 Cl23 91.5(6) . . ?
Cl24 Pd12 Cl23 92.9(3) . . ?
C127 N19 C168 112.3(14) . . ?
C127 N19 Pd10 109.9(9) . . ?
C168 N19 Pd10 112.3(11) . . ?
C127 N19 H19N 107.3 . . ?
C168 N19 H19N 107.3 . . ?
Pd10 N19 H19N 107.3 . . ?
C132 N20 C133 115.8(14) . . ?
C132 N20 Pd10 106.1(10) . . ?
C133 N20 Pd10 110.7(10) . . ?
C132 N20 H20N 108.0 . . ?
C133 N20 H20N 108.0 . . ?
Pd10 N20 H20N 108.0 . . ?
C141 N21 C140 112.3(19) . . ?
C141 N21 Pd11 105.2(13) . . ?
C140 N21 Pd11 120.1(15) . . ?
C141 N21 H21N 106.1 . . ?
C140 N21 H21N 106.1 . . ?
Pd11 N21 H21N 106.1 . . ?
C147 N22 C146 109.4(16) . . ?
C147 N22 Pd11 122.0(13) . . ?
C146 N22 Pd11 105.4(11) . . ?
C147 N22 H22N 106.3 . . ?
C146 N22 H22N 106.3 . . ?
Pd11 N22 H22N 106.3 . . ?
C155 N23 C154 120(2) . . ?
C155 N23 Pd12 103.1(18) . . ?
C154 N23 Pd12 111.2(15) . . ?
C155 N23 H23N 107.4 . . ?
C154 N23 H23N 107.4 . . ?
Pd12 N23 H23N 107.4 . . ?
C181 N24 C161 113.6(18) . . ?
C181 N24 Pd12 106.0(15) . . ?
C161 N24 Pd12 109.7(13) . . ?
C181 N24 H24N 109.1 . . ?
C161 N24 H24N 109.1 . . ?
Pd12 N24 H24N 109.1 . . ?
C128 C127 C132 120.7(16) . . ?
C128 C127 N19 123.7(14) . . ?
C132 C127 N19 115.3(15) . . ?
C127 C128 C129 122.4(16) . . ?
C127 C128 H128 118.8 . . ?
C129 C128 H128 118.8 . . ?
C128 C129 C130 117(2) . . ?
C128 C129 H129 121.5 . . ?
C130 C129 H129 121.5 . . ?
C129 C130 C131 121.0(19) . . ?
C129 C130 H130 119.5 . . ?
C131 C130 H130 119.5 . . ?
C132 C131 C130 121.1(15) . . ?
C132 C131 H131 119.5 . . ?
C130 C131 H131 119.5 . . ?
C131 C132 C127 117.7(16) . . ?
C131 C132 N20 121.8(14) . . ?
C127 C132 N20 120.4(16) . . ?
N20 C133 C134 111.4(14) . . ?
N20 C133 H13A 109.3 . . ?
C134 C133 H13A 109.3 . . ?
N20 C133 H13B 109.3 . . ?
C134 C133 H13B 109.3 . . ?
H13A C133 H13B 108.0 . . ?
C135 C134 C136 117.8(15) . . ?
C135 C134 C133 118.0(16) . . ?
C136 C134 C133 124.2(15) . . ?
C137 C135 C134 119.3(17) . . ?
C137 C135 H135 120.3 . . ?
C134 C135 H135 120.3 . . ?
C138 C136 C134 119.9(18) . . ?
C138 C136 H136 120.1 . . ?
C134 C136 H136 120.1 . . ?
C139 C137 C135 121.3(17) . . ?
C139 C137 H137 119.3 . . ?
C135 C137 H137 119.3 . . ?
C136 C138 C139 124(2) . . ?
C136 C138 H138 118.0 . . ?
C139 C138 H138 118.0 . . ?
C137 C139 C138 117.6(17) . . ?
C137 C139 C140 120(2) . . ?
C138 C139 C140 123(2) . . ?
N21 C140 C139 113.7(17) . . ?
N21 C140 H14C 108.8 . . ?
C139 C140 H14C 108.8 . . ?
N21 C140 H14D 108.8 . . ?
C139 C140 H14D 108.8 . . ?
H14C C140 H14D 107.7 . . ?
C146 C141 N21 125(2) . . ?
C146 C141 C142 113(3) . . ?
N21 C141 C142 122(2) . . ?
C143 C142 C141 120(2) . . ?
C143 C142 H142 120.2 . . ?
C141 C142 H142 120.2 . . ?
C142 C143 C144 120(3) . . ?
C142 C143 H143 119.8 . . ?
C144 C143 H143 119.8 . . ?
C145 C144 C143 122(3) . . ?
C145 C144 H144 119.2 . . ?
C143 C144 H144 119.2 . . ?
C146 C145 C144 112(2) . . ?
C146 C145 H145 124.0 . . ?
C144 C145 H145 124.0 . . ?
C141 C146 C145 133(2) . . ?
C141 C146 N22 112(2) . . ?
C145 C146 N22 114.5(18) . . ?
N22 C147 C148 111.0(18) . . ?
N22 C147 H14E 109.4 . . ?
C148 C147 H14E 109.4 . . ?
N22 C147 H14F 109.4 . . ?
C148 C147 H14F 109.4 . . ?
H14E C147 H14F 108.0 . . ?
C150 C148 C149 120(2) . . ?
C150 C148 C147 123(2) . . ?
C149 C148 C147 118(2) . . ?
C151 C149 C148 118(2) . . ?
C151 C149 H149 121.0 . . ?
C148 C149 H149 121.0 . . ?
C148 C150 C152 126(2) . . ?
C148 C150 H150 117.0 . . ?
C152 C150 H150 117.0 . . ?
C149 C151 C153 124(2) . . ?
C149 C151 H151 117.9 . . ?
C153 C151 H151 117.9 . . ?
C150 C152 C153 116(2) . . ?
C150 C152 H152 121.9 . . ?
C153 C152 H152 121.9 . . ?
C152 C153 C154 127(2) . . ?
C152 C153 C151 116(2) . . ?
C154 C153 C151 118(2) . . ?
C153 C154 N23 116(2) . . ?
C153 C154 H15A 108.3 . . ?
N23 C154 H15A 108.3 . . ?
C153 C154 H15B 108.3 . . ?
N23 C154 H15B 108.3 . . ?
H15A C154 H15B 107.4 . . ?
C181 C155 N23 125(3) . . ?
C181 C155 C156 118(3) . . ?
N23 C155 C156 117(3) . . ?
C157 C156 C155 120(2) . . ?
C157 C156 H156 120.2 . . ?
C155 C156 H156 120.2 . . ?
C158 C157 C156 120(3) . . ?
C158 C157 H157 120.2 . . ?
C156 C157 H157 120.2 . . ?
C157 C158 C159 124(3) . . ?
C157 C158 H158 118.2 . . ?
C159 C158 H158 118.2 . . ?
C181 C159 C158 117(3) . . ?
C181 C159 H159 121.6 . . ?
C158 C159 H159 121.6 . . ?
N24 C161 C162 113.7(17) . . ?
N24 C161 H16A 108.8 . . ?
C162 C161 H16A 108.8 . . ?
N24 C161 H16B 108.8 . . ?
C162 C161 H16B 108.8 . . ?
H16A C161 H16B 107.7 . . ?
C163 C162 C164 117(2) . . ?
C163 C162 C161 121(2) . . ?
C164 C162 C161 122(2) . . ?
C165 C163 C162 121(2) . . ?
C165 C163 H163 119.3 . . ?
C162 C163 H163 119.3 . . ?
