# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cd248d_sq
_database_code_depnum_ccdc_archive 'CCDC 2253145'
loop_
_audit_author_name
_audit_author_address
'Julian Jacob Holstein'
;TU Dortmund University
Germany
;
_audit_update_record             
;
2023-03-31 deposited with the CCDC.	2024-10-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_cd248d_sq           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The extremely poor scattering power of the crystals does not allow
for higher order data to be collected even though using a highly brilliant
third generation synchrotron source and a long wavelength of 0.88561 A was
chosen to increase primary beam intensity and the effective cross-section of
photons to maximize the reflection intensities and significantly push the
resolution limit to 1.2 A.
;
_vrf_PLAT088_cd248d_sq           
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.93 Note  
RESPONSE: With this structure we are clearly sailing into the macromolecular
domain of structures and have extensively used restraints in a macromolecular
fashion to compensate for limited observations.
;
_vrf_PLAT733_cd248d_sq           
;
PROBLEM: Torsion Calc    -179(10), Rep    -179(99) ......       9.90 s.u.-R
RESPONSE: Due to large s.u.'s on unit cell dimensions as well as a restrained
refienement the s.u. calculated by SHELXL appears to be extremely high.  
;
_vrf_PLAT934_cd248d_sq           
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..         25 Check 
RESPONSE: Despite using squeeze routine for solvent flattening, the number of
outliers is high reflecting the overall weak crystal quality.
;
_vrf_PLAT084_cd248d_sq           
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.45 Report
RESPONSE: The high wR2 reflects the flexibility of the structure and weak
crystal quality. Nevertheless geometry and ADP restraints ensure a chemically
and physically meaningful structural model. 
;
_vrf_PLAT260_cd248d_sq           
;
PROBLEM: Large Average Ueq of Residue Including     F2_12      0.363 Check 
RESPONSE: Structural flexibility in this supramolecular assembly is quite
high, especially for highly volatile and co-crystallized Tetrafluoroborate 
counter ions residues 11 to 16. Great care has therefore been taken during
structural modelling and the final model was verified using the experimentally
observed electron density, which supports the constructed model including
those highly flexible residues. 
;
_vrf_PLAT342_cd248d_sq           
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02242 Ang.  
RESPONSE: The flexibility of the modeled structure is reflected in the low
precision of C-C bonds. 
;
_vrf_PLAT922_cd248d_sq           
;
PROBLEM: wR2 in the CIF and FCF Differ by ...............     0.0059 Check 
RESPONSE: This might be a result of different ways to calculate the wR2. 
;
_audit_creation_method           
;
FinalCif by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C168 H92 B3.50 F14 N12 Pd2'
_chemical_formula_moiety         ?
_chemical_formula_weight         2795.17
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   25.58(3)
_cell_length_b                   37.13(3)
_cell_length_c                   38.88(4)
_cell_angle_alpha                90
_cell_angle_beta                 105.151(12)
_cell_angle_gamma                90
_cell_volume                     35649(58)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    144173
_cell_measurement_theta_min      0.961
_cell_measurement_theta_max      21.650
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Slow vapour diffusion of 3ml Di-isopropylether into solution 150 yl of 0.2 mM solution of compound in Nitromethan for two weeks.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.042
_exptl_crystal_F_000             11356
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.005
_exptl_absorpt_coefficient_mu    0.461
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.982
_shelx_estimated_absorpt_T_max   0.998
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      ?
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.88561
_diffrn_radiation_monochromator  
'double crystal monochromator (Si-111 and Si-113 reflections)'
_olex2_diffrn_ambient_temperature_device ?
_diffrn_radiation_probe          ?
_diffrn_source                   'P11@PETRA III, DESY, Hamburg, Germany'
_diffrn_source_type              ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 ?
_diffrn_detector_type            ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  
;
Eiger 2X 16M, High Precision 1-Axis Goniostat with Staübli sample changing
robot
;
_diffrn_measurement_method       '360° π scan'
_diffrn_measurement_specimen_support ?
_diffrn_reflns_number            144173
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_theta_min         0.961
_diffrn_reflns_theta_max         21.650
_diffrn_reflns_theta_full        21.650
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             21294
_reflns_number_gt                11487
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'costum designed P11 GUI'
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         21294
_refine_ls_number_parameters     3592
_refine_ls_number_restraints     8052
_refine_ls_R_factor_all          0.1964
_refine_ls_R_factor_gt           0.1520
_refine_ls_wR_factor_ref         0.4491
_refine_ls_wR_factor_gt          0.4177
_refine_ls_goodness_of_fit_ref   1.678
_refine_ls_restrained_S_all      1.475
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.456
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0060 0.0028 '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'
N N 0.0112 0.0056 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.5543 1.5185 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0283 0.0171 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0028 0.0012 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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_1 Pd 0.44270(9) 0.29582(6) 0.90423(6) 0.1984(10) Uani 1 1 d . U . . .
Pd2_1 Pd 0.67586(7) 0.27356(4) 0.62983(5) 0.1546(8) Uani 1 1 d . U . . .
N1_2 N 0.5957(5) 0.0370(3) 0.7972(4) 0.201(5) Uani 1 1 d D U . . .
C2_2 C 0.5658(6) 0.0620(3) 0.8110(4) 0.204(5) Uani 1 1 d D U . . .
C3_2 C 0.5313(6) 0.0557(4) 0.8325(5) 0.210(6) Uani 1 1 d D U . . .
H3_2 H 0.5276 0.0324 0.8416 0.252 Uiso 1 1 calc R U . . .
C4_2 C 0.5025(7) 0.0847(4) 0.8402(5) 0.205(6) Uani 1 1 d D U . . .
H4_2 H 0.4786 0.0814 0.8550 0.246 Uiso 1 1 calc R U . . .
C5_2 C 0.5081(6) 0.1188(4) 0.8267(4) 0.201(6) Uani 1 1 d D U . . .
C6_2 C 0.5431(6) 0.1252(3) 0.8053(5) 0.195(6) Uani 1 1 d D U . . .
H6_2 H 0.5469 0.1487 0.7965 0.234 Uiso 1 1 calc R U . . .
C7_2 C 0.5725(6) 0.0964(3) 0.7972(4) 0.203(5) Uani 1 1 d D U . . .
C8_2 C 0.6083(6) 0.0920(3) 0.7745(4) 0.204(5) Uani 1 1 d D U . . .
C9_2 C 0.6299(7) 0.1156(4) 0.7541(5) 0.206(6) Uani 1 1 d D U . . .
H9_2 H 0.6210 0.1405 0.7532 0.247 Uiso 1 1 calc R U . . .
C10_2 C 0.6648(6) 0.1023(4) 0.7349(4) 0.204(6) Uani 1 1 d D U . . .
C11_2 C 0.6774(7) 0.0656(4) 0.7354(5) 0.207(6) Uani 1 1 d D U . . .
H11_2 H 0.7008 0.0569 0.7219 0.248 Uiso 1 1 calc R U . . .
C12_2 C 0.6560(7) 0.0417(4) 0.7554(5) 0.207(6) Uani 1 1 d D U . . .
H12_2 H 0.6644 0.0167 0.7557 0.249 Uiso 1 1 calc R U . . .
C13_2 C 0.6220(6) 0.0549(3) 0.7751(4) 0.206(6) Uani 1 1 d D U . . .
C14_2 C 0.5907(6) -0.0009(3) 0.8013(5) 0.203(6) Uani 1 1 d D U . . .
C15_2 C 0.5748(7) -0.0227(4) 0.7716(5) 0.199(6) Uani 1 1 d D U . . .
H15_2 H 0.5705 -0.0129 0.7484 0.239 Uiso 1 1 calc R U . . .
C16_2 C 0.5650(5) -0.0596(3) 0.7761(4) 0.191(6) Uani 1 1 d D U . . .
C17_2 C 0.5477(7) -0.0832(4) 0.7463(4) 0.194(6) Uani 1 1 d D U . . .
H17_2 H 0.5448 -0.0747 0.7229 0.233 Uiso 1 1 calc R U . . .
C18_2 C 0.5354(6) -0.1178(4) 0.7517(4) 0.182(6) Uani 1 1 d D U . . .
H18_2 H 0.5250 -0.1335 0.7317 0.219 Uiso 1 1 calc R U . . .
C19_2 C 0.5374(5) -0.1315(3) 0.7858(4) 0.180(6) Uani 1 1 d D U . . .
C20_2 C 0.5191(6) -0.1665(4) 0.7917(5) 0.187(6) Uani 1 1 d D U . . .
H20_2 H 0.5060 -0.1821 0.7720 0.225 Uiso 1 1 calc R U . . .
C21_2 C 0.5200(7) -0.1781(4) 0.8250(5) 0.195(7) Uani 1 1 d D U . . .
H21_2 H 0.5063 -0.2014 0.8277 0.234 Uiso 1 1 calc R U . . .
C22_2 C 0.5399(7) -0.1576(4) 0.8546(5) 0.194(6) Uani 1 1 d D U . . .
H22_2 H 0.5412 -0.1669 0.8776 0.233 Uiso 1 1 calc R U . . .
C23_2 C 0.5584(5) -0.1221(4) 0.8507(4) 0.191(6) Uani 1 1 d D U . . .
C24_2 C 0.5766(7) -0.0988(4) 0.8802(4) 0.207(6) Uani 1 1 d D U . . .
H24_2 H 0.5787 -0.1074 0.9035 0.248 Uiso 1 1 calc R U . . .
C25_2 C 0.5910(7) -0.0643(4) 0.8755(4) 0.202(6) Uani 1 1 d D U . . .
H25_2 H 0.6035 -0.0491 0.8957 0.243 Uiso 1 1 calc R U . . .
C26_2 C 0.5876(6) -0.0507(4) 0.8411(4) 0.197(6) Uani 1 1 d D U . . .
C27_2 C 0.5985(7) -0.0141(4) 0.8353(5) 0.202(6) Uani 1 1 d D U . . .
H27_2 H 0.6115 0.0014 0.8551 0.243 Uiso 1 1 calc R U . . .
C28_2 C 0.5562(5) -0.1094(3) 0.8158(4) 0.183(5) Uani 1 1 d D U . . .
C29_2 C 0.5705(5) -0.0730(3) 0.8109(4) 0.189(5) Uani 1 1 d D U . . .
C30_2 C 0.4762(7) 0.1474(5) 0.8355(6) 0.213(7) Uani 1 1 d D U . . .
C31_2 C 0.4468(8) 0.1679(5) 0.8452(6) 0.219(7) Uani 1 1 d D U . . .
C32_2 C 0.4135(6) 0.1933(4) 0.8573(5) 0.214(6) Uani 1 1 d D U . . .
C33_2 C 0.3627(7) 0.1834(4) 0.8608(6) 0.223(7) Uani 1 1 d D U . . .
H33_2 H 0.3484 0.1601 0.8538 0.268 Uiso 1 1 calc R U . . .
C34_2 C 0.3333(7) 0.2082(5) 0.8748(6) 0.218(7) Uani 1 1 d D U . . .
H34_2 H 0.2986 0.2021 0.8778 0.261 Uiso 1 1 calc R U . . .
C35_2 C 0.3553(8) 0.2417(5) 0.8843(5) 0.203(7) Uani 1 1 d D U . . .
H35_2 H 0.3348 0.2587 0.8936 0.243 Uiso 1 1 calc R U . . .
N36_2 N 0.4039(7) 0.2515(4) 0.8812(5) 0.198(6) Uani 1 1 d D U . . .
C37_2 C 0.4326(7) 0.2280(4) 0.8676(5) 0.201(6) Uani 1 1 d D U . . .
H37_2 H 0.4669 0.2350 0.8648 0.242 Uiso 1 1 calc R U . . .
C38_2 C 0.6882(7) 0.1268(5) 0.7143(5) 0.197(6) Uani 1 1 d D U . . .
C39_2 C 0.7077(8) 0.1459(5) 0.6960(5) 0.189(6) Uani 1 1 d D U . . .
C40_2 C 0.7278(6) 0.1711(4) 0.6745(4) 0.182(5) Uani 1 1 d D U . . .
C41_2 C 0.7732(6) 0.1639(4) 0.6625(5) 0.184(6) Uani 1 1 d D U . . .
H41_2 H 0.7915 0.1415 0.6679 0.220 Uiso 1 1 calc R U . . .
C42_2 C 0.7917(6) 0.1895(5) 0.6425(5) 0.183(6) Uani 1 1 d D U . . .
H42_2 H 0.8233 0.1851 0.6346 0.220 Uiso 1 1 calc R U . . .
C43_2 C 0.7637(7) 0.2214(4) 0.6343(5) 0.175(6) Uani 1 1 d D U . . .
H43_2 H 0.7764 0.2388 0.6204 0.210 Uiso 1 1 calc R U . . .
N44_2 N 0.7191(6) 0.2291(3) 0.6451(4) 0.168(5) Uani 1 1 d D U . . .
C45_2 C 0.7022(6) 0.2043(4) 0.6646(4) 0.175(6) Uani 1 1 d D U . . .
H45_2 H 0.6707 0.2095 0.6723 0.210 Uiso 1 1 calc R U . . .
N1_3 N 0.2229(4) 0.2975(4) 0.6022(3) 0.191(5) Uani 1 1 d D U . . .
C2_3 C 0.2378(5) 0.3083(4) 0.6377(3) 0.180(5) Uani 1 1 d D U . . .
C3_3 C 0.2063(5) 0.3214(4) 0.6588(4) 0.173(6) Uani 1 1 d D U . . .
H3_3 H 0.1685 0.3251 0.6494 0.207 Uiso 1 1 calc R U . . .
C4_3 C 0.2310(6) 0.3287(4) 0.6940(4) 0.165(6) Uani 1 1 d D U . . .
H4_3 H 0.2096 0.3372 0.7089 0.198 Uiso 1 1 calc R U . . .
C5_3 C 0.2864(6) 0.3240(4) 0.7083(3) 0.163(5) Uani 1 1 d D U . . .
C6_3 C 0.3185(5) 0.3114(4) 0.6870(3) 0.169(6) Uani 1 1 d D U . . .
H6_3 H 0.3564 0.3085 0.6965 0.203 Uiso 1 1 calc R U . . .
C7_3 C 0.2942(5) 0.3031(4) 0.6514(3) 0.175(5) Uani 1 1 d D U . . .
C8_3 C 0.3140(5) 0.2888(4) 0.6225(3) 0.185(5) Uani 1 1 d D U . . .
C9_3 C 0.3647(5) 0.2780(5) 0.6193(4) 0.190(6) Uani 1 1 d D U . . .
H9_3 H 0.3955 0.2793 0.6392 0.228 Uiso 1 1 calc R U . . .
C10_3 C 0.3698(5) 0.2653(4) 0.5866(4) 0.200(6) Uani 1 1 d D U . . .
C11_3 C 0.3251(6) 0.2628(5) 0.5569(4) 0.208(7) Uani 1 1 d D U . . .
H11_3 H 0.3294 0.2540 0.5349 0.250 Uiso 1 1 calc R U . . .
C12_3 C 0.2743(6) 0.2733(5) 0.5599(4) 0.210(7) Uani 1 1 d D U . . .
H12_3 H 0.2437 0.2718 0.5400 0.252 Uiso 1 1 calc R U . . .
C13_3 C 0.2689(5) 0.2861(4) 0.5925(3) 0.194(6) Uani 1 1 d D U . . .
C14_3 C 0.1683(5) 0.2962(5) 0.5811(4) 0.202(6) Uani 1 1 d D U . . .
C15_3 C 0.1511(6) 0.3165(5) 0.5508(5) 0.213(7) Uani 1 1 d D U . . .
H15_3 H 0.1769 0.3302 0.5426 0.255 Uiso 1 1 calc R U . . .
C16_3 C 0.0960(6) 0.3176(4) 0.5314(4) 0.217(6) Uani 1 1 d D U . . .
C17_3 C 0.0770(7) 0.3385(5) 0.5003(5) 0.244(8) Uani 1 1 d D U . . .
H17_3 H 0.1024 0.3512 0.4910 0.293 Uiso 1 1 calc R U . . .
C18_3 C 0.0238(7) 0.3412(5) 0.4835(5) 0.248(8) Uani 1 1 d D U . . .
H18_3 H 0.0127 0.3556 0.4627 0.297 Uiso 1 1 calc R U . . .
C19_3 C -0.0156(7) 0.3228(5) 0.4965(4) 0.253(7) Uani 1 1 d D U . . .
C20_3 C -0.0721(7) 0.3270(6) 0.4814(5) 0.266(8) Uani 1 1 d D U . . .
H20_3 H -0.0847 0.3418 0.4610 0.320 Uiso 1 1 calc R U . . .
C21_3 C -0.1084(7) 0.3100(6) 0.4958(6) 0.274(9) Uani 1 1 d D U . . .
H21_3 H -0.1460 0.3144 0.4863 0.329 Uiso 1 1 calc R U . . .
C22_3 C -0.0919(7) 0.2869(6) 0.5237(6) 0.263(8) Uani 1 1 d D U . . .
H22_3 H -0.1182 0.2744 0.5324 0.316 Uiso 1 1 calc R U . . .
C23_3 C -0.0360(6) 0.2810(4) 0.5402(4) 0.231(7) Uani 1 1 d D U . . .
C24_3 C -0.0167(7) 0.2579(5) 0.5697(5) 0.221(7) Uani 1 1 d D U . . .
H24_3 H -0.0420 0.2443 0.5784 0.265 Uiso 1 1 calc R U . . .
C25_3 C 0.0368(7) 0.2547(5) 0.5861(5) 0.218(7) Uani 1 1 d D U . . .
H25_3 H 0.0483 0.2384 0.6055 0.262 Uiso 1 1 calc R U . . .
C26_3 C 0.0760(6) 0.2753(4) 0.5746(4) 0.212(6) Uani 1 1 d D U . . .
C27_3 C 0.1316(6) 0.2752(5) 0.5923(5) 0.203(7) Uani 1 1 d D U . . .
H27_3 H 0.1441 0.2601 0.6125 0.244 Uiso 1 1 calc R U . . .
C28_3 C 0.0019(6) 0.3002(4) 0.5266(4) 0.232(6) Uani 1 1 d D U . . .
C29_3 C 0.0581(5) 0.2975(4) 0.5441(4) 0.219(6) Uani 1 1 d D U . . .
C30_3 C 0.3100(7) 0.3315(4) 0.7455(3) 0.164(6) Uani 1 1 d D U . . .
C31_3 C 0.3231(8) 0.3381(4) 0.7768(3) 0.164(6) Uani 1 1 d D U . . .
C32_3 C 0.3353(6) 0.3437(4) 0.8147(3) 0.168(5) Uani 1 1 d D U . . .
C33_3 C 0.3055(6) 0.3689(4) 0.8288(5) 0.183(6) Uani 1 1 d D U . . .
H33_3 H 0.2785 0.3834 0.8136 0.219 Uiso 1 1 calc R U . . .
C34_3 C 0.3168(8) 0.3720(5) 0.8654(5) 0.193(7) Uani 1 1 d D U . . .
H34_3 H 0.2973 0.3885 0.8760 0.232 Uiso 1 1 calc R U . . .
C35_3 C 0.3571(8) 0.3505(5) 0.8863(4) 0.191(6) Uani 1 1 d D U . . .
H35_3 H 0.3639 0.3530 0.9114 0.229 Uiso 1 1 calc R U . . .
N36_3 N 0.3872(6) 0.3268(4) 0.8744(4) 0.174(5) Uani 1 1 d D U . . .
C37_3 C 0.3756(6) 0.3244(4) 0.8387(4) 0.169(6) Uani 1 1 d D U . . .
H37_3 H 0.3967 0.3081 0.8290 0.203 Uiso 1 1 calc R U . . .
C38_3 C 0.4220(5) 0.2543(5) 0.5836(6) 0.192(7) Uani 1 1 d D U . . .
C39_3 C 0.4656(5) 0.2447(5) 0.5813(6) 0.183(6) Uani 1 1 d D U . . .
C40_3 C 0.5191(5) 0.2362(4) 0.5789(5) 0.189(6) Uani 1 1 d D U . . .
C41_3 C 0.5263(6) 0.2152(5) 0.5509(5) 0.211(7) Uani 1 1 d D U . . .
H41_3 H 0.4961 0.2044 0.5346 0.253 Uiso 1 1 calc R U . . .
C42_3 C 0.5782(7) 0.2103(5) 0.5469(5) 0.216(7) Uani 1 1 d D U . . .
H42_3 H 0.5842 0.1966 0.5277 0.259 Uiso 1 1 calc R U . . .
C43_3 C 0.6207(7) 0.2257(5) 0.5717(5) 0.199(7) Uani 1 1 d D U . . .
H43_3 H 0.6560 0.2226 0.5687 0.239 Uiso 1 1 calc R U . . .
N44_3 N 0.6155(6) 0.2446(4) 0.5998(4) 0.180(5) Uani 1 1 d D U . . .
C45_3 C 0.5650(6) 0.2502(5) 0.6028(4) 0.186(6) Uani 1 1 d D U . . .
H45_3 H 0.5604 0.2643 0.6222 0.223 Uiso 1 1 calc R U . . .
N1_4 N 0.5772(5) 0.5300(3) 0.7696(3) 0.179(5) Uani 1 1 d D U . . .
C2_4 C 0.5722(6) 0.5114(3) 0.7998(3) 0.183(5) Uani 1 1 d D U . . .
C3_4 C 0.5719(7) 0.5242(4) 0.8334(4) 0.193(6) Uani 1 1 d D U . . .
H3_4 H 0.5740 0.5493 0.8383 0.232 Uiso 1 1 calc R U . . .
C4_4 C 0.5685(7) 0.4997(4) 0.8594(4) 0.201(6) Uani 1 1 d D U . . .
H4A_4 H 0.5685 0.5079 0.8826 0.241 Uiso 1 1 calc R U . . .
C5_4 C 0.5650(7) 0.4626(4) 0.8520(4) 0.206(6) Uani 1 1 d D U . . .
C6_4 C 0.5654(7) 0.4497(4) 0.8184(4) 0.197(6) Uani 1 1 d D U . . .
H6_4 H 0.5635 0.4246 0.8136 0.237 Uiso 1 1 calc R U . . .
C7_4 C 0.5684(6) 0.4743(3) 0.7920(3) 0.178(5) Uani 1 1 d D U . . .
C8_4 C 0.5702(5) 0.4702(3) 0.7552(3) 0.171(5) Uani 1 1 d D U . . .
C9_4 C 0.5690(6) 0.4409(3) 0.7327(4) 0.167(5) Uani 1 1 d D U . . .
H9_4 H 0.5658 0.4170 0.7408 0.200 Uiso 1 1 calc R U . . .
C10_4 C 0.5727(6) 0.4470(3) 0.6980(4) 0.167(5) Uani 1 1 d D U . . .
C11_4 C 0.5760(6) 0.4818(4) 0.6856(4) 0.168(6) Uani 1 1 d D U . . .
H11_4 H 0.5769 0.4854 0.6616 0.202 Uiso 1 1 calc R U . . .
C12_4 C 0.5779(6) 0.5115(4) 0.7076(3) 0.168(6) Uani 1 1 d D U . . .
H12_4 H 0.5807 0.5352 0.6991 0.201 Uiso 1 1 calc R U . . .
C13_4 C 0.5756(5) 0.5052(3) 0.7423(3) 0.172(5) Uani 1 1 d D U . . .
C14_4 C 0.5807(6) 0.5679(3) 0.7657(4) 0.177(5) Uani 1 1 d D U . . .
C15_4 C 0.6209(7) 0.5828(3) 0.7529(5) 0.176(6) Uani 1 1 d D U . . .
H15_4 H 0.6464 0.5675 0.7463 0.211 Uiso 1 1 calc R U . . .
C16_4 C 0.6247(6) 0.6203(3) 0.7493(4) 0.182(5) Uani 1 1 d D U . . .
C17_4 C 0.6656(6) 0.6362(4) 0.7361(5) 0.191(6) Uani 1 1 d D U . . .
H17_4 H 0.6921 0.6212 0.7302 0.230 Uiso 1 1 calc R U . . .
C18_4 C 0.6680(6) 0.6727(4) 0.7316(5) 0.196(6) Uani 1 1 d D U . . .
H18_4 H 0.6958 0.6828 0.7225 0.236 Uiso 1 1 calc R U . . .
C19_4 C 0.6291(6) 0.6955(4) 0.7404(4) 0.202(6) Uani 1 1 d D U . . .
C20_4 C 0.6288(7) 0.7333(4) 0.7356(5) 0.215(7) Uani 1 1 d D U . . .
H20A_4 H 0.6561 0.7441 0.7266 0.257 Uiso 1 1 calc R U . . .
C21_4 C 0.5903(8) 0.7545(4) 0.7437(6) 0.227(7) Uani 1 1 d D U . . .
H21_4 H 0.5908 0.7797 0.7397 0.272 Uiso 1 1 calc R U . . .
C22_4 C 0.5509(7) 0.7402(4) 0.7576(5) 0.226(7) Uani 1 1 d D U . . .
H22_4 H 0.5247 0.7555 0.7634 0.271 Uiso 1 1 calc R U . . .
C23_4 C 0.5491(6) 0.7025(4) 0.7635(4) 0.213(6) Uani 1 1 d D U . . .
C24_4 C 0.5097(7) 0.6863(4) 0.7780(5) 0.215(7) Uani 1 1 d D U . . .
H24_4 H 0.4840 0.7012 0.7847 0.257 Uiso 1 1 calc R U . . .
C25_4 C 0.5073(6) 0.6500(4) 0.7826(5) 0.207(6) Uani 1 1 d D U . . .
H25_4 H 0.4799 0.6401 0.7923 0.248 Uiso 1 1 calc R U . . .
C26_4 C 0.5452(6) 0.6271(3) 0.7731(4) 0.193(6) Uani 1 1 d D U . . .
C27_4 C 0.5429(7) 0.5896(3) 0.7759(5) 0.187(6) Uani 1 1 d D U . . .
H27_4 H 0.5153 0.5789 0.7848 0.225 Uiso 1 1 calc R U . . .
C28_4 C 0.5881(6) 0.6802(3) 0.7544(4) 0.201(6) Uani 1 1 d D U . . .
C29_4 C 0.5861(5) 0.6423(3) 0.7592(4) 0.189(5) Uani 1 1 d D U . . .
C30_4 C 0.5617(9) 0.4373(5) 0.8791(5) 0.233(7) Uani 1 1 d D U . . .
C31_4 C 0.5580(9) 0.4145(5) 0.9003(6) 0.249(8) Uani 1 1 d D U . . .
C32_4 C 0.5442(8) 0.3858(5) 0.9210(5) 0.253(8) Uani 1 1 d D U . . .
C33_4 C 0.5706(9) 0.3821(6) 0.9572(5) 0.274(9) Uani 1 1 d D U . . .
H33_4 H 0.6011 0.3967 0.9677 0.329 Uiso 1 1 calc R U . . .
C34_4 C 0.5519(10) 0.3570(6) 0.9776(5) 0.277(9) Uani 1 1 d D U . . .
H34_4 H 0.5688 0.3544 1.0023 0.333 Uiso 1 1 calc R U . . .
C35_4 C 0.5079(10) 0.3360(6) 0.9607(6) 0.262(8) Uani 1 1 d D U . . .
H35_4 H 0.4940 0.3194 0.9747 0.315 Uiso 1 1 calc R U . . .
N36_4 N 0.4842(7) 0.3378(5) 0.9261(6) 0.231(6) Uani 1 1 d D U . . .
C37_4 C 0.5019(8) 0.3621(5) 0.9066(5) 0.230(8) Uani 1 1 d D U . . .
H37_4 H 0.4850 0.3633 0.8818 0.276 Uiso 1 1 calc R U . . .
C38_4 C 0.5736(7) 0.4172(4) 0.6748(5) 0.172(6) Uani 1 1 d D U . . .
C39_4 C 0.5780(7) 0.3951(5) 0.6532(5) 0.178(6) Uani 1 1 d D U . . .
C40_4 C 0.5862(6) 0.3707(4) 0.6268(4) 0.175(6) Uani 1 1 d D U . . .
C41_4 C 0.5673(7) 0.3783(4) 0.5906(4) 0.192(6) Uani 1 1 d D U . . .
H41_4 H 0.5444 0.3985 0.5827 0.230 Uiso 1 1 calc R U . . .
C42_4 C 0.5822(7) 0.3562(5) 0.5662(4) 0.191(6) Uani 1 1 d D U . . .
H42_4 H 0.5706 0.3612 0.5414 0.230 Uiso 1 1 calc R U . . .
C43_4 C 0.6145(7) 0.3263(5) 0.5788(5) 0.171(6) Uani 1 1 d D U . . .
H43_4 H 0.6247 0.3111 0.5619 0.206 Uiso 1 1 calc R U . . .
N44_4 N 0.6319(5) 0.3179(3) 0.6130(5) 0.159(5) Uani 1 1 d D U . . .
C45_4 C 0.6180(6) 0.3396(4) 0.6365(4) 0.159(5) Uani 1 1 d D U . . .
H45_4 H 0.6302 0.3338 0.6611 0.190 Uiso 1 1 calc R U . . .
N1_5 N 0.8949(5) 0.2885(4) 0.9308(3) 0.205(5) Uani 1 1 d D U . . .
C2_5 C 0.8461(5) 0.2777(4) 0.9375(3) 0.216(6) Uani 1 1 d D U . . .
C3_5 C 0.8348(6) 0.2714(5) 0.9701(4) 0.222(7) Uani 1 1 d D U . . .
H3_5 H 0.8625 0.2723 0.9918 0.267 Uiso 1 1 calc R U . . .
C4_5 C 0.7819(7) 0.2639(6) 0.9697(5) 0.228(7) Uani 1 1 d D U . . .
H4_5 H 0.7726 0.2602 0.9916 0.273 Uiso 1 1 calc R U . . .
C5_5 C 0.7420(6) 0.2618(5) 0.9378(5) 0.220(7) Uani 1 1 d D U . . .
C6_5 C 0.7532(5) 0.2671(5) 0.9050(4) 0.215(7) Uani 1 1 d D U . . .
H6_5 H 0.7256 0.2648 0.8833 0.258 Uiso 1 1 calc R U . . .
C7_5 C 0.8062(5) 0.2759(4) 0.9048(4) 0.210(6) Uani 1 1 d D U . . .
C8_5 C 0.8318(5) 0.2860(4) 0.8772(3) 0.190(6) Uani 1 1 d D U . . .
C9_5 C 0.8135(6) 0.2895(4) 0.8403(3) 0.177(6) Uani 1 1 d D U . . .
H9_5 H 0.7767 0.2849 0.8285 0.213 Uiso 1 1 calc R U . . .
C10_5 C 0.8498(6) 0.3000(4) 0.8212(3) 0.174(6) Uani 1 1 d D U . . .
C11_5 C 0.9040(6) 0.3064(5) 0.8384(4) 0.185(6) Uani 1 1 d D U . . .
H11_5 H 0.9283 0.3132 0.8248 0.222 Uiso 1 1 calc R U . . .
C12_5 C 0.9231(6) 0.3031(4) 0.8750(4) 0.186(6) Uani 1 1 d D U . . .
H12_5 H 0.9601 0.3074 0.8867 0.223 Uiso 1 1 calc R U . . .
C13_5 C 0.8865(5) 0.2934(4) 0.8942(3) 0.192(6) Uani 1 1 d D U . . .
C14_5 C 0.9437(6) 0.2941(5) 0.9572(4) 0.205(6) Uani 1 1 d D U . . .
C15_5 C 0.9898(6) 0.2766(5) 0.9552(4) 0.200(7) Uani 1 1 d D U . . .
H15_5 H 0.9894 0.2608 0.9360 0.240 Uiso 1 1 calc R U . . .
C16_5 C 1.0379(6) 0.2824(4) 0.9821(4) 0.207(6) Uani 1 1 d D U . . .
C17_5 C 1.0872(7) 0.2656(5) 0.9808(5) 0.213(7) Uani 1 1 d D U . . .
H17_5 H 1.0875 0.2490 0.9623 0.255 Uiso 1 1 calc R U . . .
C18_5 C 1.1334(7) 0.2729(5) 1.0057(5) 0.221(7) Uani 1 1 d D U . . .
H18_5 H 1.1659 0.2614 1.0043 0.265 Uiso 1 1 calc R U . . .
C19_5 C 1.1349(6) 0.2974(4) 1.0338(4) 0.231(7) Uani 1 1 d D U . . .
C20_5 C 1.1838(7) 0.3063(6) 1.0593(6) 0.258(8) Uani 1 1 d D U . . .
H20_5 H 1.2166 0.2951 1.0581 0.309 Uiso 1 1 calc R U . . .
C21_5 C 1.1842(8) 0.3306(6) 1.0856(5) 0.268(9) Uani 1 1 d D U . . .
H21_5 H 1.2175 0.3361 1.1024 0.322 Uiso 1 1 calc R U . . .
C22_5 C 1.1375(8) 0.3473(6) 1.0883(5) 0.265(8) Uani 1 1 d D U . . .
H22_5 H 1.1390 0.3643 1.1068 0.318 Uiso 1 1 calc R U . . .
C23_5 C 1.0872(7) 0.3394(4) 1.0638(4) 0.244(7) Uani 1 1 d D U . . .
C24_5 C 1.0378(8) 0.3562(5) 1.0647(5) 0.252(8) Uani 1 1 d D U . . .
H24_5 H 1.0374 0.3726 1.0834 0.302 Uiso 1 1 calc R U . . .
C25_5 C 0.9916(7) 0.3494(5) 1.0396(5) 0.244(8) Uani 1 1 d D U . . .
H25_5 H 0.9593 0.3615 1.0407 0.293 Uiso 1 1 calc R U . . .
C26_5 C 0.9899(6) 0.3248(4) 1.0116(4) 0.229(7) Uani 1 1 d D U . . .
C27_5 C 0.9425(7) 0.3177(5) 0.9845(5) 0.221(7) Uani 1 1 d D U . . .
H27_5 H 0.9096 0.3292 0.9850 0.265 Uiso 1 1 calc R U . . .
C28_5 C 1.0868(6) 0.3142(4) 1.0364(4) 0.226(6) Uani 1 1 d D U . . .
C29_5 C 1.0378(6) 0.3067(4) 1.0102(4) 0.217(6) Uani 1 1 d D U . . .
C30_5 C 0.6870(6) 0.2546(6) 0.9382(6) 0.234(7) Uani 1 1 d D U . . .
C31_5 C 0.6454(6) 0.2485(6) 0.9455(7) 0.250(8) Uani 1 1 d D U . . .
C32_5 C 0.5927(6) 0.2450(5) 0.9514(5) 0.252(7) Uani 1 1 d D U . . .
C33_5 C 0.5823(8) 0.2214(6) 0.9767(6) 0.271(8) Uani 1 1 d D U . . .
H33_5 H 0.6102 0.2064 0.9903 0.325 Uiso 1 1 calc R U . . .
C34_5 C 0.5306(9) 0.2203(6) 0.9817(6) 0.275(9) Uani 1 1 d D U . . .
H34_5 H 0.5223 0.2050 0.9991 0.330 Uiso 1 1 calc R U . . .
C35_5 C 0.4916(8) 0.2422(6) 0.9604(6) 0.263(8) Uani 1 1 d D U . . .
H35_5 H 0.4561 0.2413 0.9636 0.316 Uiso 1 1 calc R U . . .
N36_5 N 0.5004(7) 0.2645(5) 0.9359(5) 0.234(7) Uani 1 1 d D U . . .
C37_5 C 0.5505(8) 0.2660(5) 0.9317(5) 0.234(7) Uani 1 1 d D U . . .
H37_5 H 0.5576 0.2822 0.9145 0.281 Uiso 1 1 calc R U . . .
C38_5 C 0.8295(8) 0.3067(4) 0.7837(3) 0.170(6) Uani 1 1 d D U . . .
C39_5 C 0.8146(7) 0.3135(4) 0.7528(3) 0.167(6) Uani 1 1 d D U . . .
C40_5 C 0.7958(6) 0.3195(4) 0.7151(3) 0.159(5) Uani 1 1 d D U . . .
C41_5 C 0.8188(6) 0.3464(4) 0.6986(4) 0.153(6) Uani 1 1 d D U . . .
H41_5 H 0.8466 0.3615 0.7122 0.184 Uiso 1 1 calc R U . . .
C42_5 C 0.8004(6) 0.3506(4) 0.6621(4) 0.152(6) Uani 1 1 d D U . . .
H42_5 H 0.8158 0.3682 0.6499 0.182 Uiso 1 1 calc R U . . .
C43_5 C 0.7594(6) 0.3289(4) 0.6441(4) 0.155(5) Uani 1 1 d D U . . .
H43_5 H 0.7465 0.3325 0.6192 0.186 Uiso 1 1 calc R U . . .
N44_5 N 0.7358(5) 0.3029(4) 0.6586(4) 0.151(4) Uani 1 1 d D U . . .
C45_5 C 0.7545(6) 0.2986(4) 0.6938(4) 0.152(5) Uani 1 1 d D U . . .
H45_5 H 0.7388 0.2802 0.7050 0.183 Uiso 1 1 calc R U . . .
Pd3_6 Pd 1.17025(9) 0.48833(5) 0.63371(7) 0.1986(10) Uani 1 1 d . U . . .
Pd4_6 Pd 0.94300(9) 0.45615(5) 0.89652(6) 0.1882(10) Uani 1 1 d . U . . .
N1_7 N 1.0871(5) 0.2243(3) 0.7692(3) 0.175(5) Uani 1 1 d D U . . .