C166 C164 C162 122(2) . . ?
C166 C164 H164 118.8 . . ?
C162 C164 H164 118.8 . . ?
C163 C165 C167 122(2) . . ?
C163 C165 H165 119.0 . . ?
C167 C165 H165 119.0 . . ?
C164 C166 C167 120(2) . . ?
C164 C166 H166 119.8 . . ?
C167 C166 H166 119.8 . . ?
C165 C167 C166 116(2) . . ?
C165 C167 C168 123.7(18) . . ?
C166 C167 C168 120(2) . . ?
C167 C168 N19 114.4(13) . . ?
C167 C168 H16C 108.6 . . ?
N19 C168 H16C 108.6 . . ?
C167 C168 H16D 108.6 . . ?
N19 C168 H16D 108.6 . . ?
H16C C168 H16D 107.6 . . ?
C155 C181 C159 122(3) . . ?
C155 C181 N24 117(2) . . ?
C159 C181 N24 121(2) . . ?
C2G C1G C6G 113.5(17) . . ?
C2G C1G C7G 110.3(17) . . ?
C6G C1G C7G 85.1(14) . . ?
C2G C1G H1G 114.8 . . ?
C6G C1G H1G 114.8 . . ?
C7G C1G H1G 114.8 . . ?
C3G C2G C1G 119(2) . . ?
C3G C2G C8G 121(2) . . ?
C1G C2G C8G 120.2(19) . . ?
C2G C3G C4G 119(2) . . ?
C2G C3G H3G 120.4 . . ?
C4G C3G H3G 120.4 . . ?
C5G C4G C3G 107(2) . . ?
C5G C4G H4G1 110.4 . . ?
C3G C4G H4G1 110.4 . . ?
C5G C4G H4G2 110.4 . . ?
C3G C4G H4G2 110.4 . . ?
H4G1 C4G H4G2 108.6 . . ?
C6G C5G C4G 114.4(19) . . ?
C6G C5G C7G 84.6(15) . . ?
C4G C5G C7G 107.7(19) . . ?
C6G C5G H5G 115.4 . . ?
C4G C5G H5G 115.4 . . ?
C7G C5G H5G 115.4 . . ?
C10G C6G C5G 113.1(17) . . ?
C10G C6G C9G 107.3(16) . . ?
C5G C6G C9G 115.1(16) . . ?
C10G C6G C1G 114.8(17) . . ?
C5G C6G C1G 88.1(14) . . ?
C9G C6G C1G 117.6(16) . . ?
C1G C7G C5G 84.4(15) . . ?
C1G C7G H7G1 114.6 . . ?
C5G C7G H7G1 114.6 . . ?
C1G C7G H7G2 114.6 . . ?
C5G C7G H7G2 114.6 . . ?
H7G1 C7G H7G2 111.7 . . ?
C2G C8G H8G1 109.5 . . ?
C2G C8G H8G2 109.5 . . ?
H8G1 C8G H8G2 109.5 . . ?
C2G C8G H8G3 109.5 . . ?
H8G1 C8G H8G3 109.5 . . ?
H8G2 C8G H8G3 109.5 . . ?
C6G C9G H9G1 109.5 . . ?
C6G C9G H9G2 109.5 . . ?
H9G1 C9G H9G2 109.5 . . ?
C6G C9G H9G3 109.5 . . ?
H9G1 C9G H9G3 109.5 . . ?
H9G2 C9G H9G3 109.5 . . ?
C6G C10G H10C 109.5 . . ?
C6G C10G H10D 109.5 . . ?
H10C C10G H10D 109.5 . . ?
C6G C10G H10E 109.5 . . ?
H10C C10G H10E 109.5 . . ?
H10D C10G H10E 109.5 . . ?
C12G C11G C16G 111(2) . . ?
C12G C11G C17G 110(2) . . ?
C16G C11G C17G 85.8(17) . . ?
C12G C11G H11G 115.5 . . ?
C16G C11G H11G 115.5 . . ?
C17G C11G H11G 115.5 . . ?
C13G C12G C11G 117(3) . . ?
C13G C12G C18G 121(3) . . ?
C11G C12G C18G 120(3) . . ?
C12G C13G C14G 121(3) . . ?
C12G C13G H13G 119.5 . . ?
C14G C13G H13G 119.5 . . ?
C15G C14G C13G 107(2) . . ?
C15G C14G H14G 110.4 . . ?
C13G C14G H14G 110.4 . . ?
C15G C14G H14H 110.4 . . ?
C13G C14G H14H 110.4 . . ?
H14G C14G H14H 108.6 . . ?
C14G C15G C16G 110(2) . . ?
C14G C15G C17G 107(2) . . ?
C16G C15G C17G 85.3(18) . . ?
C14G C15G H15G 116.8 . . ?
C16G C15G H15G 116.8 . . ?
C17G C15G H15G 116.8 . . ?
C20G C16G C15G 114(2) . . ?
C20G C16G C19G 110(2) . . ?
C15G C16G C19G 111(2) . . ?
C20G C16G C11G 117(2) . . ?
C15G C16G C11G 89.1(17) . . ?
C19G C16G C11G 114.9(19) . . ?
C11G C17G C15G 86.1(18) . . ?
C11G C17G H17G 114.3 . . ?
C15G C17G H17G 114.3 . . ?
C11G C17G H17H 114.3 . . ?
C15G C17G H17H 114.3 . . ?
H17G C17G H17H 111.5 . . ?
C12G C18G H18G 109.5 . . ?
C12G C18G H18H 109.5 . . ?
H18G C18G H18H 109.5 . . ?
C12G C18G H18I 109.5 . . ?
H18G C18G H18I 109.5 . . ?
H18H C18G H18I 109.5 . . ?
C16G C19G H19G 109.5 . . ?
C16G C19G H19H 109.5 . . ?
H19G C19G H19H 109.5 . . ?
C16G C19G H19I 109.5 . . ?
H19G C19G H19I 109.5 . . ?
H19H C19G H19I 109.5 . . ?
C16G C20G H20C 109.5 . . ?
C16G C20G H20D 109.5 . . ?
H20C C20G H20D 109.5 . . ?
C16G C20G H20E 109.5 . . ?
H20C C20G H20E 109.5 . . ?
H20D C20G H20E 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 N1 2.023(12) . ?
Pd1 N2 2.051(15) . ?
Pd1 Cl2 2.310(3) . ?
Pd1 Cl1 2.321(5) . ?
Pd2 N3 2.064(14) . ?
Pd2 N4 2.068(16) . ?
Pd2 Cl3 2.296(5) . ?
Pd2 Cl4 2.309(4) . ?
Pd3 N6 2.021(14) . ?
Pd3 N5 2.061(15) . ?
Pd3 Cl6 2.295(5) . ?
Pd3 Cl5 2.307(5) . ?
N1 C1 1.40(3) . ?
N1 C42 1.514(19) . ?
N1 H1N 1.0000 . ?
N2 C7 1.48(2) . ?
N2 C6 1.498(19) . ?
N2 H2N 1.0000 . ?
N3 C15 1.42(2) . ?
N3 C14 1.54(2) . ?
N3 H3N 1.0000 . ?
N4 C20 1.46(2) . ?
N4 C21 1.48(2) . ?
N4 H4N 1.0000 . ?
N5 C28 1.492(19) . ?
N5 C29 1.52(2) . ?
N5 H5N 1.0000 . ?
N6 C34 1.43(2) . ?
N6 C35 1.528(17) . ?
N6 H6N 1.0000 . ?
C1 C2 1.42(2) . ?
C1 C6 1.45(3) . ?
C2 C3 1.36(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.35(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(3) . ?