C2_7 C 1.0858(5) 0.2493(3) 0.7424(3) 0.167(5) Uani 1 1 d D U . . .
C3_7 C 1.0888(7) 0.2444(3) 0.7076(3) 0.173(6) Uani 1 1 d D U . . .
H3_7 H 1.0929 0.2210 0.6988 0.207 Uiso 1 1 calc R U . . .
C4_7 C 1.0856(7) 0.2742(4) 0.6858(4) 0.169(6) Uani 1 1 d D U . . .
H4_7 H 1.0876 0.2712 0.6619 0.202 Uiso 1 1 calc R U . . .
C5_7 C 1.0797(6) 0.3088(3) 0.6985(4) 0.167(5) Uani 1 1 d D U . . .
C6_7 C 1.0763(6) 0.3141(3) 0.7334(4) 0.164(5) Uani 1 1 d D U . . .
H6_7 H 1.0719 0.3376 0.7419 0.197 Uiso 1 1 calc R U . . .
C7_7 C 1.0795(6) 0.2841(3) 0.7556(3) 0.167(5) Uani 1 1 d D U . . .
C8_7 C 1.0772(6) 0.2795(3) 0.7922(3) 0.172(5) Uani 1 1 d D U . . .
C9_7 C 1.0724(6) 0.3033(3) 0.8190(4) 0.172(6) Uani 1 1 d D U . . .
H9_7 H 1.0692 0.3285 0.8144 0.207 Uiso 1 1 calc R U . . .
C10_7 C 1.0725(6) 0.2899(4) 0.8524(4) 0.177(5) Uani 1 1 d D U . . .
C11_7 C 1.0779(7) 0.2529(4) 0.8593(4) 0.191(6) Uani 1 1 d D U . . .
H11_7 H 1.0786 0.2442 0.8824 0.229 Uiso 1 1 calc R U . . .
C12_7 C 1.0824(7) 0.2289(4) 0.8330(4) 0.190(6) Uani 1 1 d D U . . .
H12_7 H 1.0857 0.2038 0.8378 0.229 Uiso 1 1 calc R U . . .
C13_7 C 1.0820(6) 0.2422(3) 0.7996(3) 0.178(5) Uani 1 1 d D U . . .
C14_7 C 1.0911(6) 0.1863(3) 0.7658(4) 0.167(5) Uani 1 1 d D U . . .
C15_7 C 1.0520(6) 0.1648(3) 0.7743(5) 0.170(6) Uani 1 1 d D U . . .
H15_7 H 1.0233 0.1756 0.7819 0.204 Uiso 1 1 calc R U . . .
C16_7 C 1.0545(5) 0.1269(3) 0.7715(4) 0.174(5) Uani 1 1 d D U . . .
C17_7 C 1.0139(6) 0.1038(4) 0.7788(5) 0.184(6) Uani 1 1 d D U . . .
H17_7 H 0.9853 0.1138 0.7872 0.221 Uiso 1 1 calc R U . . .
C18_7 C 1.0161(6) 0.0682(4) 0.7738(5) 0.183(6) Uani 1 1 d D U . . .
H18_7 H 0.9884 0.0533 0.7783 0.219 Uiso 1 1 calc R U . . .
C19_7 C 1.0585(5) 0.0519(3) 0.7620(4) 0.178(5) Uani 1 1 d D U . . .
C20_7 C 1.0622(7) 0.0142(4) 0.7573(5) 0.178(6) Uani 1 1 d D U . . .
H20_7 H 1.0347 -0.0011 0.7614 0.214 Uiso 1 1 calc R U . . .
C21_7 C 1.1043(7) -0.0003(4) 0.7469(5) 0.182(6) Uani 1 1 d D U . . .
H21_7 H 1.1059 -0.0257 0.7443 0.219 Uiso 1 1 calc R U . . .
C22_7 C 1.1442(6) 0.0204(4) 0.7403(5) 0.178(6) Uani 1 1 d D U . . .
H22_7 H 1.1733 0.0093 0.7332 0.214 Uiso 1 1 calc R U . . .
C23_7 C 1.1431(5) 0.0583(3) 0.7438(4) 0.172(5) Uani 1 1 d D U . . .
C24_7 C 1.1825(6) 0.0812(4) 0.7360(5) 0.176(6) Uani 1 1 d D U . . .
H24_7 H 1.2119 0.0710 0.7287 0.211 Uiso 1 1 calc R U . . .
C25_7 C 1.1795(6) 0.1173(4) 0.7387(5) 0.177(6) Uani 1 1 d D U . . .
H25_7 H 1.2059 0.1319 0.7322 0.213 Uiso 1 1 calc R U . . .
C26_7 C 1.1376(5) 0.1339(3) 0.7509(4) 0.169(5) Uani 1 1 d D U . . .
C27_7 C 1.1328(6) 0.1714(3) 0.7546(4) 0.167(6) Uani 1 1 d D U . . .
H27_7 H 1.1592 0.1868 0.7491 0.200 Uiso 1 1 calc R U . . .
C28_7 C 1.0999(5) 0.0736(3) 0.7553(4) 0.168(5) Uani 1 1 d D U . . .
C29_7 C 1.0979(5) 0.1116(3) 0.7597(4) 0.171(5) Uani 1 1 d D U . . .
C30_7 C 1.0781(7) 0.3392(4) 0.6754(4) 0.168(6) Uani 1 1 d D U . . .
C31_7 C 1.0812(8) 0.3617(4) 0.6543(5) 0.184(6) Uani 1 1 d D U . . .
C32_7 C 1.0890(7) 0.3882(4) 0.6294(4) 0.197(6) Uani 1 1 d D U . . .
C33_7 C 1.0715(8) 0.3817(5) 0.5928(5) 0.230(7) Uani 1 1 d D U . . .
H33_7 H 1.0516 0.3604 0.5841 0.276 Uiso 1 1 calc R U . . .
C34_7 C 1.0834(9) 0.4065(6) 0.5691(4) 0.242(8) Uani 1 1 d D U . . .
H34_7 H 1.0715 0.4028 0.5441 0.291 Uiso 1 1 calc R U . . .
C35_7 C 1.1126(9) 0.4364(5) 0.5829(6) 0.231(7) Uani 1 1 d D U . . .
H35_7 H 1.1222 0.4527 0.5667 0.277 Uiso 1 1 calc R U . . .
N36_7 N 1.1284(7) 0.4440(4) 0.6174(6) 0.204(5) Uani 1 1 d D U . . .
C37_7 C 1.1161(7) 0.4203(4) 0.6401(5) 0.190(6) Uani 1 1 d D U . . .
H37_7 H 1.1266 0.4258 0.6648 0.228 Uiso 1 1 calc R U . . .
C38_7 C 1.0655(7) 0.3147(4) 0.8789(4) 0.182(6) Uani 1 1 d D U . . .
C39_7 C 1.0604(8) 0.3356(4) 0.9010(5) 0.185(6) Uani 1 1 d D U . . .
C40_7 C 1.0464(7) 0.3640(4) 0.9219(4) 0.188(6) Uani 1 1 d D U . . .
C41_7 C 1.0683(7) 0.3660(4) 0.9585(4) 0.198(7) Uani 1 1 d D U . . .
H41_7 H 1.0950 0.3493 0.9705 0.237 Uiso 1 1 calc R U . . .
C42_7 C 1.0505(8) 0.3931(5) 0.9772(4) 0.202(7) Uani 1 1 d D U . . .
H42_7 H 1.0646 0.3955 1.0023 0.242 Uiso 1 1 calc R U . . .
C43_7 C 1.0116(8) 0.4163(4) 0.9581(5) 0.189(7) Uani 1 1 d D U . . .
H43_7 H 0.9987 0.4344 0.9711 0.227 Uiso 1 1 calc R U . . .
N44_7 N 0.9905(6) 0.4156(4) 0.9229(5) 0.179(5) Uani 1 1 d D U . . .
C45_7 C 1.0085(7) 0.3897(4) 0.9053(4) 0.184(6) Uani 1 1 d D U . . .
H45_7 H 0.9948 0.3886 0.8802 0.220 Uiso 1 1 calc R U . . .
N1_8 N 1.3856(6) 0.4490(4) 0.9365(4) 0.282(7) Uani 1 1 d D U . . .
C2_8 C 1.3811(6) 0.4498(4) 0.8999(4) 0.249(7) Uani 1 1 d D U . . .
C3_8 C 1.4157(6) 0.4374(5) 0.8801(4) 0.236(7) Uani 1 1 d D U . . .
H3_8 H 1.4509 0.4289 0.8918 0.284 Uiso 1 1 calc R U . . .
C4_8 C 1.3983(7) 0.4378(5) 0.8432(4) 0.230(7) Uani 1 1 d D U . . .
H4_8 H 1.4217 0.4290 0.8298 0.276 Uiso 1 1 calc R U . . .
C5_8 C 1.3472(7) 0.4509(4) 0.8253(4) 0.217(6) Uani 1 1 d D U . . .
C6_8 C 1.3133(6) 0.4647(5) 0.8450(4) 0.217(7) Uani 1 1 d D U . . .
H6_8 H 1.2792 0.4747 0.8332 0.261 Uiso 1 1 calc R U . . .
C7_8 C 1.3296(6) 0.4637(4) 0.8821(4) 0.238(6) Uani 1 1 d D U . . .
C8_8 C 1.3019(6) 0.4716(5) 0.9093(4) 0.260(7) Uani 1 1 d D U . . .
C9_8 C 1.2507(6) 0.4852(6) 0.9082(5) 0.259(8) Uani 1 1 d D U . . .
H9_8 H 1.2259 0.4913 0.8861 0.311 Uiso 1 1 calc R U . . .
C10_8 C 1.2367(6) 0.4897(5) 0.9402(5) 0.271(8) Uani 1 1 d D U . . .
C11_8 C 1.2724(8) 0.4811(7) 0.9729(5) 0.286(9) Uani 1 1 d D U . . .
H11_8 H 1.2619 0.4847 0.9943 0.343 Uiso 1 1 calc R U . . .
C12_8 C 1.3232(7) 0.4671(6) 0.9742(4) 0.291(8) Uani 1 1 d D U . . .
H12_8 H 1.3476 0.4610 0.9964 0.350 Uiso 1 1 calc R U . . .
C13_8 C 1.3376(6) 0.4624(5) 0.9424(4) 0.282(7) Uani 1 1 d D U . . .
C14_8 C 1.4295(7) 0.4379(6) 0.9655(4) 0.320(8) Uani 1 1 d D U . . .
C15_8 C 1.4237(8) 0.4120(7) 0.9904(6) 0.338(10) Uani 1 1 d D U . . .
H15_8 H 1.3899 0.4001 0.9875 0.406 Uiso 1 1 calc R U . . .
C16_8 C 1.4677(8) 0.4033(5) 1.0200(5) 0.356(9) Uani 1 1 d D U . . .
C17_8 C 1.4640(10) 0.3763(6) 1.0451(6) 0.376(11) Uani 1 1 d D U . . .
H17_8 H 1.4311 0.3634 1.0423 0.451 Uiso 1 1 calc R U . . .
C18_8 C 1.5070(10) 0.3688(6) 1.0733(6) 0.382(11) Uani 1 1 d D U . . .
H18_8 H 1.5031 0.3511 1.0902 0.458 Uiso 1 1 calc R U . . .
C19_8 C 1.5576(9) 0.3867(6) 1.0781(5) 0.373(10) Uani 1 1 d D U . . .
C20_8 C 1.6032(11) 0.3802(7) 1.1070(6) 0.377(11) Uani 1 1 d D U . . .
H20_8 H 1.5997 0.3642 1.1254 0.453 Uiso 1 1 calc R U . . .
C21_8 C 1.6520(10) 0.3960(8) 1.1093(6) 0.381(11) Uani 1 1 d D U . . .
H21_8 H 1.6818 0.3903 1.1288 0.457 Uiso 1 1 calc R U . . .
C22_8 C 1.6590(9) 0.4197(8) 1.0842(7) 0.376(11) Uani 1 1 d D U . . .
H22_8 H 1.6937 0.4300 1.0860 0.451 Uiso 1 1 calc R U . . .
C23_8 C 1.6144(8) 0.4289(6) 1.0554(6) 0.361(10) Uani 1 1 d D U . . .
C24_8 C 1.6190(9) 0.4552(7) 1.0299(7) 0.356(10) Uani 1 1 d D U . . .
H24_8 H 1.6528 0.4665 1.0314 0.427 Uiso 1 1 calc R U . . .
C25_8 C 1.5748(9) 0.4643(6) 1.0031(6) 0.341(10) Uani 1 1 d D U . . .
H25_8 H 1.5782 0.4824 0.9866 0.409 Uiso 1 1 calc R U . . .
C26_8 C 1.5242(8) 0.4476(5) 0.9994(5) 0.332(9) Uani 1 1 d D U . . .
C27_8 C 1.4793(8) 0.4552(6) 0.9703(6) 0.324(9) Uani 1 1 d D U . . .
H27_8 H 1.4832 0.4728 0.9534 0.388 Uiso 1 1 calc R U . . .
C28_8 C 1.5636(8) 0.4124(5) 1.0526(5) 0.360(9) Uani 1 1 d D U . . .
C29_8 C 1.5181(7) 0.4212(5) 1.0243(5) 0.347(9) Uani 1 1 d D U . . .
C30_8 C 1.3282(9) 0.4484(5) 0.7871(4) 0.210(7) Uani 1 1 d D U . . .
C31_8 C 1.3097(8) 0.4450(5) 0.7554(4) 0.192(6) Uani 1 1 d D U . . .
C32_8 C 1.2904(6) 0.4394(4) 0.7176(4) 0.180(6) Uani 1 1 d D U . . .
C33_8 C 1.3113(6) 0.4124(4) 0.6997(5) 0.181(6) Uani 1 1 d D U . . .
H33_8 H 1.3384 0.3964 0.7127 0.217 Uiso 1 1 calc R U . . .
C34_8 C 1.2922(7) 0.4091(4) 0.6629(5) 0.186(6) Uani 1 1 d D U . . .
H34_8 H 1.3067 0.3912 0.6505 0.223 Uiso 1 1 calc R U . . .
C35_8 C 1.2523(7) 0.4317(5) 0.6448(4) 0.191(6) Uani 1 1 d D U . . .
H35_8 H 1.2394 0.4292 0.6197 0.229 Uiso 1 1 calc R U . . .
N36_8 N 1.2306(6) 0.4573(4) 0.6611(5) 0.189(5) Uani 1 1 d D U . . .
C37_8 C 1.2500(6) 0.4608(4) 0.6963(5) 0.184(6) Uani 1 1 d D U . . .
H37_8 H 1.2351 0.4793 0.7077 0.221 Uiso 1 1 calc R U . . .
C38_8 C 1.1834(6) 0.5028(6) 0.9389(7) 0.264(8) Uani 1 1 d D U . . .
C39_8 C 1.1399(6) 0.5131(6) 0.9408(6) 0.245(8) Uani 1 1 d D U . . .
C40_8 C 1.0839(6) 0.5165(5) 0.9400(5) 0.220(7) Uani 1 1 d D U . . .
C41_8 C 1.0660(7) 0.5438(5) 0.9587(5) 0.224(7) Uani 1 1 d D U . . .
H41_8 H 1.0901 0.5621 0.9705 0.269 Uiso 1 1 calc R U . . .
C42_8 C 1.0122(8) 0.5438(5) 0.9596(5) 0.215(7) Uani 1 1 d D U . . .
H42_8 H 0.9989 0.5619 0.9723 0.258 Uiso 1 1 calc R U . . .
C43_8 C 0.9784(7) 0.5172(5) 0.9421(5) 0.205(7) Uani 1 1 d D U . . .
H43_8 H 0.9417 0.5175 0.9430 0.246 Uiso 1 1 calc R U . . .
N44_8 N 0.9946(7) 0.4909(4) 0.9236(4) 0.182(5) Uani 1 1 d D U . . .
C45_8 C 1.0458(7) 0.4911(4) 0.9226(5) 0.197(6) Uani 1 1 d D U . . .
H45_8 H 1.0575 0.4729 0.9092 0.236 Uiso 1 1 calc R U . . .
N1_9 N 0.7145(5) 0.4642(4) 0.5993(3) 0.247(6) Uani 1 1 d D U . . .
C2_9 C 0.7600(5) 0.4778(5) 0.5909(4) 0.229(6) Uani 1 1 d D U . . .
C3_9 C 0.7660(6) 0.4926(6) 0.5594(4) 0.246(8) Uani 1 1 d D U . . .
H3_9 H 0.7360 0.4945 0.5391 0.295 Uiso 1 1 calc R U . . .
C4_9 C 0.8165(7) 0.5046(6) 0.5583(5) 0.249(8) Uani 1 1 d D U . . .
H4_9 H 0.8211 0.5148 0.5369 0.299 Uiso 1 1 calc R U . . .
C5_9 C 0.8610(6) 0.5020(5) 0.5878(5) 0.231(7) Uani 1 1 d D U . . .
C6_9 C 0.8549(5) 0.4877(5) 0.6197(4) 0.207(7) Uani 1 1 d D U . . .
H6_9 H 0.8848 0.4866 0.6402 0.249 Uiso 1 1 calc R U . . .
C7_9 C 0.8045(5) 0.4750(4) 0.6212(4) 0.200(6) Uani 1 1 d D U . . .
C8_9 C 0.7848(5) 0.4586(4) 0.6492(3) 0.184(6) Uani 1 1 d D U . . .
C9_9 C 0.8085(6) 0.4488(4) 0.6844(3) 0.168(6) Uani 1 1 d D U . . .
H9_9 H 0.8458 0.4534 0.6949 0.202 Uiso 1 1 calc R U . . .
C10_9 C 0.7769(6) 0.4322(4) 0.7040(3) 0.170(6) Uani 1 1 d D U . . .
C11_9 C 0.7224(6) 0.4256(4) 0.6891(4) 0.179(6) Uani 1 1 d D U . . .
H11_9 H 0.7016 0.4142 0.7030 0.215 Uiso 1 1 calc R U . . .
C12_9 C 0.6979(6) 0.4353(4) 0.6543(4) 0.189(6) Uani 1 1 d D U . . .
H12_9 H 0.6605 0.4307 0.6441 0.227 Uiso 1 1 calc R U . . .
C13_9 C 0.7291(5) 0.4519(4) 0.6346(3) 0.202(6) Uani 1 1 d D U . . .
C14_9 C 0.6599(6) 0.4641(6) 0.5778(5) 0.302(8) Uani 1 1 d D U . . .
C15_9 C 0.6197(7) 0.4819(6) 0.5891(6) 0.319(9) Uani 1 1 d D U . . .
H15_9 H 0.6296 0.4957 0.6105 0.383 Uiso 1 1 calc R U . . .
C16_9 C 0.5648(7) 0.4804(5) 0.5701(5) 0.349(9) Uani 1 1 d D U . . .
C17_9 C 0.5228(9) 0.4970(7) 0.5818(6) 0.365(10) Uani 1 1 d D U . . .
H17_9 H 0.5317 0.5111 0.6030 0.438 Uiso 1 1 calc R U . . .
C18_9 C 0.4698(9) 0.4933(7) 0.5634(7) 0.375(11) Uani 1 1 d D U . . .
H18_9 H 0.4425 0.5048 0.5720 0.450 Uiso 1 1 calc R U . . .
C19_9 C 0.4548(7) 0.4725(6) 0.5318(6) 0.372(10) Uani 1 1 d D U . . .
C20_9 C 0.4007(8) 0.4676(8) 0.5118(8) 0.393(11) Uani 1 1 d D U . . .
H20_9 H 0.3722 0.4779 0.5200 0.472 Uiso 1 1 calc R U . . .
C21_9 C 0.3885(8) 0.4480(8) 0.4809(7) 0.405(12) Uani 1 1 d D U . . .
H21_9 H 0.3517 0.4455 0.4679 0.486 Uiso 1 1 calc R U . . .
C22_9 C 0.4280(9) 0.4321(8) 0.4683(6) 0.399(12) Uani 1 1 d D U . . .
H22_9 H 0.4186 0.4189 0.4466 0.479 Uiso 1 1 calc R U . . .
C23_9 C 0.4832(8) 0.4354(6) 0.4877(5) 0.383(10) Uani 1 1 d D U . . .
C24_9 C 0.5254(10) 0.4184(7) 0.4763(6) 0.383(11) Uani 1 1 d D U . . .
H24_9 H 0.5167 0.4047 0.4549 0.460 Uiso 1 1 calc R U . . .
C25_9 C 0.5780(9) 0.4213(7) 0.4950(6) 0.378(11) Uani 1 1 d D U . . .
H25_9 H 0.6053 0.4093 0.4869 0.454 Uiso 1 1 calc R U . . .
C26_9 C 0.5925(7) 0.4420(5) 0.5267(5) 0.352(9) Uani 1 1 d D U . . .
C27_9 C 0.6472(7) 0.4444(6) 0.5469(6) 0.324(9) Uani 1 1 d D U . . .
H27_9 H 0.6749 0.4325 0.5390 0.388 Uiso 1 1 calc R U . . .
C28_9 C 0.4959(7) 0.4560(5) 0.5192(5) 0.368(10) Uani 1 1 d D U . . .
C29_9 C 0.5515(7) 0.4597(5) 0.5385(5) 0.351(9) Uani 1 1 d D U . . .
C30_9 C 0.9138(6) 0.5136(6) 0.5853(6) 0.237(8) Uani 1 1 d D U . . .
C31_9 C 0.9595(6) 0.5209(6) 0.5854(7) 0.245(8) Uani 1 1 d D U . . .
C32_9 C 1.0136(5) 0.5299(5) 0.5842(5) 0.247(7) Uani 1 1 d D U . . .
C33_9 C 1.0237(7) 0.5547(5) 0.5598(6) 0.263(8) Uani 1 1 d D U . . .
H33_9 H 0.9945 0.5672 0.5443 0.316 Uiso 1 1 calc R U . . .
C34_9 C 1.0762(8) 0.5611(6) 0.5580(6) 0.265(8) Uani 1 1 d D U . . .
H34_9 H 1.0835 0.5776 0.5412 0.318 Uiso 1 1 calc R U . . .
C35_9 C 1.1179(7) 0.5429(6) 0.5814(6) 0.249(8) Uani 1 1 d D U . . .
H35_9 H 1.1541 0.5476 0.5806 0.299 Uiso 1 1 calc R U . . .
N36_9 N 1.1096(6) 0.5192(5) 0.6050(5) 0.221(6) Uani 1 1 d D U . . .
C37_9 C 1.0590(7) 0.5130(5) 0.6065(5) 0.225(7) Uani 1 1 d D U . . .
H37_9 H 1.0532 0.4962 0.6236 0.270 Uiso 1 1 calc R U . . .
C38_9 C 0.8004(7) 0.4229(4) 0.7407(3) 0.164(6) Uani 1 1 d D U . . .
C39_9 C 0.8150(8) 0.4153(4) 0.7715(3) 0.165(6) Uani 1 1 d D U . . .
C40_9 C 0.8316(6) 0.4087(4) 0.8090(3) 0.170(6) Uani 1 1 d D U . . .
C41_9 C 0.8036(6) 0.3839(4) 0.8243(4) 0.174(6) Uani 1 1 d D U . . .
H41_9 H 0.7743 0.3706 0.8098 0.209 Uiso 1 1 calc R U . . .
C42_9 C 0.8188(8) 0.3787(5) 0.8607(5) 0.187(7) Uani 1 1 d D U . . .
H42_9 H 0.8002 0.3618 0.8716 0.224 Uiso 1 1 calc R U . . .
C43_9 C 0.8616(8) 0.3986(5) 0.8810(4) 0.191(7) Uani 1 1 d D U . . .
H43_9 H 0.8718 0.3952 0.9061 0.229 Uiso 1 1 calc R U . . .
N44_9 N 0.8888(6) 0.4223(4) 0.8670(4) 0.184(5) Uani 1 1 d D U . . .
C45_9 C 0.8746(6) 0.4270(4) 0.8316(4) 0.175(6) Uani 1 1 d D U . . .
H45_9 H 0.8947 0.4435 0.8214 0.210 Uiso 1 1 calc R U . . .
N1_10 N 1.0885(5) 0.7211(3) 0.8018(3) 0.180(5) Uani 1 1 d D U . . .
C2_10 C 1.1169(5) 0.7039(3) 0.7805(4) 0.182(5) Uani 1 1 d D U . . .
C3_10 C 1.1528(6) 0.7176(4) 0.7626(4) 0.190(6) Uani 1 1 d D U . . .
H3_10 H 1.1613 0.7426 0.7637 0.227 Uiso 1 1 calc R U . . .
C4_10 C 1.1762(7) 0.6943(4) 0.7431(5) 0.191(6) Uani 1 1 d D U . . .
H4_10 H 1.2009 0.7033 0.7307 0.229 Uiso 1 1 calc R U . . .
C5_10 C 1.1637(6) 0.6576(4) 0.7416(4) 0.188(6) Uani 1 1 d D U . . .
C6_10 C 1.1273(6) 0.6437(3) 0.7591(4) 0.183(6) Uani 1 1 d D U . . .
H6_10 H 1.1189 0.6188 0.7577 0.219 Uiso 1 1 calc R U . . .
C7_10 C 1.1034(5) 0.6668(3) 0.7788(4) 0.179(5) Uani 1 1 d D U . . .
C8_10 C 1.0649(5) 0.6618(3) 0.7999(4) 0.173(5) Uani 1 1 d D U . . .
C9_10 C 1.0354(6) 0.6327(3) 0.8074(4) 0.177(6) Uani 1 1 d D U . . .
H9_10 H 1.0406 0.6093 0.7988 0.212 Uiso 1 1 calc R U . . .
C10_10 C 0.9984(6) 0.6378(3) 0.8275(4) 0.180(5) Uani 1 1 d D U . . .
C11_10 C 0.9921(6) 0.6717(4) 0.8415(5) 0.183(6) Uani 1 1 d D U . . .
H11_10 H 0.9676 0.6747 0.8559 0.220 Uiso 1 1 calc R U . . .
C12_10 C 1.0210(6) 0.7009(4) 0.8346(4) 0.183(6) Uani 1 1 d D U . . .
H12_10 H 1.0165 0.7240 0.8440 0.220 Uiso 1 1 calc R U . . .
C13_10 C 1.0569(5) 0.6958(3) 0.8136(4) 0.179(5) Uani 1 1 d D U . . .
C14_10 C 1.0848(6) 0.7587(3) 0.8072(5) 0.173(5) Uani 1 1 d D U . . .
C15_10 C 1.0929(7) 0.7726(3) 0.8409(5) 0.181(6) Uani 1 1 d D U . . .
H15_10 H 1.1056 0.7573 0.8610 0.217 Uiso 1 1 calc R U . . .
C16_10 C 1.0825(5) 0.8093(3) 0.8461(4) 0.178(5) Uani 1 1 d D U . . .
C17_10 C 1.0870(7) 0.8244(4) 0.8801(4) 0.188(6) Uani 1 1 d D U . . .
H17_10 H 1.0992 0.8097 0.9006 0.226 Uiso 1 1 calc R U . . .
C18_10 C 1.0745(7) 0.8592(4) 0.8843(4) 0.194(6) Uani 1 1 d D U . . .
H18_10 H 1.0782 0.8685 0.9076 0.233 Uiso 1 1 calc R U . . .
C19_10 C 1.0557(6) 0.8820(4) 0.8542(4) 0.188(6) Uani 1 1 d D U . . .
C20_10 C 1.0413(7) 0.9185(4) 0.8568(5) 0.196(7) Uani 1 1 d D U . . .
H20_10 H 1.0442 0.9287 0.8796 0.236 Uiso 1 1 calc R U . . .
C21_10 C 1.0234(7) 0.9390(4) 0.8273(5) 0.191(7) Uani 1 1 d D U . . .
H21_10 H 1.0130 0.9632 0.8300 0.229 Uiso 1 1 calc R U . . .
C22_10 C 1.0198(7) 0.9263(4) 0.7941(5) 0.186(6) Uani 1 1 d D U . . .
H22_10 H 1.0080 0.9418 0.7741 0.224 Uiso 1 1 calc R U . . .
C23_10 C 1.0334(5) 0.8900(3) 0.7890(4) 0.177(5) Uani 1 1 d D U . . .
C24_10 C 1.0305(6) 0.8755(4) 0.7547(4) 0.176(6) Uani 1 1 d D U . . .
H24_10 H 1.0205 0.8906 0.7343 0.211 Uiso 1 1 calc R U . . .
C25_10 C 1.0419(6) 0.8403(4) 0.7510(4) 0.175(6) Uani 1 1 d D U . . .
H25_10 H 1.0390 0.8309 0.7279 0.210 Uiso 1 1 calc R U . . .
C26_10 C 1.0582(5) 0.8173(3) 0.7811(4) 0.177(5) Uani 1 1 d D U . . .
C27_10 C 1.0685(7) 0.7802(3) 0.7774(5) 0.181(6) Uani 1 1 d D U . . .
H27_10 H 1.0641 0.7701 0.7544 0.217 Uiso 1 1 calc R U . . .
C28_10 C 1.0512(5) 0.8678(3) 0.8196(4) 0.179(5) Uani 1 1 d D U . . .
C29_10 C 1.0645(5) 0.8312(3) 0.8157(4) 0.170(5) Uani 1 1 d D U . . .
C30_10 C 1.1877(7) 0.6341(5) 0.7209(5) 0.193(6) Uani 1 1 d D U . . .
C31_10 C 1.2044(8) 0.6135(5) 0.7029(5) 0.197(6) Uani 1 1 d D U . . .
C32_10 C 1.2240(7) 0.5886(4) 0.6812(4) 0.194(6) Uani 1 1 d D U . . .
C33_10 C 1.2690(7) 0.5973(4) 0.6687(5) 0.206(7) Uani 1 1 d D U . . .
H33_10 H 1.2872 0.6196 0.6749 0.247 Uiso 1 1 calc R U . . .
C34_10 C 1.2868(7) 0.5730(5) 0.6472(5) 0.210(7) Uani 1 1 d D U . . .
H34_10 H 1.3168 0.5784 0.6380 0.252 Uiso 1 1 calc R U . . .
C35_10 C 1.2591(8) 0.5405(5) 0.6394(5) 0.204(6) Uani 1 1 d D U . . .
H35_10 H 1.2713 0.5236 0.6248 0.245 Uiso 1 1 calc R U . . .
N36_10 N 1.2166(7) 0.5319(3) 0.6511(5) 0.193(5) Uani 1 1 d D U . . .
C37_10 C 1.1994(6) 0.5555(4) 0.6717(5) 0.189(6) Uani 1 1 d D U . . .
H37_10 H 1.1689 0.5494 0.6801 0.227 Uiso 1 1 calc R U . . .
C38_10 C 0.9646(7) 0.6085(4) 0.8327(5) 0.179(6) Uani 1 1 d D U . . .
C39_10 C 0.9327(7) 0.5880(4) 0.8396(5) 0.181(6) Uani 1 1 d D U . . .
C40_10 C 0.9033(6) 0.5591(4) 0.8504(4) 0.178(6) Uani 1 1 d D U . . .
C41_10 C 0.8499(6) 0.5640(4) 0.8518(5) 0.188(6) Uani 1 1 d D U . . .
H41_10 H 0.8320 0.5863 0.8446 0.226 Uiso 1 1 calc R U . . .
C42_10 C 0.8231(6) 0.5362(5) 0.8638(5) 0.191(6) Uani 1 1 d D U . . .
H42_10 H 0.7868 0.5388 0.8654 0.229 Uiso 1 1 calc R U . . .
C43_10 C 0.8511(7) 0.5047(4) 0.8734(5) 0.186(6) Uani 1 1 d D U . . .
H43_10 H 0.8327 0.4856 0.8816 0.223 Uiso 1 1 calc R U . . .
N44_10 N 0.9021(7) 0.4986(3) 0.8723(4) 0.179(5) Uani 1 1 d D U . . .
C45_10 C 0.9276(6) 0.5257(4) 0.8607(5) 0.179(6) Uani 1 1 d D U . . .
H45_10 H 0.9639 0.5221 0.8594 0.214 Uiso 1 1 calc R U . . .
B1_11 B 0.7150(12) 0.2754(9) 0.5608(8) 0.352(9) Uani 1 1 d D U . . .
F2_11 F 0.6883(12) 0.2928(8) 0.5298(7) 0.435(11) Uani 1 1 d D U . . .
F3_11 F 0.7238(12) 0.2420(7) 0.5460(7) 0.425(11) Uani 1 1 d D U . . .
F4_11 F 0.6839(8) 0.2753(5) 0.5863(6) 0.302(6) Uani 1 1 d D U . . .
F5_11 F 0.7667(10) 0.2885(8) 0.5654(8) 0.416(11) Uani 1 1 d D U . . .
B1_12 B 1.0247(13) 0.4408(8) 0.8303(7) 0.360(10) Uani 1 1 d D U . . .
F2_12 F 1.0435(10) 0.4470(5) 0.8008(5) 0.327(9) Uani 1 1 d D U . . .
F3_12 F 0.9979(10) 0.4086(6) 0.8260(5) 0.350(9) Uani 1 1 d D U . . .
F4_12 F 1.0636(11) 0.4409(6) 0.8620(6) 0.366(10) Uani 1 1 d D U . . .
F5_12 F 0.9940(12) 0.4688(7) 0.8367(7) 0.410(11) Uani 1 1 d D U . . .
B1_13 B 0.8486(12) 0.4408(8) 0.9573(8) 0.340(10) Uani 1 1 d D U . . .
F2_13 F 0.8790(8) 0.4095(5) 0.9674(5) 0.310(8) Uani 1 1 d D U . . .
F3_13 F 0.8187(9) 0.4441(6) 0.9822(6) 0.336(9) Uani 1 1 d D U . . .
F4_13 F 0.8137(10) 0.4412(6) 0.9241(6) 0.357(9) Uani 1 1 d D U . . .
F5_13 F 0.8823(11) 0.4712(6) 0.9576(7) 0.382(10) Uani 1 1 d D U . . .
B1_14 B 0.3630(12) 0.2908(9) 0.9781(8) 0.380(11) Uani 1 1 d D U . . .
F2_14 F 0.3284(10) 0.2963(6) 0.9984(6) 0.340(9) Uani 1 1 d D U . . .
F3_14 F 0.3390(10) 0.3003(7) 0.9438(6) 0.372(10) Uani 1 1 d D U . . .
F4_14 F 0.4141(10) 0.3042(8) 0.9889(8) 0.423(12) Uani 1 1 d D U . . .
F5_14 F 0.3739(12) 0.2548(7) 0.9749(7) 0.419(11) Uani 1 1 d D U . . .
B1_15 B 1.1068(10) 0.5066(7) 0.7144(7) 0.291(9) Uani 1 1 d D U . . .
F2_15 F 1.0903(7) 0.5368(5) 0.6951(6) 0.304(8) Uani 1 1 d D U . . .
F3_15 F 1.0731(6) 0.4967(3) 0.7348(5) 0.231(6) Uani 1 1 d D U . . .
F4_15 F 1.1601(7) 0.5081(5) 0.7332(6) 0.324(8) Uani 1 1 d D U . . .
F5_15 F 1.1058(9) 0.4802(5) 0.6895(6) 0.331(8) Uani 1 1 d D U . . .
B1_16 B 0.5225(12) 0.3167(8) 0.8325(7) 0.331(9) Uani 1 1 d D U . . .
F2_16 F 0.4956(9) 0.2877(6) 0.8422(6) 0.340(9) Uani 1 1 d D U . . .
F3_16 F 0.4913(8) 0.3476(6) 0.8290(5) 0.315(8) Uani 1 1 d D U . . .
F4_16 F 0.5697(10) 0.3197(7) 0.8604(6) 0.364(10) Uani 1 1 d D U . . .
F5_16 F 0.5381(9) 0.3106(5) 0.8011(5) 0.311(8) Uani 1 1 d D U . . .
B1_17 B 0.6047(11) 0.2507(7) 0.7036(7) 0.260(8) Uani 1 1 d D U . . .
F2_17 F 0.5904(7) 0.2198(4) 0.6844(5) 0.270(7) Uani 1 1 d D U . . .
F3_17 F 0.6035(8) 0.2783(5) 0.6811(5) 0.284(7) Uani 1 1 d D U . . .
F4_17 F 0.6607(7) 0.2506(5) 0.7216(6) 0.296(7) Uani 1 1 d D U . . .
F5_17 F 0.5769(6) 0.2595(3) 0.7281(4) 0.223(5) Uani 1 1 d D U . . .


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_1 N36_4 1.952(16) . ?
Pd1_1 N36_3 1.955(14) . ?
Pd1_1 N36_2 2.009(15) . ?
Pd1_1 N36_5 2.024(16) . ?
Pd2_1 F4_11 1.76(2) . ?
Pd2_1 N44_5 1.974(13) . ?
Pd2_1 N44_2 1.989(13) . ?
Pd2_1 N44_3 1.990(14) . ?
Pd2_1 N44_4 2.004(13) . ?
N1_2 C13_2 1.392(9) . ?
N1_2 C2_2 1.396(9) . ?
N1_2 C14_2 1.423(11) . ?
C2_2 C3_2 1.385(8) . ?
C2_2 C7_2 1.413(8) . ?
C3_2 C4_2 1.382(9) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.393(10) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.393(8) . ?
C5_2 C30_2 1.434(9) . ?
C6_2 C7_2 1.390(8) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.438(11) . ?
C8_2 C9_2 1.391(8) . ?