C5 H5 0.9500 . ?
C7 C8 1.46(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.39(2) . ?
C8 C9 1.39(3) . ?
C9 C11 1.40(3) . ?
C9 H9 0.9500 . ?
C10 C12 1.40(2) . ?
C10 H10 0.9500 . ?
C11 C13 1.40(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.47(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.52(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.30(2) . ?
C15 C16 1.47(2) . ?
C16 C17 1.36(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.38(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.37(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.41(3) . ?
C19 H19 0.9500 . ?
C21 C22 1.50(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.36(3) . ?
C22 C24 1.37(3) . ?
C23 C25 1.39(2) . ?
C23 H23 0.9500 . ?
C24 C26 1.36(3) . ?
C24 H24 0.9500 . ?
C25 C27 1.36(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.40(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.55(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.35(2) . ?
C29 C30 1.37(3) . ?
C30 C31 1.43(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.41(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.35(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.41(3) . ?
C33 H33 0.9500 . ?
C35 C36 1.494(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.37(2) . ?
C36 C38 1.46(3) . ?
C37 C39 1.37(2) . ?
C37 H37 0.9500 . ?
C38 C40 1.35(2) . ?
C38 H38 0.9500 . ?
C39 C41 1.33(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.36(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.513(18) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N7 2.027(15) . ?
Pd4 N8 2.041(13) . ?
Pd4 Cl7 2.295(4) . ?
Pd4 Cl8 2.298(5) . ?
Pd5 N9 2.02(2) . ?
Pd5 N10 2.07(2) . ?
Pd5 Cl10 2.282(8) . ?
Pd5 Cl9 2.303(9) . ?
Pd6 N11 2.04(2) . ?
Pd6 N12 2.04(2) . ?
Pd6 Cl12 2.290(10) . ?
Pd6 Cl11 2.305(7) . ?
N7 C43 1.49(2) . ?
N7 C84 1.51(2) . ?
N7 H7N 1.0000 . ?
N8 C49 1.46(2) . ?
N8 C48 1.50(2) . ?
N8 H8N 1.0000 . ?
N9 C57 1.43(3) . ?
N9 C56 1.46(3) . ?
N9 H9N 1.0000 . ?
N10 C63 1.45(2) . ?
N10 C62 1.62(3) . ?
N10 H10N 1.0000 . ?
N11 C71 1.39(3) . ?
N11 C70 1.53(3) . ?
N11 H11N 1.0000 . ?
N12 C76 1.40(3) . ?
N12 C77 1.54(3) . ?
N12 H12N 1.0000 . ?
C43 C48 1.343(19) . ?
C43 C44 1.36(3) . ?
C44 C45 1.37(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.39(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.33(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.38(2) . ?
C47 H47 0.9500 . ?
C49 C50 1.52(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.38(2) . ?
C50 C52 1.38(3) . ?
C51 C53 1.45(2) . ?
C51 H51 0.9500 . ?
C52 C54 1.39(2) . ?
C52 H52 0.9500 . ?
C53 C55 1.34(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.39(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.55(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.27(3) . ?
C57 C58 1.45(3) . ?
C58 C59 1.25(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.40(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.41(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(3) . ?
C61 H61 0.9500 . ?
C63 C64 1.50(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.33(3) . ?
C64 C66 1.39(4) . ?
C65 C67 1.41(3) . ?
C65 H65 0.9500 . ?
C66 C68 1.34(3) . ?
C66 H66 0.9500 . ?
C67 C69 1.40(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.37(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.56(4) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C76 1.38(4) . ?
C71 C72 1.40(4) . ?
C72 C73 1.42(5) . ?
C72 H72 0.9500 . ?
C73 C74 1.45(5) . ?
C73 H73 0.9500 . ?
C74 C75 1.38(4) . ?
C74 H74 0.9500 . ?
C75 C76 1.39(3) . ?
C75 H75 0.9500 . ?
C77 C78 1.49(3) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C80 1.33(3) . ?
C78 C79 1.47(4) . ?
C79 C81 1.39(3) . ?
C79 H79 0.9500 . ?
C80 C82 1.41(3) . ?
C80 H80 0.9500 . ?
C81 C83 1.46(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.37(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.46(3) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
Pd7 N13 2.020(11) . ?
Pd7 N14 2.047(15) . ?
Pd7 Cl14 2.311(3) . ?
Pd7 Cl13 2.326(5) . ?
Pd8 N15 2.034(13) . ?
Pd8 N16 2.075(17) . ?
Pd8 Cl15 2.288(5) . ?
Pd8 Cl16 2.322(5) . ?
Pd9 N18 2.001(17) . ?
Pd9 N17 2.027(15) . ?
Pd9 Cl17 2.298(5) . ?
Pd9 Cl18 2.300(5) . ?
N13 C85 1.45(2) . ?
N13 C126 1.535(18) . ?
N13 H13N 1.0000 . ?
N14 C90 1.448(19) . ?
N14 C91 1.52(2) . ?
N14 H14N 1.0000 . ?
N15 C99 1.45(2) . ?
N15 C98 1.52(2) . ?
N15 H15N 1.0000 . ?
N16 C104 1.44(2) . ?
N16 C105 1.53(2) . ?
N16 H16N 1.0000 . ?
N17 C112 1.508(19) . ?
N17 C113 1.65(2) . ?
N17 H17N 1.0000 . ?
N18 C118 1.49(2) . ?
N18 C119 1.50(2) . ?
N18 H18N 1.0000 . ?
C85 C90 1.33(2) . ?
C85 C86 1.43(2) . ?
C86 C87 1.39(3) . ?
C86 H86 0.9500 . ?
C87 C88 1.37(3) . ?
C87 H87 0.9500 . ?
C88 C89 1.41(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.39(3) . ?
C89 H89 0.9500 . ?
C91 C92 1.59(2) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.36(3) . ?
C92 C94 1.42(2) . ?
C93 C95 1.35(2) . ?
C93 H93 0.9500 . ?
C94 C96 1.36(3) . ?
C94 H94 0.9500 . ?
C95 C97 1.39(2) . ?
C95 H95 0.9500 . ?
C96 C97 1.32(3) . ?
C96 H96 0.9500 . ?
C97 C98 1.57(2) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C104 1.36(3) . ?
C99 C100 1.40(3) . ?
C100 C101 1.33(4) . ?
C100 H100 0.9500 . ?
C101 C102 1.50(4) . ?
C101 H101 0.9500 . ?
C102 C103 1.37(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.39(3) . ?
C103 H103 0.9500 . ?
C105 C106 1.53(3) . ?
C105 H10A 0.9900 . ?
C105 H10B 0.9900 . ?
C106 C108 1.38(3) . ?
C106 C107 1.39(3) . ?
C107 C109 1.40(3) . ?
C107 H107 0.9500 . ?
C108 C110 1.38(3) . ?
C108 H108 0.9500 . ?
C109 C111 1.38(3) . ?
C109 H109 0.9500 . ?
C110 C111 1.43(3) . ?
C110 H110 0.9500 . ?
C111 C112 1.53(2) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C118 1.29(2) . ?
C113 C114 1.31(3) . ?
C114 C115 1.43(3) . ?
C114 H114 0.9500 . ?
C115 C116 1.32(3) . ?
C115 H115 0.9500 . ?
C116 C117 1.33(3) . ?
C116 H116 0.9500 . ?
C117 C118 1.43(3) . ?
C117 H117 0.9500 . ?
C119 C120 1.508(19) . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C120 C121 1.37(2) . ?
C120 C122 1.38(2) . ?
C121 C123 1.40(2) . ?
C121 H121 0.9500 . ?