C8_2 C13_2 1.417(8) . ?
C9_2 C10_2 1.397(8) . ?
C9_2 H9_2 0.9500 . ?
C10_2 C11_2 1.399(10) . ?
C10_2 C38_2 1.441(9) . ?
C11_2 C12_2 1.383(9) . ?
C11_2 H11_2 0.9500 . ?
C12_2 C13_2 1.388(8) . ?
C12_2 H12_2 0.9500 . ?
C14_2 C27_2 1.377(14) . ?
C14_2 C15_2 1.381(14) . ?
C15_2 C16_2 1.411(11) . ?
C15_2 H15_2 0.9500 . ?
C16_2 C29_2 1.416(10) . ?
C16_2 C17_2 1.427(11) . ?
C17_2 C18_2 1.353(13) . ?
C17_2 H17_2 0.9500 . ?
C18_2 C19_2 1.410(11) . ?
C18_2 H18_2 0.9500 . ?
C19_2 C28_2 1.405(10) . ?
C19_2 C20_2 1.420(11) . ?
C20_2 C21_2 1.359(11) . ?
C20_2 H20_2 0.9500 . ?
C21_2 C22_2 1.362(11) . ?
C21_2 H21_2 0.9500 . ?
C22_2 C23_2 1.421(11) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.413(11) . ?
C23_2 C28_2 1.423(10) . ?
C24_2 C25_2 1.360(13) . ?
C24_2 H24_2 0.9500 . ?
C25_2 C26_2 1.410(11) . ?
C25_2 H25_2 0.9500 . ?
C26_2 C29_2 1.412(10) . ?
C26_2 C27_2 1.416(11) . ?
C27_2 H27_2 0.9500 . ?
C28_2 C29_2 1.424(12) . ?
C30_2 C31_2 1.197(9) . ?
C31_2 C32_2 1.429(9) . ?
C32_2 C33_2 1.392(10) . ?
C32_2 C37_2 1.398(9) . ?
C33_2 C34_2 1.387(9) . ?
C33_2 H33_2 0.9500 . ?
C34_2 C35_2 1.377(13) . ?
C34_2 H34_2 0.9500 . ?
C35_2 N36_2 1.329(11) . ?
C35_2 H35_2 0.9500 . ?
N36_2 C37_2 1.335(9) . ?
C37_2 H37_2 0.9500 . ?
C38_2 C39_2 1.199(9) . ?
C39_2 C40_2 1.439(9) . ?
C40_2 C41_2 1.387(10) . ?
C40_2 C45_2 1.402(9) . ?
C41_2 C42_2 1.387(9) . ?
C41_2 H41_2 0.9500 . ?
C42_2 C43_2 1.381(13) . ?
C42_2 H42_2 0.9500 . ?
C43_2 N44_2 1.345(11) . ?
C43_2 H43_2 0.9500 . ?
N44_2 C45_2 1.336(9) . ?
C45_2 H45_2 0.9500 . ?
N1_3 C13_3 1.390(9) . ?
N1_3 C2_3 1.391(9) . ?
N1_3 C14_3 1.423(11) . ?
C2_3 C3_3 1.384(8) . ?
C2_3 C7_3 1.414(8) . ?
C3_3 C4_3 1.374(9) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.392(10) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.392(8) . ?
C5_3 C30_3 1.441(9) . ?
C6_3 C7_3 1.396(8) . ?
C6_3 H6_3 0.9500 . ?
C7_3 C8_3 1.447(11) . ?
C8_3 C9_3 1.395(8) . ?
C8_3 C13_3 1.415(8) . ?
C9_3 C10_3 1.394(8) . ?
C9_3 H9_3 0.9500 . ?
C10_3 C11_3 1.399(10) . ?
C10_3 C38_3 1.430(9) . ?
C11_3 C12_3 1.389(9) . ?
C11_3 H11_3 0.9500 . ?
C12_3 C13_3 1.393(8) . ?
C12_3 H12_3 0.9500 . ?
C14_3 C15_3 1.372(14) . ?
C14_3 C27_3 1.376(14) . ?
C15_3 C16_3 1.415(11) . ?
C15_3 H15_3 0.9500 . ?
C16_3 C17_3 1.410(11) . ?
C16_3 C29_3 1.413(11) . ?
C17_3 C18_3 1.349(13) . ?
C17_3 H17_3 0.9500 . ?
C18_3 C19_3 1.417(11) . ?
C18_3 H18_3 0.9500 . ?
C19_3 C28_3 1.412(11) . ?
C19_3 C20_3 1.420(11) . ?
C20_3 C21_3 1.359(11) . ?
C20_3 H20_3 0.9500 . ?
C21_3 C22_3 1.362(11) . ?
C21_3 H21_3 0.9500 . ?
C22_3 C23_3 1.421(11) . ?
C22_3 H22_3 0.9500 . ?
C23_3 C28_3 1.412(11) . ?
C23_3 C24_3 1.414(11) . ?
C24_3 C25_3 1.357(13) . ?
C24_3 H24_3 0.9500 . ?
C25_3 C26_3 1.424(11) . ?
C25_3 H25_3 0.9500 . ?
C26_3 C27_3 1.409(11) . ?
C26_3 C29_3 1.418(11) . ?
C27_3 H27_3 0.9500 . ?
C28_3 C29_3 1.424(12) . ?
C30_3 C31_3 1.201(9) . ?
C31_3 C32_3 1.439(9) . ?
C32_3 C37_3 1.394(9) . ?
C32_3 C33_3 1.404(10) . ?
C33_3 C34_3 1.382(9) . ?
C33_3 H33_3 0.9500 . ?
C34_3 C35_3 1.385(13) . ?
C34_3 H34_3 0.9500 . ?
C35_3 N36_3 1.329(11) . ?
C35_3 H35_3 0.9500 . ?
N36_3 C37_3 1.346(9) . ?
C37_3 H37_3 0.9500 . ?
C38_3 C39_3 1.197(9) . ?
C39_3 C40_3 1.429(9) . ?
C40_3 C41_3 1.392(10) . ?
C40_3 C45_3 1.394(9) . ?
C41_3 C42_3 1.386(9) . ?
C41_3 H41_3 0.9500 . ?
C42_3 C43_3 1.375(13) . ?
C42_3 H42_3 0.9500 . ?
C43_3 N44_3 1.333(11) . ?
C43_3 H43_3 0.9500 . ?
N44_3 C45_3 1.343(9) . ?
C45_3 H45_3 0.9500 . ?
N1_4 C13_4 1.397(9) . ?
N1_4 C2_4 1.398(9) . ?
N1_4 C14_4 1.420(11) . ?
C2_4 C3_4 1.391(8) . ?
C2_4 C7_4 1.408(8) . ?
C3_4 C4_4 1.383(9) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.403(10) . ?
C4_4 H4A_4 0.9500 . ?
C5_4 C6_4 1.394(8) . ?
C5_4 C30_4 1.432(9) . ?
C6_4 C7_4 1.390(8) . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.452(11) . ?
C8_4 C9_4 1.393(8) . ?
C8_4 C13_4 1.409(8) . ?
C9_4 C10_4 1.395(8) . ?
C9_4 H9_4 0.9500 . ?
C10_4 C11_4 1.389(10) . ?
C10_4 C38_4 1.433(9) . ?
C11_4 C12_4 1.384(9) . ?
C11_4 H11_4 0.9500 . ?
C12_4 C13_4 1.388(8) . ?
C12_4 H12_4 0.9500 . ?
C14_4 C15_4 1.373(13) . ?
C14_4 C27_4 1.393(13) . ?
C15_4 C16_4 1.407(10) . ?
C15_4 H15_4 0.9500 . ?
C16_4 C29_4 1.409(10) . ?
C16_4 C17_4 1.410(11) . ?
C17_4 C18_4 1.372(13) . ?
C17_4 H17_4 0.9500 . ?
C18_4 C19_4 1.414(11) . ?
C18_4 H18_4 0.9500 . ?
C19_4 C20_4 1.418(11) . ?
C19_4 C28_4 1.418(10) . ?
C20_4 C21_4 1.360(11) . ?
C20_4 H20A_4 0.9500 . ?
C21_4 C22_4 1.370(11) . ?
C21_4 H21_4 0.9500 . ?
C22_4 C23_4 1.421(11) . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.410(11) . ?
C23_4 C28_4 1.412(10) . ?
C24_4 C25_4 1.364(13) . ?
C24_4 H24_4 0.9500 . ?
C25_4 C26_4 1.410(11) . ?
C25_4 H25_4 0.9500 . ?
C26_4 C27_4 1.400(10) . ?
C26_4 C29_4 1.413(10) . ?
C27_4 H27_4 0.9500 . ?
C28_4 C29_4 1.422(12) . ?
C30_4 C31_4 1.200(9) . ?
C31_4 C32_4 1.437(9) . ?
C32_4 C37_4 1.393(10) . ?
C32_4 C33_4 1.398(10) . ?
C33_4 C34_4 1.386(9) . ?
C33_4 H33_4 0.9500 . ?
C34_4 C35_4 1.387(14) . ?
C34_4 H34_4 0.9500 . ?
C35_4 N36_4 1.328(11) . ?
C35_4 H35_4 0.9500 . ?
N36_4 C37_4 1.329(10) . ?
C37_4 H37_4 0.9500 . ?
C38_4 C39_4 1.199(9) . ?
C39_4 C40_4 1.428(9) . ?
C40_4 C41_4 1.393(10) . ?
C40_4 C45_4 1.404(9) . ?
C41_4 C42_4 1.380(9) . ?
C41_4 H41_4 0.9500 . ?
C42_4 C43_4 1.394(13) . ?
C42_4 H42_4 0.9500 . ?
C43_4 N44_4 1.327(11) . ?
C43_4 H43_4 0.9500 . ?
N44_4 C45_4 1.334(9) . ?
C45_4 H45_4 0.9500 . ?
N1_5 C13_5 1.394(9) . ?
N1_5 C2_5 1.398(9) . ?
N1_5 C14_5 1.410(11) . ?
C2_5 C3_5 1.389(8) . ?
C2_5 C7_5 1.410(8) . ?
C3_5 C4_5 1.379(9) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.387(10) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.395(8) . ?
C5_5 C30_5 1.434(9) . ?
C6_5 C7_5 1.396(8) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.446(12) . ?
C8_5 C9_5 1.391(8) . ?
C8_5 C13_5 1.411(8) . ?
C9_5 C10_5 1.388(8) . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.396(10) . ?
C10_5 C38_5 1.434(9) . ?
C11_5 C12_5 1.384(9) . ?
C11_5 H11_5 0.9500 . ?
C12_5 C13_5 1.388(8) . ?
C12_5 H12_5 0.9500 . ?
C14_5 C15_5 1.364(14) . ?
C14_5 C27_5 1.384(14) . ?
C15_5 C16_5 1.408(11) . ?
C15_5 H15_5 0.9500 . ?
C16_5 C29_5 1.417(10) . ?
C16_5 C17_5 1.420(11) . ?
C17_5 C18_5 1.344(13) . ?
C17_5 H17_5 0.9500 . ?
C18_5 C19_5 1.414(11) . ?
C18_5 H18_5 0.9500 . ?
C19_5 C28_5 1.407(11) . ?
C19_5 C20_5 1.417(11) . ?
C20_5 C21_5 1.361(11) . ?
C20_5 H20_5 0.9500 . ?
C21_5 C22_5 1.373(11) . ?
C21_5 H21_5 0.9500 . ?
C22_5 C23_5 1.417(11) . ?
C22_5 H22_5 0.9500 . ?
C23_5 C28_5 1.415(11) . ?
C23_5 C24_5 1.418(11) . ?
C24_5 C25_5 1.347(13) . ?
C24_5 H24_5 0.9500 . ?
C25_5 C26_5 1.414(11) . ?
C25_5 H25_5 0.9500 . ?
C26_5 C27_5 1.406(11) . ?
C26_5 C29_5 1.410(11) . ?
C27_5 H27_5 0.9500 . ?
C28_5 C29_5 1.422(13) . ?
C30_5 C31_5 1.193(10) . ?
C31_5 C32_5 1.432(9) . ?
C32_5 C37_5 1.389(10) . ?
C32_5 C33_5 1.393(10) . ?
C33_5 C34_5 1.387(9) . ?
C33_5 H33_5 0.9500 . ?
C34_5 C35_5 1.382(14) . ?
C34_5 H34_5 0.9500 . ?
C35_5 N36_5 1.326(11) . ?
C35_5 H35_5 0.9500 . ?
N36_5 C37_5 1.334(10) . ?
C37_5 H37_5 0.9500 . ?
C38_5 C39_5 1.192(9) . ?
C39_5 C40_5 1.435(9) . ?
C40_5 C41_5 1.396(10) . ?
C40_5 C45_5 1.397(9) . ?
C41_5 C42_5 1.382(9) . ?
C41_5 H41_5 0.9500 . ?
C42_5 C43_5 1.363(13) . ?
C42_5 H42_5 0.9500 . ?
C43_5 N44_5 1.337(11) . ?
C43_5 H43_5 0.9500 . ?
N44_5 C45_5 1.338(9) . ?
C45_5 H45_5 0.9500 . ?
Pd3_6 N36_7 1.976(15) . ?
Pd3_6 N36_8 1.997(14) . ?
Pd3_6 N36_10 2.015(14) . ?
Pd3_6 N36_9 2.016(14) . ?
Pd4_6 N44_8 1.948(14) . ?
Pd4_6 N44_10 1.988(14) . ?
Pd4_6 N44_9 1.997(14) . ?
Pd4_6 N44_7 2.034(14) . ?
N1_7 C2_7 1.392(9) . ?
N1_7 C13_7 1.392(9) . ?
N1_7 C14_7 1.422(10) . ?
C2_7 C3_7 1.389(8) . ?
C2_7 C7_7 1.415(8) . ?
C3_7 C4_7 1.383(9) . ?
C3_7 H3_7 0.9500 . ?
C4_7 C5_7 1.398(10) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.397(8) . ?
C5_7 C30_7 1.435(9) . ?
C6_7 C7_7 1.397(8) . ?
C6_7 H6_7 0.9500 . ?
C7_7 C8_7 1.450(11) . ?
C8_7 C9_7 1.395(8) . ?
C8_7 C13_7 1.413(8) . ?
C9_7 C10_7 1.392(8) . ?
C9_7 H9_7 0.9500 . ?
C10_7 C11_7 1.398(10) . ?
C10_7 C38_7 1.429(9) . ?
C11_7 C12_7 1.382(9) . ?
C11_7 H11_7 0.9500 . ?
C12_7 C13_7 1.386(8) . ?
C12_7 H12_7 0.9500 . ?
C14_7 C27_7 1.371(13) . ?
C14_7 C15_7 1.386(13) . ?
C15_7 C16_7 1.415(10) . ?
C15_7 H15_7 0.9500 . ?
C16_7 C29_7 1.426(10) . ?
C16_7 C17_7 1.430(11) . ?
C17_7 C18_7 1.342(12) . ?
C17_7 H17_7 0.9500 . ?
C18_7 C19_7 1.420(11) . ?
C18_7 H18_7 0.9500 . ?
C19_7 C28_7 1.406(10) . ?
C19_7 C20_7 1.418(11) . ?
C20_7 C21_7 1.357(11) . ?
C20_7 H20_7 0.9500 . ?
C21_7 C22_7 1.355(11) . ?
C21_7 H21_7 0.9500 . ?
C22_7 C23_7 1.416(11) . ?
C22_7 H22_7 0.9500 . ?
C23_7 C24_7 1.413(11) . ?
C23_7 C28_7 1.413(10) . ?
C24_7 C25_7 1.347(12) . ?
C24_7 H24_7 0.9500 . ?
C25_7 C26_7 1.423(10) . ?
C25_7 H25_7 0.9500 . ?
C26_7 C27_7 1.407(10) . ?
C26_7 C29_7 1.422(10) . ?
C27_7 H27_7 0.9500 . ?
C28_7 C29_7 1.424(12) . ?
C30_7 C31_7 1.187(9) . ?
C31_7 C32_7 1.434(9) . ?
C32_7 C37_7 1.388(9) . ?
C32_7 C33_7 1.397(10) . ?
C33_7 C34_7 1.392(9) . ?
C33_7 H33_7 0.9500 . ?
C34_7 C35_7 1.365(14) . ?
C34_7 H34_7 0.9500 . ?
C35_7 N36_7 1.327(11) . ?
C35_7 H35_7 0.9500 . ?
N36_7 C37_7 1.338(10) . ?
C37_7 H37_7 0.9500 . ?
C38_7 C39_7 1.191(9) . ?
C39_7 C40_7 1.431(9) . ?
C40_7 C41_7 1.389(10) . ?
C40_7 C45_7 1.392(9) . ?
C41_7 C42_7 1.386(9) . ?
C41_7 H41_7 0.9500 . ?
C42_7 C43_7 1.380(13) . ?
C42_7 H42_7 0.9500 . ?
C43_7 N44_7 1.334(11) . ?
C43_7 H43_7 0.9500 . ?
N44_7 C45_7 1.331(9) . ?
C45_7 H45_7 0.9500 . ?
N1_8 C13_8 1.397(9) . ?
N1_8 C2_8 1.399(9) . ?
N1_8 C14_8 1.431(11) . ?
C2_8 C3_8 1.393(8) . ?
C2_8 C7_8 1.414(8) . ?
C3_8 C4_8 1.386(9) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.397(10) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.396(8) . ?
C5_8 C30_8 1.442(9) . ?
C6_8 C7_8 1.392(8) . ?
C6_8 H6_8 0.9500 . ?
C7_8 C8_8 1.449(12) . ?
C8_8 C9_8 1.395(9) . ?
C8_8 C13_8 1.412(8) . ?
C9_8 C10_8 1.392(8) . ?
C9_8 H9_8 0.9500 . ?
C10_8 C11_8 1.394(10) . ?
C10_8 C38_8 1.435(9) . ?
C11_8 C12_8 1.387(9) . ?
C11_8 H11_8 0.9500 . ?
C12_8 C13_8 1.392(8) . ?
C12_8 H12_8 0.9500 . ?
C14_8 C27_8 1.395(15) . ?
C14_8 C15_8 1.399(15) . ?
C15_8 C16_8 1.419(11) . ?
C15_8 H15_8 0.9500 . ?
C16_8 C17_8 1.421(11) . ?
C16_8 C29_8 1.423(11) . ?
C17_8 C18_8 1.363(14) . ?
C17_8 H17_8 0.9500 . ?
C18_8 C19_8 1.425(11) . ?
C18_8 H18_8 0.9500 . ?
C19_8 C20_8 1.412(11) . ?
C19_8 C28_8 1.412(11) . ?
C20_8 C21_8 1.361(12) . ?
C20_8 H20_8 0.9500 . ?
C21_8 C22_8 1.360(12) . ?
C21_8 H21_8 0.9500 . ?
C22_8 C23_8 1.417(11) . ?
C22_8 H22_8 0.9500 . ?
C23_8 C28_8 1.415(11) . ?
C23_8 C24_8 1.418(11) . ?
C24_8 C25_8 1.363(14) . ?
C24_8 H24_8 0.9500 . ?
C25_8 C26_8 1.408(11) . ?
C25_8 H25_8 0.9500 . ?
C26_8 C29_8 1.413(11) . ?
C26_8 C27_8 1.414(11) . ?
C27_8 H27_8 0.9500 . ?
C28_8 C29_8 1.416(13) . ?
C30_8 C31_8 1.205(9) . ?
C31_8 C32_8 1.439(9) . ?
C32_8 C37_8 1.392(9) . ?
C32_8 C33_8 1.402(10) . ?
C33_8 C34_8 1.390(9) . ?
C33_8 H33_8 0.9500 . ?
C34_8 C35_8 1.366(13) . ?
C34_8 H34_8 0.9500 . ?
C35_8 N36_8 1.342(11) . ?
C35_8 H35_8 0.9500 . ?
N36_8 C37_8 1.333(10) . ?
C37_8 H37_8 0.9500 . ?
C38_8 C39_8 1.199(10) . ?
C39_8 C40_8 1.431(9) . ?
C40_8 C41_8 1.391(10) . ?
C40_8 C45_8 1.396(9) . ?
C41_8 C42_8 1.388(9) . ?
C41_8 H41_8 0.9500 . ?
C42_8 C43_8 1.369(13) . ?
C42_8 H42_8 0.9500 . ?
C43_8 N44_8 1.339(11) . ?
C43_8 H43_8 0.9500 . ?
N44_8 C45_8 1.322(10) . ?
C45_8 H45_8 0.9500 . ?
N1_9 C2_9 1.385(9) . ?
N1_9 C13_9 1.401(9) . ?
N1_9 C14_9 1.428(11) . ?
C2_9 C3_9 1.388(8) . ?
C2_9 C7_9 1.410(8) . ?
C3_9 C4_9 1.378(9) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.392(10) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.399(8) . ?
C5_9 C30_9 1.442(9) . ?
C6_9 C7_9 1.387(8) . ?
C6_9 H6_9 0.9500 . ?
C7_9 C8_9 1.450(11) . ?
C8_9 C9_9 1.391(8) . ?
C8_9 C13_9 1.411(8) . ?
C9_9 C10_9 1.395(8) . ?
C9_9 H9_9 0.9500 . ?
C10_9 C11_9 1.385(10) . ?
C10_9 C38_9 1.436(9) . ?
C11_9 C12_9 1.382(9) . ?
C11_9 H11_9 0.9500 . ?
C12_9 C13_9 1.388(8) . ?
C12_9 H12_9 0.9500 . ?
C14_9 C27_9 1.373(15) . ?
C14_9 C15_9 1.386(15) . ?
C15_9 C16_9 1.408(11) . ?
C15_9 H15_9 0.9500 . ?
C16_9 C29_9 1.411(11) . ?
C16_9 C17_9 1.414(11) . ?
C17_9 C18_9 1.366(14) . ?
C17_9 H17_9 0.9500 . ?
C18_9 C19_9 1.417(11) . ?
C18_9 H18_9 0.9500 . ?
C19_9 C28_9 1.411(11) . ?
C19_9 C20_9 1.412(11) . ?
C20_9 C21_9 1.367(12) . ?
C20_9 H20_9 0.9500 . ?
C21_9 C22_9 1.369(12) . ?
C21_9 H21_9 0.9500 . ?
C22_9 C23_9 1.421(11) . ?
C22_9 H22_9 0.9500 . ?
C23_9 C28_9 1.408(11) . ?
C23_9 C24_9 1.416(12) . ?
C24_9 C25_9 1.356(14) . ?
C24_9 H24_9 0.9500 . ?
C25_9 C26_9 1.417(11) . ?
C25_9 H25_9 0.9500 . ?
C26_9 C29_9 1.413(11) . ?
C26_9 C27_9 1.417(11) . ?
C27_9 H27_9 0.9500 . ?
C28_9 C29_9 1.432(13) . ?
C30_9 C31_9 1.200(9) . ?
C31_9 C32_9 1.437(9) . ?
C32_9 C33_9 1.394(10) . ?
C32_9 C37_9 1.401(9) . ?
C33_9 C34_9 1.383(9) . ?
C33_9 H33_9 0.9500 . ?
C34_9 C35_9 1.383(14) . ?
C34_9 H34_9 0.9500 . ?
C35_9 N36_9 1.328(11) . ?
C35_9 H35_9 0.9500 . ?
N36_9 C37_9 1.332(9) . ?
C37_9 H37_9 0.9500 . ?
C38_9 C39_9 1.192(9) . ?
C39_9 C40_9 1.427(9) . ?
C40_9 C41_9 1.391(10) . ?
C40_9 C45_9 1.392(9) . ?
C41_9 C42_9 1.380(9) . ?
C41_9 H41_9 0.9500 . ?
C42_9 C43_9 1.385(13) . ?
C42_9 H42_9 0.9500 . ?
C43_9 N44_9 1.324(11) . ?
C43_9 H43_9 0.9500 . ?
N44_9 C45_9 1.340(9) . ?
C45_9 H45_9 0.9500 . ?
N1_10 C2_10 1.391(9) . ?
N1_10 C13_10 1.391(9) . ?
N1_10 C14_10 1.419(11) . ?
C2_10 C3_10 1.391(8) . ?
C2_10 C7_10 1.416(8) . ?
C3_10 C4_10 1.386(9) . ?
C3_10 H3_10 0.9500 . ?
C4_10 C5_10 1.396(10) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.391(8) . ?
C5_10 C30_10 1.430(9) . ?
C6_10 C7_10 1.393(8) . ?
C6_10 H6_10 0.9500 . ?
C7_10 C8_10 1.448(11) . ?
C8_10 C9_10 1.395(8) . ?
C8_10 C13_10 1.407(8) . ?
C9_10 C10_10 1.389(8) . ?
C9_10 H9_10 0.9500 . ?
C10_10 C11_10 1.398(10) . ?
C10_10 C38_10 1.436(9) . ?
C11_10 C12_10 1.375(9) . ?
C11_10 H11_10 0.9500 . ?
C12_10 C13_10 1.392(8) . ?
C12_10 H12_10 0.9500 . ?
C14_10 C15_10 1.374(14) . ?
C14_10 C27_10 1.379(14) . ?
C15_10 C16_10 1.414(10) . ?
C15_10 H15_10 0.9500 . ?
C16_10 C29_10 1.410(10) . ?
C16_10 C17_10 1.412(11) . ?
C17_10 C18_10 1.352(13) . ?
C17_10 H17_10 0.9500 . ?
C18_10 C19_10 1.424(11) . ?
C18_10 H18_10 0.9500 . ?
C19_10 C20_10 1.416(11) . ?
C19_10 C28_10 1.418(10) . ?
C20_10 C21_10 1.353(11) . ?
C20_10 H20_10 0.9500 . ?
C21_10 C22_10 1.356(11) . ?
C21_10 H21_10 0.9500 . ?
C22_10 C23_10 1.419(11) . ?
C22_10 H22_10 0.9500 . ?
C23_10 C24_10 1.421(11) . ?
C23_10 C28_10 1.422(10) . ?
C24_10 C25_10 1.355(12) . ?
C24_10 H24_10 0.9500 . ?
C25_10 C26_10 1.418(11) . ?
C25_10 H25_10 0.9500 . ?
C26_10 C29_10 1.411(10) . ?
C26_10 C27_10 1.418(11) . ?
C27_10 H27_10 0.9500 . ?
C28_10 C29_10 1.419(12) . ?
C30_10 C31_10 1.186(9) . ?
C31_10 C32_10 1.430(9) . ?
C32_10 C37_10 1.386(9) . ?
C32_10 C33_10 1.400(10) . ?
C33_10 C34_10 1.384(9) . ?
C33_10 H33_10 0.9500 . ?
C34_10 C35_10 1.393(13) . ?
C34_10 H34_10 0.9500 . ?
C35_10 N36_10 1.323(11) . ?
C35_10 H35_10 0.9500 . ?
N36_10 C37_10 1.336(9) . ?
C37_10 H37_10 0.9500 . ?
C38_10 C39_10 1.196(9) . ?
C39_10 C40_10 1.437(9) . ?
C40_10 C41_10 1.393(10) . ?
C40_10 C45_10 1.398(9) . ?
C41_10 C42_10 1.388(9) . ?
C41_10 H41_10 0.9500 . ?
C42_10 C43_10 1.372(13) . ?
C42_10 H42_10 0.9500 . ?
C43_10 N44_10 1.337(11) . ?
C43_10 H43_10 0.9500 . ?
N44_10 C45_10 1.339(9) . ?
C45_10 H45_10 0.9500 . ?
B1_11 F5_11 1.38(2) . ?
B1_11 F2_11 1.38(2) . ?
B1_11 F3_11 1.41(2) . ?
B1_11 F4_11 1.424(19) . ?
B1_12 F3_12 1.37(2) . ?
B1_12 F5_12 1.37(2) . ?
B1_12 F4_12 1.37(2) . ?
B1_12 F2_12 1.37(2) . ?
B1_13 F4_13 1.37(2) . ?
B1_13 F3_13 1.39(2) . ?
B1_13 F2_13 1.40(2) . ?
B1_13 F5_13 1.42(2) . ?
B1_14 F2_14 1.348(19) . ?
B1_14 F3_14 1.36(2) . ?
B1_14 F4_14 1.36(2) . ?
B1_14 F5_14 1.38(2) . ?
B1_15 F2_15 1.356(19) . ?
B1_15 F3_15 1.362(19) . ?
B1_15 F4_15 1.371(19) . ?
B1_15 F5_15 1.37(2) . ?
B1_16 F3_16 1.38(2) . ?
B1_16 F2_16 1.39(2) . ?
B1_16 F5_16 1.40(2) . ?
B1_16 F4_16 1.40(2) . ?
B1_17 F3_17 1.342(19) . ?
B1_17 F2_17 1.368(19) . ?
B1_17 F5_17 1.369(19) . ?
B1_17 F4_17 1.42(2) . ?

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
N36_4 Pd1_1 N36_3 90.9(8) . . ?
N36_4 Pd1_1 N36_2 176.7(8) . . ?
N36_3 Pd1_1 N36_2 91.1(7) . . ?
N36_4 Pd1_1 N36_5 88.2(8) . . ?
N36_3 Pd1_1 N36_5 178.9(8) . . ?
N36_2 Pd1_1 N36_5 89.8(8) . . ?
F4_11 Pd2_1 N44_5 104.8(8) . . ?
F4_11 Pd2_1 N44_2 97.1(8) . . ?
N44_5 Pd2_1 N44_2 90.0(6) . . ?
F4_11 Pd2_1 N44_3 73.9(8) . . ?
N44_5 Pd2_1 N44_3 178.6(7) . . ?
N44_2 Pd2_1 N44_3 90.8(6) . . ?
F4_11 Pd2_1 N44_4 81.5(8) . . ?
N44_5 Pd2_1 N44_4 91.0(6) . . ?
N44_2 Pd2_1 N44_4 178.4(7) . . ?
N44_3 Pd2_1 N44_4 88.2(6) . . ?
C13_2 N1_2 C2_2 108.7(7) . . ?
C13_2 N1_2 C14_2 127.9(9) . . ?
C2_2 N1_2 C14_2 122.6(9) . . ?
C3_2 C2_2 N1_2 128.3(9) . . ?
C3_2 C2_2 C7_2 122.7(8) . . ?
N1_2 C2_2 C7_2 108.8(7) . . ?
C4_2 C3_2 C2_2 117.4(11) . . ?
C4_2 C3_2 H3_2 121.3 . . ?
C2_2 C3_2 H3_2 121.3 . . ?
C3_2 C4_2 C5_2 121.0(11) . . ?
C3_2 C4_2 H4_2 119.5 . . ?
C5_2 C4_2 H4_2 119.5 . . ?
C6_2 C5_2 C4_2 121.6(9) . . ?
C6_2 C5_2 C30_2 120.9(12) . . ?
C4_2 C5_2 C30_2 117.5(11) . . ?
C7_2 C6_2 C5_2 118.3(9) . . ?
C7_2 C6_2 H6_2 120.8 . . ?
C5_2 C6_2 H6_2 120.8 . . ?
C6_2 C7_2 C2_2 119.0(8) . . ?
C6_2 C7_2 C8_2 134.1(10) . . ?
C2_2 C7_2 C8_2 106.8(7) . . ?
C9_2 C8_2 C13_2 119.1(8) . . ?
C9_2 C8_2 C7_2 133.7(10) . . ?
C13_2 C8_2 C7_2 107.2(7) . . ?
C8_2 C9_2 C10_2 119.2(10) . . ?
C8_2 C9_2 H9_2 120.4 . . ?
C10_2 C9_2 H9_2 120.4 . . ?
C9_2 C10_2 C11_2 120.8(9) . . ?
C9_2 C10_2 C38_2 119.4(11) . . ?
C11_2 C10_2 C38_2 119.8(11) . . ?
C12_2 C11_2 C10_2 120.7(11) . . ?
C12_2 C11_2 H11_2 119.6 . . ?
C10_2 C11_2 H11_2 119.6 . . ?
C11_2 C12_2 C13_2 118.6(11) . . ?
C11_2 C12_2 H12_2 120.7 . . ?
C13_2 C12_2 H12_2 120.7 . . ?
C12_2 C13_2 N1_2 130.0(9) . . ?
C12_2 C13_2 C8_2 121.6(8) . . ?
N1_2 C13_2 C8_2 108.5(7) . . ?
C27_2 C14_2 C15_2 122.0(11) . . ?
C27_2 C14_2 N1_2 117.8(13) . . ?
C15_2 C14_2 N1_2 120.1(13) . . ?
C14_2 C15_2 C16_2 119.2(12) . . ?
C14_2 C15_2 H15_2 120.4 . . ?
C16_2 C15_2 H15_2 120.4 . . ?
C15_2 C16_2 C29_2 119.0(11) . . ?
C15_2 C16_2 C17_2 121.6(12) . . ?
C29_2 C16_2 C17_2 119.3(11) . . ?
C18_2 C17_2 C16_2 119.7(12) . . ?
C18_2 C17_2 H17_2 120.1 . . ?
C16_2 C17_2 H17_2 120.1 . . ?
C17_2 C18_2 C19_2 122.3(12) . . ?
C17_2 C18_2 H18_2 118.9 . . ?
C19_2 C18_2 H18_2 118.9 . . ?
C28_2 C19_2 C18_2 119.5(11) . . ?
C28_2 C19_2 C20_2 117.2(10) . . ?
C18_2 C19_2 C20_2 123.2(12) . . ?
C21_2 C20_2 C19_2 121.2(12) . . ?
C21_2 C20_2 H20_2 119.4 . . ?
C19_2 C20_2 H20_2 119.4 . . ?
C20_2 C21_2 C22_2 122.6(12) . . ?
C20_2 C21_2 H21_2 118.7 . . ?
C22_2 C21_2 H21_2 118.7 . . ?
C21_2 C22_2 C23_2 119.3(12) . . ?
C21_2 C22_2 H22_2 120.4 . . ?
C23_2 C22_2 H22_2 120.4 . . ?
C24_2 C23_2 C22_2 122.0(12) . . ?
C24_2 C23_2 C28_2 119.4(11) . . ?
C22_2 C23_2 C28_2 118.5(10) . . ?
C25_2 C24_2 C23_2 120.9(12) . . ?
C25_2 C24_2 H24_2 119.6 . . ?
C23_2 C24_2 H24_2 119.6 . . ?
C24_2 C25_2 C26_2 120.8(12) . . ?
C24_2 C25_2 H25_2 119.6 . . ?
C26_2 C25_2 H25_2 119.6 . . ?
C25_2 C26_2 C29_2 120.5(11) . . ?
C25_2 C26_2 C27_2 121.9(12) . . ?
C29_2 C26_2 C27_2 117.5(11) . . ?
C14_2 C27_2 C26_2 120.7(13) . . ?
C14_2 C27_2 H27_2 119.6 . . ?
C26_2 C27_2 H27_2 119.6 . . ?
C19_2 C28_2 C23_2 121.1(10) . . ?
C19_2 C28_2 C29_2 119.1(10) . . ?
C23_2 C28_2 C29_2 119.7(10) . . ?
C26_2 C29_2 C16_2 121.3(10) . . ?
C26_2 C29_2 C28_2 118.6(10) . . ?
C16_2 C29_2 C28_2 120.0(10) . . ?
C31_2 C30_2 C5_2 172(2) . . ?
C30_2 C31_2 C32_2 178(2) . . ?
C33_2 C32_2 C37_2 118.7(9) . . ?
C33_2 C32_2 C31_2 120.7(13) . . ?
C37_2 C32_2 C31_2 120.5(13) . . ?
C34_2 C33_2 C32_2 118.7(11) . . ?
C34_2 C33_2 H33_2 120.6 . . ?
C32_2 C33_2 H33_2 120.6 . . ?
C35_2 C34_2 C33_2 118.6(12) . . ?
C35_2 C34_2 H34_2 120.7 . . ?
C33_2 C34_2 H34_2 120.7 . . ?
N36_2 C35_2 C34_2 123.4(12) . . ?
N36_2 C35_2 H35_2 118.3 . . ?
C34_2 C35_2 H35_2 118.3 . . ?
C35_2 N36_2 C37_2 118.8(12) . . ?
C35_2 N36_2 Pd1_1 123.2(12) . . ?
C37_2 N36_2 Pd1_1 117.0(12) . . ?
N36_2 C37_2 C32_2 121.9(11) . . ?
N36_2 C37_2 H37_2 119.0 . . ?
C32_2 C37_2 H37_2 119.0 . . ?
C39_2 C38_2 C10_2 177(2) . . ?
C38_2 C39_2 C40_2 175(2) . . ?
C41_2 C40_2 C45_2 116.9(9) . . ?
C41_2 C40_2 C39_2 121.8(12) . . ?
C45_2 C40_2 C39_2 121.3(12) . . ?
C42_2 C41_2 C40_2 119.6(11) . . ?
C42_2 C41_2 H41_2 120.2 . . ?
C40_2 C41_2 H41_2 120.2 . . ?
C43_2 C42_2 C41_2 119.1(12) . . ?
C43_2 C42_2 H42_2 120.5 . . ?
C41_2 C42_2 H42_2 120.5 . . ?
N44_2 C43_2 C42_2 122.9(12) . . ?
N44_2 C43_2 H43_2 118.6 . . ?
C42_2 C43_2 H43_2 118.6 . . ?
C45_2 N44_2 C43_2 117.3(11) . . ?
C45_2 N44_2 Pd2_1 120.3(11) . . ?
C43_2 N44_2 Pd2_1 122.2(11) . . ?
N44_2 C45_2 C40_2 124.3(11) . . ?