C122 C124 1.37(2) . ?
C122 H122 0.9500 . ?
C123 C125 1.46(2) . ?
C123 H123 0.9500 . ?
C124 C125 1.33(2) . ?
C124 H124 0.9500 . ?
C125 C126 1.505(18) . ?
C126 H12A 0.9900 . ?
C126 H12B 0.9900 . ?
Pd10 N19 2.058(14) . ?
Pd10 N20 2.080(13) . ?
Pd10 Cl19 2.279(4) . ?
Pd10 Cl20 2.303(4) . ?
Pd11 N21 1.985(18) . ?
Pd11 N22 2.03(2) . ?
Pd11 Cl21 2.286(8) . ?
Pd11 Cl22 2.301(7) . ?
Pd12 N24 2.050(19) . ?
Pd12 N23 2.11(2) . ?
Pd12 Cl24 2.281(9) . ?
Pd12 Cl23 2.303(7) . ?
N19 C127 1.45(2) . ?
N19 C168 1.54(2) . ?
N19 H19N 1.0000 . ?
N20 C132 1.44(2) . ?
N20 C133 1.46(2) . ?
N20 H20N 1.0000 . ?
N21 C141 1.45(3) . ?
N21 C140 1.49(2) . ?
N21 H21N 1.0000 . ?
N22 C147 1.52(2) . ?
N22 C146 1.58(3) . ?
N22 H22N 1.0000 . ?
N23 C155 1.41(3) . ?
N23 C154 1.49(3) . ?
N23 H23N 1.0000 . ?
N24 C181 1.47(3) . ?
N24 C161 1.51(3) . ?
N24 H24N 1.0000 . ?
C127 C128 1.35(2) . ?
C127 C132 1.41(2) . ?
C128 C129 1.39(3) . ?
C128 H128 0.9500 . ?
C129 C130 1.39(2) . ?
C129 H129 0.9500 . ?
C130 C131 1.39(3) . ?
C130 H130 0.9500 . ?
C131 C132 1.37(2) . ?
C131 H131 0.9500 . ?
C133 C134 1.50(2) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C134 C135 1.40(2) . ?
C134 C136 1.41(3) . ?
C135 C137 1.40(2) . ?
C135 H135 0.9500 . ?
C136 C138 1.32(3) . ?
C136 H136 0.9500 . ?
C137 C139 1.36(3) . ?
C137 H137 0.9500 . ?
C138 C139 1.37(3) . ?
C138 H138 0.9500 . ?
C139 C140 1.49(2) . ?
C140 H14C 0.9900 . ?
C140 H14D 0.9900 . ?
C141 C146 1.29(3) . ?
C141 C142 1.55(3) . ?
C142 C143 1.32(4) . ?
C142 H142 0.9500 . ?
C143 C144 1.44(4) . ?
C143 H143 0.9500 . ?
C144 C145 1.43(4) . ?
C144 H144 0.9500 . ?
C145 C146 1.37(3) . ?
C145 H145 0.9500 . ?
C147 C148 1.52(3) . ?
C147 H14E 0.9900 . ?
C147 H14F 0.9900 . ?
C148 C150 1.34(3) . ?
C148 C149 1.41(3) . ?
C149 C151 1.33(3) . ?
C149 H149 0.9500 . ?
C150 C152 1.39(3) . ?
C150 H150 0.9500 . ?
C151 C153 1.48(4) . ?
C151 H151 0.9500 . ?
C152 C153 1.43(3) . ?
C152 H152 0.9500 . ?
C153 C154 1.45(3) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C155 C181 1.34(4) . ?
C155 C156 1.49(4) . ?
C156 C157 1.38(4) . ?
C156 H156 0.9500 . ?
C157 C158 1.31(4) . ?
C157 H157 0.9500 . ?
C158 C159 1.44(4) . ?
C158 H158 0.9500 . ?
C159 C181 1.39(3) . ?
C159 H159 0.9500 . ?
C161 C162 1.52(3) . ?
C161 H16A 0.9900 . ?
C161 H16B 0.9900 . ?
C162 C163 1.36(3) . ?
C162 C164 1.40(3) . ?
C163 C165 1.33(3) . ?
C163 H163 0.9500 . ?
C164 C166 1.30(3) . ?
C164 H164 0.9500 . ?
C165 C167 1.38(3) . ?
C165 H165 0.9500 . ?
C166 C167 1.42(3) . ?
C166 H166 0.9500 . ?
C167 C168 1.49(3) . ?
C168 H16C 0.9900 . ?
C168 H16D 0.9900 . ?
C1G C2G 1.41(3) . ?
C1G C6G 1.55(2) . ?
C1G C7G 1.56(3) . ?
C1G H1G 1.0000 . ?
C2G C3G 1.27(3) . ?
C2G C8G 1.44(3) . ?
C3G C4G 1.65(3) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.51(3) . ?
C4G H4G1 0.9900 . ?
C4G H4G2 0.9900 . ?
C5G C6G 1.51(3) . ?
C5G C7G 1.61(3) . ?
C5G H5G 1.0000 . ?
C6G C10G 1.47(2) . ?
C6G C9G 1.52(3) . ?
C7G H7G1 0.9900 . ?
C7G H7G2 0.9900 . ?
C8G H8G1 0.9800 . ?
C8G H8G2 0.9800 . ?
C8G H8G3 0.9800 . ?
C9G H9G1 0.9800 . ?
C9G H9G2 0.9800 . ?
C9G H9G3 0.9800 . ?
C10G H10C 0.9800 . ?
C10G H10D 0.9800 . ?
C10G H10E 0.9800 . ?
C11G C12G 1.41(3) . ?
C11G C16G 1.55(3) . ?
C11G C17G 1.56(3) . ?
C11G H11G 1.0000 . ?
C12G C13G 1.26(3) . ?
C12G C18G 1.44(3) . ?
C13G C14G 1.65(4) . ?
C13G H13G 0.9500 . ?
C14G C15G 1.51(3) . ?
C14G H14G 0.9900 . ?
C14G H14H 0.9900 . ?
C15G C16G 1.52(3) . ?
C15G C17G 1.60(3) . ?
C15G H15G 1.0000 . ?
C16G C20G 1.46(3) . ?
C16G C19G 1.53(3) . ?
C17G H17G 0.9900 . ?
C17G H17H 0.9900 . ?
C18G H18G 0.9800 . ?
C18G H18H 0.9800 . ?
C18G H18I 0.9800 . ?
C19G H19G 0.9800 . ?
C19G H19H 0.9800 . ?
C19G H19I 0.9800 . ?
C20G H20C 0.9800 . ?
C20G H20D 0.9800 . ?
C20G H20E 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl14 . . . 3.230(14) 1.000 2.270 160.6 no
N2 H2N Cl20 . . . 3.229(13) 1.000 2.342 147.3 no
N3 H3N Cl15 . . 1_556 3.198(13) 1.000 2.301 148.6 no
N4 H4N O6W . . 1_556 2.86(2) 1.000 1.950 150.5 no
N6 H6N Cl2 . . 1_455 3.152(11) 1.000 2.230 152.6 no
N10 H10N Cl23 . . 2_756 3.117(17) 1.000 2.387 129.2 no
N11 H11N Cl22 . . 2_656 3.179(19) 1.000 2.180 177.7 no
N12 H12N O2W . . 2_656 2.89(3) 1.000 1.892 172.0 no
N13 H13N Cl2 . . . 3.214(14) 1.000 2.252 161.0 no
N14 H14N Cl8 . . . 3.209(14) 1.000 2.347 143.9 no
N15 H15N Cl3 . . 1_554 3.185(13) 1.000 2.295 147.6 no
N16 H16N O4W . . 1_554 2.84(2) 1.000 1.930 149.5 no
N18 H18N Cl14 . . 1_655 3.132(12) 1.000 2.203 153.9 no
N22 H22N Cl11 . . 2_646 3.087(15) 1.000 2.367 128.2 no
N23 H23N Cl10 . . 2_746 3.20(2) 1.000 2.204 174.8 no
N24 H24N O1W . . 1_655 2.80(3) 1.000 1.805 173.6 no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C42 N1 C1 C2 75(2) . . . . ?
Pd1 N1 C1 C2 -157.7(13) . . . . ?
C42 N1 C1 C6 -104.2(16) . . . . ?
Pd1 N1 C1 C6 22.6(18) . . . . ?
N1 C1 C2 C3 -179.4(16) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C1 C2 C3 C4 3(3) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C3 C4 C5 C6 2(3) . . . . ?
C4 C5 C6 C1 1(3) . . . . ?
C4 C5 C6 N2 -170.9(15) . . . . ?
N1 C1 C6 C5 177.7(16) . . . . ?
C2 C1 C6 C5 -2(2) . . . . ?
N1 C1 C6 N2 -10(2) . . . . ?
C2 C1 C6 N2 170.3(14) . . . . ?
C7 N2 C6 C5 -65(2) . . . . ?
Pd1 N2 C6 C5 164.5(13) . . . . ?
C7 N2 C6 C1 122.8(15) . . . . ?
Pd1 N2 C6 C1 -8.1(16) . . . . ?
C6 N2 C7 C8 -73(2) . . . . ?
Pd1 N2 C7 C8 54.0(17) . . . . ?
N2 C7 C8 C10 89(2) . . . . ?
N2 C7 C8 C9 -93.2(18) . . . . ?
C10 C8 C9 C11 -1(3) . . . . ?
C7 C8 C9 C11 -179.4(17) . . . . ?
C9 C8 C10 C12 1(3) . . . . ?
C7 C8 C10 C12 179.4(17) . . . . ?
C8 C9 C11 C13 0(3) . . . . ?
C8 C10 C12 C13 0(3) . . . . ?
C9 C11 C13 C12 1(3) . . . . ?
C9 C11 C13 C14 -179.1(16) . . . . ?
C10 C12 C13 C11 -1(3) . . . . ?
C10 C12 C13 C14 179.1(16) . . . . ?
C11 C13 C14 N3 -79(2) . . . . ?
C12 C13 C14 N3 100.8(18) . . . . ?
C15 N3 C14 C13 -66.6(18) . . . . ?
Pd2 N3 C14 C13 173.1(12) . . . . ?
C14 N3 C15 C20 -103.6(16) . . . . ?
Pd2 N3 C15 C20 17.1(18) . . . . ?
C14 N3 C15 C16 76.9(17) . . . . ?
Pd2 N3 C15 C16 -162.4(11) . . . . ?
C20 C15 C16 C17 5(2) . . . . ?
N3 C15 C16 C17 -175.0(16) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C16 C17 C18 C19 -3(3) . . . . ?
C17 C18 C19 C20 3(3) . . . . ?
N3 C15 C20 C19 174.6(15) . . . . ?
C16 C15 C20 C19 -6(2) . . . . ?
N3 C15 C20 N4 -8(2) . . . . ?
C16 C15 C20 N4 171.3(14) . . . . ?
C18 C19 C20 C15 2(3) . . . . ?
C18 C19 C20 N4 -175.3(16) . . . . ?
C21 N4 C20 C15 124.2(17) . . . . ?
Pd2 N4 C20 C15 -5.6(17) . . . . ?
C21 N4 C20 C19 -59(2) . . . . ?
Pd2 N4 C20 C19 171.6(13) . . . . ?
C20 N4 C21 C22 -79(2) . . . . ?
Pd2 N4 C21 C22 46(2) . . . . ?
N4 C21 C22 C23 -87(2) . . . . ?
N4 C21 C22 C24 92(2) . . . . ?
C24 C22 C23 C25 -1(2) . . . . ?
C21 C22 C23 C25 177.8(15) . . . . ?
C23 C22 C24 C26 0(3) . . . . ?
C21 C22 C24 C26 -179.5(17) . . . . ?
C22 C23 C25 C27 0(2) . . . . ?
C22 C24 C26 C27 3(3) . . . . ?
C23 C25 C27 C26 3(2) . . . . ?
C23 C25 C27 C28 -175.3(14) . . . . ?
C24 C26 C27 C25 -5(3) . . . . ?
C24 C26 C27 C28 173.7(16) . . . . ?
C29 N5 C28 C27 -84.3(19) . . . . ?
Pd3 N5 C28 C27 155.2(14) . . . . ?
C25 C27 C28 N5 -83(2) . . . . ?
C26 C27 C28 N5 99(2) . . . . ?
C28 N5 C29 C34 -102.5(16) . . . . ?
Pd3 N5 C29 C34 17.8(14) . . . . ?
C28 N5 C29 C30 75.1(17) . . . . ?
Pd3 N5 C29 C30 -164.5(11) . . . . ?
C34 C29 C30 C31 2(2) . . . . ?
N5 C29 C30 C31 -175.0(13) . . . . ?
C29 C30 C31 C32 0(2) . . . . ?
C30 C31 C32 C33 -1(3) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C30 C29 C34 C33 -2(2) . . . . ?
N5 C29 C34 C33 175.1(12) . . . . ?
C30 C29 C34 N6 173.3(14) . . . . ?
N5 C29 C34 N6 -9.3(18) . . . . ?
C32 C33 C34 C29 0(2) . . . . ?
C32 C33 C34 N6 -175.1(14) . . . . ?
C35 N6 C34 C29 128.4(14) . . . . ?
Pd3 N6 C34 C29 -4.5(15) . . . . ?
C35 N6 C34 C33 -56.6(18) . . . . ?
Pd3 N6 C34 C33 170.5(12) . . . . ?
C34 N6 C35 C36 -78.2(16) . . . . ?
Pd3 N6 C35 C36 51.7(16) . . . . ?
N6 C35 C36 C37 -104.0(16) . . . . ?
N6 C35 C36 C38 79.7(18) . . . . ?
C38 C36 C37 C39 -2(2) . . . . ?
C35 C36 C37 C39 -178.2(14) . . . . ?
C37 C36 C38 C40 8(2) . . . . ?
C35 C36 C38 C40 -175.9(15) . . . . ?
C36 C37 C39 C41 -6(3) . . . . ?
C36 C38 C40 C41 -7(3) . . . . ?
C37 C39 C41 C40 6(3) . . . . ?
C37 C39 C41 C42 177.5(16) . . . . ?
C38 C40 C41 C39 0(3) . . . . ?
C38 C40 C41 C42 -170.4(16) . . . . ?
C39 C41 C42 N1 -80(2) . . . . ?
C40 C41 C42 N1 90(2) . . . . ?
C1 N1 C42 C41 -65(2) . . . . ?
Pd1 N1 C42 C41 171.7(12) . . . . ?
C84 N7 C43 C48 -118.6(18) . . . . ?
Pd4 N7 C43 C48 8(2) . . . . ?
C84 N7 C43 C44 64(2) . . . . ?
Pd4 N7 C43 C44 -168.5(16) . . . . ?
C48 C43 C44 C45 -3(3) . . . . ?
N7 C43 C44 C45 174.3(18) . . . . ?
C43 C44 C45 C46 2(3) . . . . ?
C44 C45 C46 C47 -2(3) . . . . ?
C45 C46 C47 C48 3(3) . . . . ?