N44_2 C45_2 H45_2 117.8 . . ?
C40_2 C45_2 H45_2 117.8 . . ?
C13_3 N1_3 C2_3 108.9(7) . . ?
C13_3 N1_3 C14_3 127.3(9) . . ?
C2_3 N1_3 C14_3 123.6(9) . . ?
C3_3 C2_3 N1_3 129.8(9) . . ?
C3_3 C2_3 C7_3 121.4(8) . . ?
N1_3 C2_3 C7_3 108.8(7) . . ?
C4_3 C3_3 C2_3 118.2(11) . . ?
C4_3 C3_3 H3_3 120.9 . . ?
C2_3 C3_3 H3_3 120.9 . . ?
C3_3 C4_3 C5_3 121.9(11) . . ?
C3_3 C4_3 H4_3 119.0 . . ?
C5_3 C4_3 H4_3 119.0 . . ?
C6_3 C5_3 C4_3 120.1(9) . . ?
C6_3 C5_3 C30_3 120.3(11) . . ?
C4_3 C5_3 C30_3 119.5(11) . . ?
C5_3 C6_3 C7_3 119.1(10) . . ?
C5_3 C6_3 H6_3 120.5 . . ?
C7_3 C6_3 H6_3 120.5 . . ?
C6_3 C7_3 C2_3 119.3(8) . . ?
C6_3 C7_3 C8_3 134.0(10) . . ?
C2_3 C7_3 C8_3 106.7(7) . . ?
C9_3 C8_3 C13_3 118.9(8) . . ?
C9_3 C8_3 C7_3 134.2(10) . . ?
C13_3 C8_3 C7_3 106.8(7) . . ?
C10_3 C9_3 C8_3 119.3(10) . . ?
C10_3 C9_3 H9_3 120.4 . . ?
C8_3 C9_3 H9_3 120.4 . . ?
C9_3 C10_3 C11_3 121.5(9) . . ?
C9_3 C10_3 C38_3 118.8(12) . . ?
C11_3 C10_3 C38_3 119.6(12) . . ?
C12_3 C11_3 C10_3 119.6(11) . . ?
C12_3 C11_3 H11_3 120.2 . . ?
C10_3 C11_3 H11_3 120.2 . . ?
C11_3 C12_3 C13_3 119.4(11) . . ?
C11_3 C12_3 H12_3 120.3 . . ?
C13_3 C12_3 H12_3 120.3 . . ?
N1_3 C13_3 C12_3 130.0(9) . . ?
N1_3 C13_3 C8_3 108.7(7) . . ?
C12_3 C13_3 C8_3 121.3(8) . . ?
C15_3 C14_3 C27_3 119.4(12) . . ?
C15_3 C14_3 N1_3 121.5(14) . . ?
C27_3 C14_3 N1_3 119.1(13) . . ?
C14_3 C15_3 C16_3 121.7(13) . . ?
C14_3 C15_3 H15_3 119.2 . . ?
C16_3 C15_3 H15_3 119.2 . . ?
C17_3 C16_3 C29_3 118.3(11) . . ?
C17_3 C16_3 C15_3 123.1(12) . . ?
C29_3 C16_3 C15_3 118.6(11) . . ?
C18_3 C17_3 C16_3 122.3(13) . . ?
C18_3 C17_3 H17_3 118.9 . . ?
C16_3 C17_3 H17_3 118.9 . . ?
C17_3 C18_3 C19_3 120.9(13) . . ?
C17_3 C18_3 H18_3 119.6 . . ?
C19_3 C18_3 H18_3 119.6 . . ?
C28_3 C19_3 C18_3 118.7(12) . . ?
C28_3 C19_3 C20_3 118.5(11) . . ?
C18_3 C19_3 C20_3 122.7(13) . . ?
C21_3 C20_3 C19_3 120.5(13) . . ?
C21_3 C20_3 H20_3 119.7 . . ?
C19_3 C20_3 H20_3 119.7 . . ?
C20_3 C21_3 C22_3 121.3(12) . . ?
C20_3 C21_3 H21_3 119.4 . . ?
C22_3 C21_3 H21_3 119.4 . . ?
C21_3 C22_3 C23_3 121.4(13) . . ?
C21_3 C22_3 H22_3 119.3 . . ?
C23_3 C22_3 H22_3 119.3 . . ?
C28_3 C23_3 C24_3 118.7(12) . . ?
C28_3 C23_3 C22_3 117.5(11) . . ?
C24_3 C23_3 C22_3 123.8(13) . . ?
C25_3 C24_3 C23_3 122.2(13) . . ?
C25_3 C24_3 H24_3 118.9 . . ?
C23_3 C24_3 H24_3 118.9 . . ?
C24_3 C25_3 C26_3 120.7(13) . . ?
C24_3 C25_3 H25_3 119.7 . . ?
C26_3 C25_3 H25_3 119.7 . . ?
C27_3 C26_3 C29_3 118.3(11) . . ?
C27_3 C26_3 C25_3 123.3(12) . . ?
C29_3 C26_3 C25_3 118.5(11) . . ?
C14_3 C27_3 C26_3 122.1(13) . . ?
C14_3 C27_3 H27_3 119.0 . . ?
C26_3 C27_3 H27_3 119.0 . . ?
C23_3 C28_3 C19_3 120.6(10) . . ?
C23_3 C28_3 C29_3 119.5(11) . . ?
C19_3 C28_3 C29_3 119.9(11) . . ?
C16_3 C29_3 C26_3 119.9(10) . . ?
C16_3 C29_3 C28_3 119.7(11) . . ?
C26_3 C29_3 C28_3 120.4(11) . . ?
C31_3 C30_3 C5_3 171.7(19) . . ?
C30_3 C31_3 C32_3 175.0(17) . . ?
C37_3 C32_3 C33_3 117.7(9) . . ?
C37_3 C32_3 C31_3 122.3(13) . . ?
C33_3 C32_3 C31_3 120.1(13) . . ?
C34_3 C33_3 C32_3 117.9(11) . . ?
C34_3 C33_3 H33_3 121.0 . . ?
C32_3 C33_3 H33_3 121.0 . . ?
C33_3 C34_3 C35_3 118.6(12) . . ?
C33_3 C34_3 H34_3 120.7 . . ?
C35_3 C34_3 H34_3 120.7 . . ?
N36_3 C35_3 C34_3 126.0(13) . . ?
N36_3 C35_3 H35_3 117.0 . . ?
C34_3 C35_3 H35_3 117.0 . . ?
C35_3 N36_3 C37_3 114.3(12) . . ?
C35_3 N36_3 Pd1_1 125.5(13) . . ?
C37_3 N36_3 Pd1_1 120.2(12) . . ?
N36_3 C37_3 C32_3 125.5(11) . . ?
N36_3 C37_3 H37_3 117.3 . . ?
C32_3 C37_3 H37_3 117.3 . . ?
C39_3 C38_3 C10_3 179(2) . . ?
C38_3 C39_3 C40_3 175.6(18) . . ?
C41_3 C40_3 C45_3 117.9(9) . . ?
C41_3 C40_3 C39_3 120.1(12) . . ?
C45_3 C40_3 C39_3 121.9(12) . . ?
C42_3 C41_3 C40_3 119.2(11) . . ?
C42_3 C41_3 H41_3 120.4 . . ?
C40_3 C41_3 H41_3 120.4 . . ?
C43_3 C42_3 C41_3 118.1(12) . . ?
C43_3 C42_3 H42_3 120.9 . . ?
C41_3 C42_3 H42_3 120.9 . . ?
N44_3 C43_3 C42_3 124.3(12) . . ?
N44_3 C43_3 H43_3 117.8 . . ?
C42_3 C43_3 H43_3 117.8 . . ?
C43_3 N44_3 C45_3 117.1(12) . . ?
C43_3 N44_3 Pd2_1 122.5(12) . . ?
C45_3 N44_3 Pd2_1 118.8(11) . . ?
N44_3 C45_3 C40_3 123.2(11) . . ?
N44_3 C45_3 H45_3 118.4 . . ?
C40_3 C45_3 H45_3 118.4 . . ?
C13_4 N1_4 C2_4 108.7(7) . . ?
C13_4 N1_4 C14_4 124.3(9) . . ?
C2_4 N1_4 C14_4 126.8(9) . . ?
C3_4 C2_4 N1_4 130.1(9) . . ?
C3_4 C2_4 C7_4 121.4(8) . . ?
N1_4 C2_4 C7_4 108.5(7) . . ?
C4_4 C3_4 C2_4 118.5(11) . . ?
C4_4 C3_4 H3_4 120.7 . . ?
C2_4 C3_4 H3_4 120.7 . . ?
C3_4 C4_4 C5_4 120.6(11) . . ?
C3_4 C4_4 H4A_4 119.7 . . ?
C5_4 C4_4 H4A_4 119.7 . . ?
C6_4 C5_4 C4_4 120.9(9) . . ?
C6_4 C5_4 C30_4 118.7(12) . . ?
C4_4 C5_4 C30_4 120.4(12) . . ?
C7_4 C6_4 C5_4 118.8(10) . . ?
C7_4 C6_4 H6_4 120.6 . . ?
C5_4 C6_4 H6_4 120.6 . . ?
C6_4 C7_4 C2_4 119.7(9) . . ?
C6_4 C7_4 C8_4 133.0(10) . . ?
C2_4 C7_4 C8_4 107.2(7) . . ?
C9_4 C8_4 C13_4 119.0(8) . . ?
C9_4 C8_4 C7_4 134.4(10) . . ?
C13_4 C8_4 C7_4 106.6(7) . . ?
C8_4 C9_4 C10_4 118.9(9) . . ?
C8_4 C9_4 H9_4 120.6 . . ?
C10_4 C9_4 H9_4 120.6 . . ?
C11_4 C10_4 C9_4 120.8(9) . . ?
C11_4 C10_4 C38_4 119.3(11) . . ?
C9_4 C10_4 C38_4 119.9(11) . . ?
C12_4 C11_4 C10_4 121.5(11) . . ?
C12_4 C11_4 H11_4 119.3 . . ?
C10_4 C11_4 H11_4 119.3 . . ?
C11_4 C12_4 C13_4 117.5(10) . . ?
C11_4 C12_4 H12_4 121.3 . . ?
C13_4 C12_4 H12_4 121.3 . . ?
C12_4 C13_4 N1_4 128.8(9) . . ?
C12_4 C13_4 C8_4 122.2(8) . . ?
N1_4 C13_4 C8_4 108.9(7) . . ?
C15_4 C14_4 C27_4 120.7(11) . . ?
C15_4 C14_4 N1_4 120.7(12) . . ?
C27_4 C14_4 N1_4 118.6(12) . . ?
C14_4 C15_4 C16_4 120.9(12) . . ?
C14_4 C15_4 H15_4 119.5 . . ?
C16_4 C15_4 H15_4 119.5 . . ?
C15_4 C16_4 C29_4 118.3(10) . . ?
C15_4 C16_4 C17_4 121.8(11) . . ?
C29_4 C16_4 C17_4 119.8(10) . . ?
C18_4 C17_4 C16_4 121.4(12) . . ?
C18_4 C17_4 H17_4 119.3 . . ?
C16_4 C17_4 H17_4 119.3 . . ?
C17_4 C18_4 C19_4 120.2(12) . . ?
C17_4 C18_4 H18_4 119.9 . . ?
C19_4 C18_4 H18_4 119.9 . . ?
C18_4 C19_4 C20_4 122.6(12) . . ?
C18_4 C19_4 C28_4 119.4(11) . . ?
C20_4 C19_4 C28_4 117.9(10) . . ?
C21_4 C20_4 C19_4 121.4(12) . . ?
C21_4 C20_4 H20A_4 119.3 . . ?
C19_4 C20_4 H20A_4 119.3 . . ?
C20_4 C21_4 C22_4 121.3(12) . . ?
C20_4 C21_4 H21_4 119.4 . . ?
C22_4 C21_4 H21_4 119.4 . . ?
C21_4 C22_4 C23_4 120.3(12) . . ?
C21_4 C22_4 H22_4 119.9 . . ?
C23_4 C22_4 H22_4 119.9 . . ?
C24_4 C23_4 C28_4 118.4(11) . . ?
C24_4 C23_4 C22_4 122.7(12) . . ?
C28_4 C23_4 C22_4 118.8(10) . . ?
C25_4 C24_4 C23_4 122.5(12) . . ?
C25_4 C24_4 H24_4 118.8 . . ?
C23_4 C24_4 H24_4 118.8 . . ?
C24_4 C25_4 C26_4 120.1(12) . . ?
C24_4 C25_4 H25_4 120.0 . . ?
C26_4 C25_4 H25_4 120.0 . . ?
C27_4 C26_4 C25_4 122.1(11) . . ?
C27_4 C26_4 C29_4 118.5(10) . . ?
C25_4 C26_4 C29_4 119.4(10) . . ?
C14_4 C27_4 C26_4 120.5(12) . . ?
C14_4 C27_4 H27_4 119.7 . . ?
C26_4 C27_4 H27_4 119.7 . . ?
C23_4 C28_4 C19_4 120.2(10) . . ?
C23_4 C28_4 C29_4 119.6(10) . . ?
C19_4 C28_4 C29_4 120.1(10) . . ?
C16_4 C29_4 C26_4 121.0(9) . . ?
C16_4 C29_4 C28_4 119.0(10) . . ?
C26_4 C29_4 C28_4 120.0(10) . . ?
C31_4 C30_4 C5_4 176(2) . . ?
C30_4 C31_4 C32_4 170(2) . . ?
C37_4 C32_4 C33_4 117.5(9) . . ?
C37_4 C32_4 C31_4 121.4(14) . . ?
C33_4 C32_4 C31_4 120.9(14) . . ?
C34_4 C33_4 C32_4 119.6(11) . . ?
C34_4 C33_4 H33_4 120.2 . . ?
C32_4 C33_4 H33_4 120.2 . . ?
C33_4 C34_4 C35_4 117.7(12) . . ?
C33_4 C34_4 H34_4 121.2 . . ?
C35_4 C34_4 H34_4 121.2 . . ?
N36_4 C35_4 C34_4 123.5(13) . . ?
N36_4 C35_4 H35_4 118.3 . . ?
C34_4 C35_4 H35_4 118.3 . . ?
C35_4 N36_4 C37_4 118.6(13) . . ?
C35_4 N36_4 Pd1_1 117.0(14) . . ?
C37_4 N36_4 Pd1_1 121.4(14) . . ?
N36_4 C37_4 C32_4 122.9(11) . . ?
N36_4 C37_4 H37_4 118.5 . . ?
C32_4 C37_4 H37_4 118.5 . . ?
C39_4 C38_4 C10_4 171.4(19) . . ?
C38_4 C39_4 C40_4 175.6(19) . . ?
C41_4 C40_4 C45_4 117.6(9) . . ?
C41_4 C40_4 C39_4 121.3(13) . . ?
C45_4 C40_4 C39_4 120.8(13) . . ?
C42_4 C41_4 C40_4 119.1(11) . . ?
C42_4 C41_4 H41_4 120.5 . . ?
C40_4 C41_4 H41_4 120.5 . . ?
C41_4 C42_4 C43_4 118.7(12) . . ?
C41_4 C42_4 H42_4 120.7 . . ?
C43_4 C42_4 H42_4 120.7 . . ?
N44_4 C43_4 C42_4 123.4(12) . . ?
N44_4 C43_4 H43_4 118.3 . . ?
C42_4 C43_4 H43_4 118.3 . . ?
C43_4 N44_4 C45_4 117.7(12) . . ?
C43_4 N44_4 Pd2_1 122.2(12) . . ?
C45_4 N44_4 Pd2_1 120.1(12) . . ?
N44_4 C45_4 C40_4 123.5(11) . . ?
N44_4 C45_4 H45_4 118.3 . . ?
C40_4 C45_4 H45_4 118.3 . . ?
C13_5 N1_5 C2_5 108.8(7) . . ?
C13_5 N1_5 C14_5 126.5(10) . . ?
C2_5 N1_5 C14_5 124.7(10) . . ?
C3_5 C2_5 N1_5 128.9(10) . . ?
C3_5 C2_5 C7_5 122.6(9) . . ?
N1_5 C2_5 C7_5 108.4(7) . . ?
C4_5 C3_5 C2_5 117.6(11) . . ?
C4_5 C3_5 H3_5 121.2 . . ?
C2_5 C3_5 H3_5 121.2 . . ?
C3_5 C4_5 C5_5 120.8(11) . . ?
C3_5 C4_5 H4_5 119.6 . . ?
C5_5 C4_5 H4_5 119.6 . . ?
C4_5 C5_5 C6_5 122.0(10) . . ?
C4_5 C5_5 C30_5 119.7(12) . . ?
C6_5 C5_5 C30_5 118.2(12) . . ?
C5_5 C6_5 C7_5 118.0(10) . . ?
C5_5 C6_5 H6_5 121.0 . . ?
C7_5 C6_5 H6_5 121.0 . . ?
C6_5 C7_5 C2_5 118.9(9) . . ?
C6_5 C7_5 C8_5 133.8(10) . . ?
C2_5 C7_5 C8_5 107.2(8) . . ?
C9_5 C8_5 C13_5 119.4(9) . . ?
C9_5 C8_5 C7_5 133.9(10) . . ?
C13_5 C8_5 C7_5 106.7(8) . . ?
C10_5 C9_5 C8_5 119.1(10) . . ?
C10_5 C9_5 H9_5 120.5 . . ?
C8_5 C9_5 H9_5 120.5 . . ?
C9_5 C10_5 C11_5 120.7(9) . . ?
C9_5 C10_5 C38_5 118.6(11) . . ?
C11_5 C10_5 C38_5 120.5(12) . . ?
C12_5 C11_5 C10_5 121.1(11) . . ?
C12_5 C11_5 H11_5 119.4 . . ?
C10_5 C11_5 H11_5 119.4 . . ?
C11_5 C12_5 C13_5 118.0(11) . . ?
C11_5 C12_5 H12_5 121.0 . . ?
C13_5 C12_5 H12_5 121.0 . . ?
C12_5 C13_5 N1_5 129.6(9) . . ?
C12_5 C13_5 C8_5 121.6(9) . . ?
N1_5 C13_5 C8_5 108.8(7) . . ?
C15_5 C14_5 C27_5 122.4(12) . . ?
C15_5 C14_5 N1_5 120.2(13) . . ?
C27_5 C14_5 N1_5 117.4(13) . . ?
C14_5 C15_5 C16_5 119.1(13) . . ?
C14_5 C15_5 H15_5 120.5 . . ?
C16_5 C15_5 H15_5 120.5 . . ?
C15_5 C16_5 C29_5 119.5(11) . . ?
C15_5 C16_5 C17_5 121.2(12) . . ?
C29_5 C16_5 C17_5 119.3(11) . . ?
C18_5 C17_5 C16_5 120.4(13) . . ?