C44 C43 C48 C47 3(3) . . . . ?
N7 C43 C48 C47 -174.0(17) . . . . ?
C44 C43 C48 N8 -176.7(17) . . . . ?
N7 C43 C48 N8 6(3) . . . . ?
C46 C47 C48 C43 -3(3) . . . . ?
C46 C47 C48 N8 176.5(18) . . . . ?
C49 N8 C48 C43 105.3(18) . . . . ?
Pd4 N8 C48 C43 -17(2) . . . . ?
C49 N8 C48 C47 -75(2) . . . . ?
Pd4 N8 C48 C47 162.8(15) . . . . ?
C48 N8 C49 C50 66.3(18) . . . . ?
Pd4 N8 C49 C50 -173.0(12) . . . . ?
N8 C49 C50 C51 76(2) . . . . ?
N8 C49 C50 C52 -95(2) . . . . ?
C52 C50 C51 C53 -3(3) . . . . ?
C49 C50 C51 C53 -174.1(18) . . . . ?
C51 C50 C52 C54 4(3) . . . . ?
C49 C50 C52 C54 173.9(18) . . . . ?
C50 C51 C53 C55 0(3) . . . . ?
C50 C52 C54 C55 0(3) . . . . ?
C51 C53 C55 C54 4(3) . . . . ?
C51 C53 C55 C56 179.6(18) . . . . ?
C52 C54 C55 C53 -3(3) . . . . ?
C52 C54 C55 C56 -179.0(18) . . . . ?
C57 N9 C56 C55 -64(2) . . . . ?
Pd5 N9 C56 C55 67(2) . . . . ?
C53 C55 C56 N9 91(3) . . . . ?
C54 C55 C56 N9 -94(3) . . . . ?
C56 N9 C57 C62 118.1(19) . . . . ?
Pd5 N9 C57 C62 -20.8(19) . . . . ?
C56 N9 C57 C58 -65(2) . . . . ?
Pd5 N9 C57 C58 156.5(16) . . . . ?
C62 C57 C58 C59 0(3) . . . . ?
N9 C57 C58 C59 -177(2) . . . . ?
C57 C58 C59 C60 1(4) . . . . ?
C58 C59 C60 C61 -4(3) . . . . ?
C59 C60 C61 C62 4(3) . . . . ?
N9 C57 C62 C61 178.3(16) . . . . ?
C58 C57 C62 C61 1(3) . . . . ?
N9 C57 C62 N10 2(2) . . . . ?
C58 C57 C62 N10 -175.8(14) . . . . ?
C60 C61 C62 C57 -3(3) . . . . ?
C60 C61 C62 N10 173.8(16) . . . . ?
C63 N10 C62 C57 -111.1(19) . . . . ?
Pd5 N10 C62 C57 17.0(16) . . . . ?
C63 N10 C62 C61 71.8(18) . . . . ?
Pd5 N10 C62 C61 -160.1(11) . . . . ?
C62 N10 C63 C64 -171.5(18) . . . . ?
Pd5 N10 C63 C64 73(2) . . . . ?
N10 C63 C64 C65 76(3) . . . . ?
N10 C63 C64 C66 -101(3) . . . . ?
C66 C64 C65 C67 -3(4) . . . . ?
C63 C64 C65 C67 180(2) . . . . ?
C65 C64 C66 C68 6(4) . . . . ?
C63 C64 C66 C68 -178(2) . . . . ?
C64 C65 C67 C69 1(4) . . . . ?
C64 C66 C68 C69 -5(4) . . . . ?
C66 C68 C69 C67 3(4) . . . . ?
C66 C68 C69 C70 -179(3) . . . . ?
C65 C67 C69 C68 -1(4) . . . . ?
C65 C67 C69 C70 -179(2) . . . . ?
C71 N11 C70 C69 78(3) . . . . ?
Pd6 N11 C70 C69 -48(3) . . . . ?
C68 C69 C70 N11 -88(3) . . . . ?
C67 C69 C70 N11 90(3) . . . . ?
C70 N11 C71 C76 -118(3) . . . . ?
Pd6 N11 C71 C76 10(2) . . . . ?
C70 N11 C71 C72 63(3) . . . . ?
Pd6 N11 C71 C72 -169.7(19) . . . . ?
C76 C71 C72 C73 -10(4) . . . . ?
N11 C71 C72 C73 170(3) . . . . ?
C71 C72 C73 C74 9(5) . . . . ?
C72 C73 C74 C75 -5(5) . . . . ?
C73 C74 C75 C76 1(4) . . . . ?
C72 C71 C76 C75 6(4) . . . . ?
N11 C71 C76 C75 -173(2) . . . . ?
C72 C71 C76 N12 -178(2) . . . . ?
N11 C71 C76 N12 3(3) . . . . ?
C74 C75 C76 C71 -2(4) . . . . ?
C74 C75 C76 N12 -177(2) . . . . ?
C77 N12 C76 C71 108(2) . . . . ?
Pd6 N12 C76 C71 -14(2) . . . . ?
C77 N12 C76 C75 -76(3) . . . . ?
Pd6 N12 C76 C75 161.9(19) . . . . ?
C76 N12 C77 C78 56(3) . . . . ?
Pd6 N12 C77 C78 177.7(19) . . . . ?
N12 C77 C78 C80 -93(3) . . . . ?
N12 C77 C78 C79 89(3) . . . . ?
C80 C78 C79 C81 2(3) . . . . ?
C77 C78 C79 C81 -180.0(17) . . . . ?
C79 C78 C80 C82 -3(3) . . . . ?
C77 C78 C80 C82 178.6(18) . . . . ?
C78 C79 C81 C83 1(3) . . . . ?
C78 C80 C82 C83 2(3) . . . . ?
C80 C82 C83 C84 179.1(16) . . . . ?
C80 C82 C83 C81 1(3) . . . . ?
C79 C81 C83 C82 -2(2) . . . . ?
C79 C81 C83 C84 179.2(16) . . . . ?
C82 C83 C84 N7 -88(2) . . . . ?
C81 C83 C84 N7 90.1(19) . . . . ?
C43 N7 C84 C83 73(2) . . . . ?
Pd4 N7 C84 C83 -51.9(19) . . . . ?
C126 N13 C85 C90 105.9(17) . . . . ?
Pd7 N13 C85 C90 -18.7(19) . . . . ?
C126 N13 C85 C86 -75.8(19) . . . . ?
Pd7 N13 C85 C86 159.6(13) . . . . ?
C90 C85 C86 C87 -4(3) . . . . ?
N13 C85 C86 C87 177.9(15) . . . . ?
C85 C86 C87 C88 -1(3) . . . . ?
C86 C87 C88 C89 5(3) . . . . ?
C87 C88 C89 C90 -3(3) . . . . ?
C86 C85 C90 C89 5(3) . . . . ?
N13 C85 C90 C89 -176.5(16) . . . . ?
C86 C85 C90 N14 -171.4(15) . . . . ?
N13 C85 C90 N14 7(2) . . . . ?
C88 C89 C90 C85 -2(3) . . . . ?
C88 C89 C90 N14 175.0(16) . . . . ?
C91 N14 C90 C85 -122.4(18) . . . . ?
Pd7 N14 C90 C85 8.8(18) . . . . ?
C91 N14 C90 C89 61(2) . . . . ?
Pd7 N14 C90 C89 -167.9(13) . . . . ?
C90 N14 C91 C92 70.4(19) . . . . ?
Pd7 N14 C91 C92 -56.4(16) . . . . ?
N14 C91 C92 C93 92(2) . . . . ?
N14 C91 C92 C94 -87(2) . . . . ?
C94 C92 C93 C95 -4(3) . . . . ?
C91 C92 C93 C95 176.8(16) . . . . ?
C93 C92 C94 C96 3(3) . . . . ?
C91 C92 C94 C96 -178.0(17) . . . . ?
C92 C93 C95 C97 6(3) . . . . ?
C92 C94 C96 C97 -4(3) . . . . ?
C94 C96 C97 C95 6(3) . . . . ?
C94 C96 C97 C98 179.2(16) . . . . ?
C93 C95 C97 C96 -7(3) . . . . ?
C93 C95 C97 C98 179.5(17) . . . . ?
C99 N15 C98 C97 66(2) . . . . ?
Pd8 N15 C98 C97 -171.2(14) . . . . ?
C96 C97 C98 N15 -100(2) . . . . ?
C95 C97 C98 N15 74(2) . . . . ?
C98 N15 C99 C104 105.4(18) . . . . ?
Pd8 N15 C99 C104 -16.2(19) . . . . ?
C98 N15 C99 C100 -74(2) . . . . ?
Pd8 N15 C99 C100 164.4(14) . . . . ?
C104 C99 C100 C101 -2(3) . . . . ?
N15 C99 C100 C101 177.6(19) . . . . ?
C99 C100 C101 C102 -2(4) . . . . ?
C100 C101 C102 C103 5(4) . . . . ?
C101 C102 C103 C104 -5(3) . . . . ?
C100 C99 C104 C103 2(3) . . . . ?
N15 C99 C104 C103 -177.2(16) . . . . ?
C100 C99 C104 N16 -172.0(17) . . . . ?
N15 C99 C104 N16 9(2) . . . . ?
C102 C103 C104 C99 1(3) . . . . ?
C102 C103 C104 N16 176(2) . . . . ?
C105 N16 C104 C99 -126.7(18) . . . . ?
Pd8 N16 C104 C99 3(2) . . . . ?
C105 N16 C104 C103 59(2) . . . . ?
Pd8 N16 C104 C103 -170.9(14) . . . . ?
C104 N16 C105 C106 81(2) . . . . ?
Pd8 N16 C105 C106 -44.8(19) . . . . ?
N16 C105 C106 C108 -87(2) . . . . ?
N16 C105 C106 C107 87.8(19) . . . . ?
C108 C106 C107 C109 -2(2) . . . . ?
C105 C106 C107 C109 -176.7(15) . . . . ?
C107 C106 C108 C110 1(3) . . . . ?
C105 C106 C108 C110 176.2(16) . . . . ?
C106 C107 C109 C111 5(3) . . . . ?
C106 C108 C110 C111 -4(3) . . . . ?
C107 C109 C111 C110 -8(2) . . . . ?
C107 C109 C111 C112 173.7(15) . . . . ?
C108 C110 C111 C109 7(2) . . . . ?
C108 C110 C111 C112 -174.5(15) . . . . ?
C113 N17 C112 C111 79.4(19) . . . . ?
Pd9 N17 C112 C111 -162.8(14) . . . . ?
C109 C111 C112 N17 78(2) . . . . ?
C110 C111 C112 N17 -101(2) . . . . ?
C112 N17 C113 C118 107.2(14) . . . . ?
Pd9 N17 C113 C118 -11.0(13) . . . . ?
C112 N17 C113 C114 -76.0(16) . . . . ?
Pd9 N17 C113 C114 165.9(11) . . . . ?
C118 C113 C114 C115 -3(3) . . . . ?
N17 C113 C114 C115 -179.4(12) . . . . ?
C113 C114 C115 C116 -1(3) . . . . ?
C114 C115 C116 C117 2(3) . . . . ?
C115 C116 C117 C118 2(3) . . . . ?
C114 C113 C118 C117 7(2) . . . . ?
N17 C113 C118 C117 -177.2(11) . . . . ?
C114 C113 C118 N18 -172.8(15) . . . . ?
N17 C113 C118 N18 3.4(18) . . . . ?
C116 C117 C118 C113 -5(2) . . . . ?
C116 C117 C118 N18 174.2(14) . . . . ?
C119 N18 C118 C113 -126.7(15) . . . . ?
Pd9 N18 C118 C113 6.0(16) . . . . ?
C119 N18 C118 C117 54.0(18) . . . . ?
Pd9 N18 C118 C117 -173.3(11) . . . . ?
C118 N18 C119 C120 76.2(19) . . . . ?
Pd9 N18 C119 C120 -53.1(19) . . . . ?
N18 C119 C120 C121 109.4(18) . . . . ?
N18 C119 C120 C122 -71(2) . . . . ?
C122 C120 C121 C123 2(2) . . . . ?
C119 C120 C121 C123 -178.0(16) . . . . ?
C121 C120 C122 C124 -1(3) . . . . ?
C119 C120 C122 C124 179.2(16) . . . . ?
C120 C121 C123 C125 -1(2) . . . . ?
C120 C122 C124 C125 -2(3) . . . . ?
C122 C124 C125 C123 4(2) . . . . ?
C122 C124 C125 C126 175.7(16) . . . . ?
C121 C123 C125 C124 -2(2) . . . . ?
C121 C123 C125 C126 -175.1(15) . . . . ?
C124 C125 C126 N13 -92(2) . . . . ?
C123 C125 C126 N13 80(2) . . . . ?
C85 N13 C126 C125 65.6(19) . . . . ?
Pd7 N13 C126 C125 -173.8(13) . . . . ?
C168 N19 C127 C128 -67(2) . . . . ?
Pd10 N19 C127 C128 167.2(17) . . . . ?
C168 N19 C127 C132 118.5(18) . . . . ?
Pd10 N19 C127 C132 -7(2) . . . . ?
C132 C127 C128 C129 0(3) . . . . ?
N19 C127 C128 C129 -174.3(19) . . . . ?
C127 C128 C129 C130 0(3) . . . . ?
C128 C129 C130 C131 1(3) . . . . ?
C129 C130 C131 C132 -3(3) . . . . ?
C130 C131 C132 C127 2(3) . . . . ?
C130 C131 C132 N20 -174.6(17) . . . . ?
C128 C127 C132 C131 -1(3) . . . . ?
N19 C127 C132 C131 173.6(16) . . . . ?
C128 C127 C132 N20 176.0(18) . . . . ?
N19 C127 C132 N20 -9(3) . . . . ?
C133 N20 C132 C131 74(2) . . . . ?
Pd10 N20 C132 C131 -162.8(14) . . . . ?
C133 N20 C132 C127 -103.0(19) . . . . ?
Pd10 N20 C132 C127 20.3(19) . . . . ?
C132 N20 C133 C134 -68.4(17) . . . . ?
Pd10 N20 C133 C134 170.8(11) . . . . ?
N20 C133 C134 C135 -83(2) . . . . ?
N20 C133 C134 C136 97(2) . . . . ?
C136 C134 C135 C137 -4(3) . . . . ?
C133 C134 C135 C137 176.3(17) . . . . ?
C135 C134 C136 C138 3(3) . . . . ?
C133 C134 C136 C138 -176.9(18) . . . . ?
C134 C135 C137 C139 1(3) . . . . ?
C134 C136 C138 C139 0(3) . . . . ?
C135 C137 C139 C138 2(3) . . . . ?
C135 C137 C139 C140 179.9(18) . . . . ?
C136 C138 C139 C137 -3(3) . . . . ?
C136 C138 C139 C140 179.5(19) . . . . ?
C141 N21 C140 C139 57(3) . . . . ?
Pd11 N21 C140 C139 -67(3) . . . . ?
C137 C139 C140 N21 -87(3) . . . . ?
C138 C139 C140 N21 91(3) . . . . ?
C140 N21 C141 C146 -111(2) . . . . ?
Pd11 N21 C141 C146 21(2) . . . . ?
C140 N21 C141 C142 65(2) . . . . ?
Pd11 N21 C141 C142 -162.6(15) . . . . ?
C146 C141 C142 C143 -6(3) . . . . ?
N21 C141 C142 C143 177.6(19) . . . . ?
C141 C142 C143 C144 2(3) . . . . ?
C142 C143 C144 C145 3(3) . . . . ?
C143 C144 C145 C146 -4(3) . . . . ?
N21 C141 C146 C145 -179(2) . . . . ?
C142 C141 C146 C145 5(3) . . . . ?
N21 C141 C146 N22 -2(3) . . . . ?
C142 C141 C146 N22 -179.0(14) . . . . ?
C144 C145 C146 C141 0(3) . . . . ?
C144 C145 C146 N22 -176.2(16) . . . . ?
C147 N22 C146 C141 115.6(18) . . . . ?
Pd11 N22 C146 C141 -17.3(16) . . . . ?
C147 N22 C146 C145 -67(2) . . . . ?
Pd11 N22 C146 C145 159.8(14) . . . . ?
C146 N22 C147 C148 168.4(17) . . . . ?
Pd11 N22 C147 C148 -68(2) . . . . ?
N22 C147 C148 C150 101(2) . . . . ?
N22 C147 C148 C149 -79(2) . . . . ?
C150 C148 C149 C151 1(3) . . . . ?
C147 C148 C149 C151 180(2) . . . . ?
C149 C148 C150 C152 1(4) . . . . ?
C147 C148 C150 C152 -179(2) . . . . ?
C148 C149 C151 C153 1(4) . . . . ?
C148 C150 C152 C153 -3(4) . . . . ?
C150 C152 C153 C154 -173(2) . . . . ?
C150 C152 C153 C151 5(3) . . . . ?
C149 C151 C153 C152 -4(4) . . . . ?
C149 C151 C153 C154 174(2) . . . . ?
C152 C153 C154 N23 86(3) . . . . ?
C151 C153 C154 N23 -92(3) . . . . ?
C155 N23 C154 C153 -70(3) . . . . ?
Pd12 N23 C154 C153 51(3) . . . . ?
C154 N23 C155 C181 116(3) . . . . ?
Pd12 N23 C155 C181 -8(3) . . . . ?
C154 N23 C155 C156 -70(3) . . . . ?
Pd12 N23 C155 C156 165.6(17) . . . . ?
C181 C155 C156 C157 2(4) . . . . ?
N23 C155 C156 C157 -172(2) . . . . ?
C155 C156 C157 C158 -3(4) . . . . ?
C156 C157 C158 C159 5(4) . . . . ?
C157 C158 C159 C181 -6(4) . . . . ?
C181 N24 C161 C162 -62(3) . . . . ?
Pd12 N24 C161 C162 179.4(16) . . . . ?
N24 C161 C162 C163 -89(3) . . . . ?
N24 C161 C162 C164 91(2) . . . . ?
C164 C162 C163 C165 1(3) . . . . ?
C161 C162 C163 C165 -178.4(18) . . . . ?
C163 C162 C164 C166 2(3) . . . . ?
C161 C162 C164 C166 -178.3(18) . . . . ?
C162 C163 C165 C167 -4(3) . . . . ?
C162 C164 C166 C167 -2(3) . . . . ?
C163 C165 C167 C166 4(3) . . . . ?
C163 C165 C167 C168 -175.8(17) . . . . ?
C164 C166 C167 C165 -1(3) . . . . ?
C164 C166 C167 C168 179.1(17) . . . . ?
C165 C167 C168 N19 -92(2) . . . . ?
C166 C167 C168 N19 88.1(19) . . . . ?
C127 N19 C168 C167 -71.2(19) . . . . ?
Pd10 N19 C168 C167 53.2(18) . . . . ?
N23 C155 C181 C159 170(2) . . . . ?
C156 C155 C181 C159 -3(3) . . . . ?
N23 C155 C181 N24 -5(3) . . . . ?
C156 C155 C181 N24 -179.2(19) . . . . ?
C158 C159 C181 C155 5(3) . . . . ?
C158 C159 C181 N24 -179.3(19) . . . . ?
C161 N24 C181 C155 -104(2) . . . . ?
Pd12 N24 C181 C155 16(2) . . . . ?
C161 N24 C181 C159 80(3) . . . . ?
Pd12 N24 C181 C159 -159.6(17) . . . . ?
C6G C1G C2G C3G -46(3) . . . . ?
C7G C1G C2G C3G 47(3) . . . . ?
C6G C1G C2G C8G 135(2) . . . . ?
C7G C1G C2G C8G -132(2) . . . . ?
C1G C2G C3G C4G 1(4) . . . . ?
C8G C2G C3G C4G -180(2) . . . . ?
C2G C3G C4G C5G 1(3) . . . . ?
C3G C4G C5G C6G 44(3) . . . . ?
C3G C4G C5G C7G -48(2) . . . . ?
C4G C5G C6G C10G 168(2) . . . . ?
C7G C5G C6G C10G -85.2(19) . . . . ?
C4G C5G C6G C9G 44(3) . . . . ?
C7G C5G C6G C9G 150.8(17) . . . . ?
C4G C5G C6G C1G -76(2) . . . . ?
C7G C5G C6G C1G 31.0(14) . . . . ?
C2G C1G C6G C10G -167.5(19) . . . . ?
C7G C1G C6G C10G 82.4(19) . . . . ?
C2G C1G C6G C5G 77.8(19) . . . . ?
C7G C1G C6G C5G -32.2(14) . . . . ?
C2G C1G C6G C9G -40(2) . . . . ?
C7G C1G C6G C9G -149.8(17) . . . . ?
C2G C1G C7G C5G -83.1(18) . . . . ?
C6G C1G C7G C5G 30.1(13) . . . . ?
C6G C5G C7G C1G -31.1(14) . . . . ?
C4G C5G C7G C1G 82.8(19) . . . . ?
C16G C11G C12G C13G -48(5) . . . . ?
C17G C11G C12G C13G 46(5) . . . . ?
C16G C11G C12G C18G 121(4) . . . . ?
C17G C11G C12G C18G -146(4) . . . . ?
C11G C12G C13G C14G 2(7) . . . . ?
C18G C12G C13G C14G -166(4) . . . . ?
C12G C13G C14G C15G -1(6) . . . . ?
C13G C14G C15G C16G 44(4) . . . . ?
C13G C14G C15G C17G -47(4) . . . . ?
C14G C15G C16G C20G 163(3) . . . . ?
C17G C15G C16G C20G -91(2) . . . . ?
C14G C15G C16G C19G 38(3) . . . . ?
C17G C15G C16G C19G 144(2) . . . . ?
C14G C15G C16G C11G -79(3) . . . . ?
C17G C15G C16G C11G 27.4(19) . . . . ?
C12G C11G C16G C20G -162(2) . . . . ?
C17G C11G C16G C20G 88(3) . . . . ?
C12G C11G C16G C15G 82(2) . . . . ?
C17G C11G C16G C15G -28.2(19) . . . . ?
C12G C11G C16G C19G -31(3) . . . . ?
C17G C11G C16G C19G -141(2) . . . . ?
C12G C11G C17G C15G -84(2) . . . . ?
C16G C11G C17G C15G 26.8(18) . . . . ?
C14G C15G C17G C11G 82(2) . . . . ?
C16G C15G C17G C11G -27.4(19) . . . . ?