C18_5 C17_5 H17_5 119.8 . . ?
C16_5 C17_5 H17_5 119.8 . . ?
C17_5 C18_5 C19_5 121.9(13) . . ?
C17_5 C18_5 H18_5 119.1 . . ?
C19_5 C18_5 H18_5 119.1 . . ?
C28_5 C19_5 C18_5 119.5(12) . . ?
C28_5 C19_5 C20_5 118.3(11) . . ?
C18_5 C19_5 C20_5 122.2(13) . . ?
C21_5 C20_5 C19_5 120.9(13) . . ?
C21_5 C20_5 H20_5 119.6 . . ?
C19_5 C20_5 H20_5 119.6 . . ?
C20_5 C21_5 C22_5 121.3(12) . . ?
C20_5 C21_5 H21_5 119.3 . . ?
C22_5 C21_5 H21_5 119.3 . . ?
C21_5 C22_5 C23_5 120.7(12) . . ?
C21_5 C22_5 H22_5 119.7 . . ?
C23_5 C22_5 H22_5 119.7 . . ?
C28_5 C23_5 C22_5 118.0(11) . . ?
C28_5 C23_5 C24_5 118.6(12) . . ?
C22_5 C23_5 C24_5 123.4(13) . . ?
C25_5 C24_5 C23_5 121.3(13) . . ?
C25_5 C24_5 H24_5 119.3 . . ?
C23_5 C24_5 H24_5 119.3 . . ?
C24_5 C25_5 C26_5 121.5(13) . . ?
C24_5 C25_5 H25_5 119.2 . . ?
C26_5 C25_5 H25_5 119.2 . . ?
C27_5 C26_5 C29_5 117.9(11) . . ?
C27_5 C26_5 C25_5 123.0(12) . . ?
C29_5 C26_5 C25_5 119.0(11) . . ?
C14_5 C27_5 C26_5 120.4(13) . . ?
C14_5 C27_5 H27_5 119.8 . . ?
C26_5 C27_5 H27_5 119.8 . . ?
C19_5 C28_5 C23_5 120.8(10) . . ?
C19_5 C28_5 C29_5 119.1(11) . . ?
C23_5 C28_5 C29_5 120.0(11) . . ?
C26_5 C29_5 C16_5 120.6(10) . . ?
C26_5 C29_5 C28_5 119.5(11) . . ?
C16_5 C29_5 C28_5 119.8(11) . . ?
C31_5 C30_5 C5_5 167(2) . . ?
C30_5 C31_5 C32_5 173(2) . . ?
C37_5 C32_5 C33_5 118.6(9) . . ?
C37_5 C32_5 C31_5 119.3(13) . . ?
C33_5 C32_5 C31_5 122.1(13) . . ?
C34_5 C33_5 C32_5 118.9(11) . . ?
C34_5 C33_5 H33_5 120.5 . . ?
C32_5 C33_5 H33_5 120.5 . . ?
C35_5 C34_5 C33_5 117.6(12) . . ?
C35_5 C34_5 H34_5 121.2 . . ?
C33_5 C34_5 H34_5 121.2 . . ?
N36_5 C35_5 C34_5 124.5(13) . . ?
N36_5 C35_5 H35_5 117.7 . . ?
C34_5 C35_5 H35_5 117.7 . . ?
C35_5 N36_5 C37_5 117.6(12) . . ?
C35_5 N36_5 Pd1_1 124.2(14) . . ?
C37_5 N36_5 Pd1_1 118.2(13) . . ?
N36_5 C37_5 C32_5 122.7(11) . . ?
N36_5 C37_5 H37_5 118.6 . . ?
C32_5 C37_5 H37_5 118.6 . . ?
C39_5 C38_5 C10_5 177(2) . . ?
C38_5 C39_5 C40_5 176.5(18) . . ?
C41_5 C40_5 C45_5 118.1(9) . . ?
C41_5 C40_5 C39_5 120.8(12) . . ?
C45_5 C40_5 C39_5 121.1(12) . . ?
C42_5 C41_5 C40_5 118.8(10) . . ?
C42_5 C41_5 H41_5 120.6 . . ?
C40_5 C41_5 H41_5 120.6 . . ?
C43_5 C42_5 C41_5 117.9(11) . . ?
C43_5 C42_5 H42_5 121.0 . . ?
C41_5 C42_5 H42_5 121.0 . . ?
N44_5 C43_5 C42_5 125.7(12) . . ?
N44_5 C43_5 H43_5 117.1 . . ?
C42_5 C43_5 H43_5 117.1 . . ?
C43_5 N44_5 C45_5 116.0(11) . . ?
C43_5 N44_5 Pd2_1 122.0(11) . . ?
C45_5 N44_5 Pd2_1 122.0(11) . . ?
N44_5 C45_5 C40_5 123.4(11) . . ?
N44_5 C45_5 H45_5 118.3 . . ?
C40_5 C45_5 H45_5 118.3 . . ?
N36_7 Pd3_6 N36_8 88.2(7) . . ?
N36_7 Pd3_6 N36_10 176.8(7) . . ?
N36_8 Pd3_6 N36_10 88.7(6) . . ?
N36_7 Pd3_6 N36_9 91.3(7) . . ?
N36_8 Pd3_6 N36_9 178.7(8) . . ?
N36_10 Pd3_6 N36_9 91.7(7) . . ?
N44_8 Pd4_6 N44_10 85.9(7) . . ?
N44_8 Pd4_6 N44_9 177.3(7) . . ?
N44_10 Pd4_6 N44_9 91.5(7) . . ?
N44_8 Pd4_6 N44_7 89.2(7) . . ?
N44_10 Pd4_6 N44_7 175.0(7) . . ?
N44_9 Pd4_6 N44_7 93.3(7) . . ?
C2_7 N1_7 C13_7 109.1(7) . . ?
C2_7 N1_7 C14_7 125.5(9) . . ?
C13_7 N1_7 C14_7 125.4(9) . . ?
C3_7 C2_7 N1_7 130.3(9) . . ?
C3_7 C2_7 C7_7 121.0(8) . . ?
N1_7 C2_7 C7_7 108.7(7) . . ?
C4_7 C3_7 C2_7 118.8(10) . . ?
C4_7 C3_7 H3_7 120.6 . . ?
C2_7 C3_7 H3_7 120.6 . . ?
C3_7 C4_7 C5_7 121.0(11) . . ?
C3_7 C4_7 H4_7 119.5 . . ?
C5_7 C4_7 H4_7 119.5 . . ?
C6_7 C5_7 C4_7 120.8(9) . . ?
C6_7 C5_7 C30_7 120.1(11) . . ?
C4_7 C5_7 C30_7 119.2(11) . . ?
C5_7 C6_7 C7_7 118.8(9) . . ?
C5_7 C6_7 H6_7 120.6 . . ?
C7_7 C6_7 H6_7 120.6 . . ?
C6_7 C7_7 C2_7 119.7(8) . . ?
C6_7 C7_7 C8_7 133.6(9) . . ?
C2_7 C7_7 C8_7 106.6(7) . . ?
C9_7 C8_7 C13_7 119.4(8) . . ?
C9_7 C8_7 C7_7 133.6(9) . . ?
C13_7 C8_7 C7_7 107.0(7) . . ?
C10_7 C9_7 C8_7 119.2(10) . . ?
C10_7 C9_7 H9_7 120.4 . . ?
C8_7 C9_7 H9_7 120.4 . . ?
C9_7 C10_7 C11_7 120.6(9) . . ?
C9_7 C10_7 C38_7 118.1(11) . . ?
C11_7 C10_7 C38_7 121.3(11) . . ?
C12_7 C11_7 C10_7 120.9(11) . . ?
C12_7 C11_7 H11_7 119.6 . . ?
C10_7 C11_7 H11_7 119.6 . . ?
C11_7 C12_7 C13_7 118.8(11) . . ?
C11_7 C12_7 H12_7 120.6 . . ?
C13_7 C12_7 H12_7 120.6 . . ?
C12_7 C13_7 N1_7 130.3(9) . . ?
C12_7 C13_7 C8_7 121.2(8) . . ?
N1_7 C13_7 C8_7 108.5(7) . . ?
C27_7 C14_7 C15_7 120.9(11) . . ?
C27_7 C14_7 N1_7 120.8(12) . . ?
C15_7 C14_7 N1_7 118.3(11) . . ?
C14_7 C15_7 C16_7 120.4(12) . . ?
C14_7 C15_7 H15_7 119.8 . . ?
C16_7 C15_7 H15_7 119.8 . . ?
C15_7 C16_7 C29_7 118.4(10) . . ?
C15_7 C16_7 C17_7 122.1(11) . . ?
C29_7 C16_7 C17_7 119.5(10) . . ?
C18_7 C17_7 C16_7 120.1(12) . . ?
C18_7 C17_7 H17_7 120.0 . . ?
C16_7 C17_7 H17_7 120.0 . . ?
C17_7 C18_7 C19_7 122.1(12) . . ?
C17_7 C18_7 H18_7 119.0 . . ?
C19_7 C18_7 H18_7 119.0 . . ?
C28_7 C19_7 C20_7 117.5(10) . . ?
C28_7 C19_7 C18_7 119.6(10) . . ?
C20_7 C19_7 C18_7 122.9(11) . . ?
C21_7 C20_7 C19_7 121.0(11) . . ?
C21_7 C20_7 H20_7 119.5 . . ?
C19_7 C20_7 H20_7 119.5 . . ?
C22_7 C21_7 C20_7 121.8(12) . . ?
C22_7 C21_7 H21_7 119.1 . . ?
C20_7 C21_7 H21_7 119.1 . . ?
C21_7 C22_7 C23_7 120.6(11) . . ?
C21_7 C22_7 H22_7 119.7 . . ?
C23_7 C22_7 H22_7 119.7 . . ?
C24_7 C23_7 C28_7 119.0(10) . . ?
C24_7 C23_7 C22_7 123.1(11) . . ?
C28_7 C23_7 C22_7 117.9(10) . . ?
C25_7 C24_7 C23_7 121.7(12) . . ?
C25_7 C24_7 H24_7 119.1 . . ?
C23_7 C24_7 H24_7 119.1 . . ?
C24_7 C25_7 C26_7 121.3(12) . . ?
C24_7 C25_7 H25_7 119.3 . . ?
C26_7 C25_7 H25_7 119.3 . . ?
C27_7 C26_7 C29_7 117.8(10) . . ?
C27_7 C26_7 C25_7 123.7(11) . . ?
C29_7 C26_7 C25_7 118.4(10) . . ?
C14_7 C27_7 C26_7 121.8(12) . . ?
C14_7 C27_7 H27_7 119.1 . . ?
C26_7 C27_7 H27_7 119.1 . . ?
C19_7 C28_7 C23_7 121.1(9) . . ?
C19_7 C28_7 C29_7 119.3(10) . . ?
C23_7 C28_7 C29_7 119.5(10) . . ?
C26_7 C29_7 C28_7 119.9(9) . . ?
C26_7 C29_7 C16_7 120.7(9) . . ?
C28_7 C29_7 C16_7 119.4(9) . . ?
C31_7 C30_7 C5_7 171.4(18) . . ?
C30_7 C31_7 C32_7 175.8(17) . . ?
C37_7 C32_7 C33_7 117.2(9) . . ?
C37_7 C32_7 C31_7 122.3(13) . . ?
C33_7 C32_7 C31_7 120.4(13) . . ?
C34_7 C33_7 C32_7 119.3(11) . . ?
C34_7 C33_7 H33_7 120.3 . . ?
C32_7 C33_7 H33_7 120.4 . . ?
C35_7 C34_7 C33_7 118.2(12) . . ?
C35_7 C34_7 H34_7 120.9 . . ?
C33_7 C34_7 H34_7 120.9 . . ?
N36_7 C35_7 C34_7 124.1(13) . . ?
N36_7 C35_7 H35_7 118.0 . . ?
C34_7 C35_7 H35_7 118.0 . . ?
C35_7 N36_7 C37_7 117.7(12) . . ?
C35_7 N36_7 Pd3_6 119.9(14) . . ?
C37_7 N36_7 Pd3_6 122.4(14) . . ?
N36_7 C37_7 C32_7 123.5(11) . . ?
N36_7 C37_7 H37_7 118.3 . . ?
C32_7 C37_7 H37_7 118.3 . . ?
C39_7 C38_7 C10_7 179.1(18) . . ?
C38_7 C39_7 C40_7 168(2) . . ?
C41_7 C40_7 C45_7 118.8(9) . . ?
C41_7 C40_7 C39_7 121.9(13) . . ?
C45_7 C40_7 C39_7 119.3(13) . . ?
C42_7 C41_7 C40_7 118.6(11) . . ?
C42_7 C41_7 H41_7 120.7 . . ?
C40_7 C41_7 H41_7 120.7 . . ?
C43_7 C42_7 C41_7 117.3(12) . . ?
C43_7 C42_7 H42_7 121.3 . . ?
C41_7 C42_7 H42_7 121.3 . . ?
N44_7 C43_7 C42_7 125.7(12) . . ?
N44_7 C43_7 H43_7 117.1 . . ?
C42_7 C43_7 H43_7 117.1 . . ?
C45_7 N44_7 C43_7 116.0(12) . . ?
C45_7 N44_7 Pd4_6 121.3(12) . . ?
C43_7 N44_7 Pd4_6 122.1(12) . . ?
N44_7 C45_7 C40_7 123.5(11) . . ?
N44_7 C45_7 H45_7 118.2 . . ?
C40_7 C45_7 H45_7 118.2 . . ?
C13_8 N1_8 C2_8 108.5(7) . . ?
C13_8 N1_8 C14_8 121.0(10) . . ?
C2_8 N1_8 C14_8 130.4(11) . . ?
C3_8 C2_8 N1_8 131.2(10) . . ?
C3_8 C2_8 C7_8 119.7(9) . . ?
N1_8 C2_8 C7_8 109.0(7) . . ?
C4_8 C3_8 C2_8 119.2(11) . . ?
C4_8 C3_8 H3_8 120.4 . . ?
C2_8 C3_8 H3_8 120.4 . . ?
C3_8 C4_8 C5_8 121.7(11) . . ?
C3_8 C4_8 H4_8 119.2 . . ?
C5_8 C4_8 H4_8 119.2 . . ?
C6_8 C5_8 C4_8 119.3(9) . . ?
C6_8 C5_8 C30_8 119.9(12) . . ?
C4_8 C5_8 C30_8 120.8(12) . . ?
C7_8 C6_8 C5_8 119.7(10) . . ?
C7_8 C6_8 H6_8 120.1 . . ?
C5_8 C6_8 H6_8 120.1 . . ?
C6_8 C7_8 C2_8 120.4(9) . . ?
C6_8 C7_8 C8_8 132.7(10) . . ?
C2_8 C7_8 C8_8 106.7(8) . . ?
C9_8 C8_8 C13_8 119.5(9) . . ?
C9_8 C8_8 C7_8 133.4(10) . . ?
C13_8 C8_8 C7_8 107.1(8) . . ?
C10_8 C9_8 C8_8 118.4(10) . . ?
C10_8 C9_8 H9_8 120.8 . . ?
C8_8 C9_8 H9_8 120.8 . . ?
C9_8 C10_8 C11_8 121.7(10) . . ?
C9_8 C10_8 C38_8 118.2(12) . . ?
C11_8 C10_8 C38_8 120.0(12) . . ?
C12_8 C11_8 C10_8 120.4(12) . . ?
C12_8 C11_8 H11_8 119.8 . . ?
C10_8 C11_8 H11_8 119.8 . . ?
C11_8 C12_8 C13_8 118.3(11) . . ?
C11_8 C12_8 H12_8 120.8 . . ?
C13_8 C12_8 H12_8 120.8 . . ?
C12_8 C13_8 N1_8 129.6(10) . . ?
C12_8 C13_8 C8_8 121.5(9) . . ?
N1_8 C13_8 C8_8 108.8(7) . . ?
C27_8 C14_8 C15_8 118.9(13) . . ?
C27_8 C14_8 N1_8 118.3(15) . . ?
C15_8 C14_8 N1_8 122.7(15) . . ?
C14_8 C15_8 C16_8 120.7(14) . . ?
C14_8 C15_8 H15_8 119.7 . . ?
C16_8 C15_8 H15_8 119.7 . . ?
C15_8 C16_8 C17_8 122.4(13) . . ?
C15_8 C16_8 C29_8 119.5(12) . . ?
C17_8 C16_8 C29_8 118.1(12) . . ?
C18_8 C17_8 C16_8 120.9(13) . . ?
C18_8 C17_8 H17_8 119.6 . . ?
C16_8 C17_8 H17_8 119.6 . . ?
C17_8 C18_8 C19_8 121.6(14) . . ?
C17_8 C18_8 H18_8 119.2 . . ?
C19_8 C18_8 H18_8 119.2 . . ?
C20_8 C19_8 C28_8 117.1(11) . . ?
C20_8 C19_8 C18_8 123.8(14) . . ?
C28_8 C19_8 C18_8 119.0(12) . . ?
C21_8 C20_8 C19_8 122.0(13) . . ?
C21_8 C20_8 H20_8 119.0 . . ?
C19_8 C20_8 H20_8 119.0 . . ?
C22_8 C21_8 C20_8 121.6(13) . . ?
C22_8 C21_8 H21_8 119.2 . . ?
C20_8 C21_8 H21_8 119.2 . . ?
C21_8 C22_8 C23_8 119.5(13) . . ?
C21_8 C22_8 H22_8 120.2 . . ?
C23_8 C22_8 H22_8 120.2 . . ?
C28_8 C23_8 C22_8 119.3(11) . . ?
C28_8 C23_8 C24_8 119.1(12) . . ?
C22_8 C23_8 C24_8 121.5(13) . . ?
C25_8 C24_8 C23_8 120.1(13) . . ?
C25_8 C24_8 H24_8 120.0 . . ?
C23_8 C24_8 H24_8 120.0 . . ?
C24_8 C25_8 C26_8 121.7(13) . . ?
C24_8 C25_8 H25_8 119.1 . . ?
C26_8 C25_8 H25_8 119.1 . . ?
C25_8 C26_8 C29_8 119.8(12) . . ?
C25_8 C26_8 C27_8 121.9(13) . . ?
C29_8 C26_8 C27_8 118.3(12) . . ?
C14_8 C27_8 C26_8 122.5(14) . . ?
C14_8 C27_8 H27_8 118.7 . . ?
C26_8 C27_8 H27_8 118.7 . . ?
C19_8 C28_8 C23_8 120.3(11) . . ?
C19_8 C28_8 C29_8 119.0(11) . . ?
C23_8 C28_8 C29_8 120.7(11) . . ?
C26_8 C29_8 C28_8 118.6(11) . . ?
C26_8 C29_8 C16_8 120.2(10) . . ?
C28_8 C29_8 C16_8 121.3(11) . . ?
C31_8 C30_8 C5_8 176.1(19) . . ?
C30_8 C31_8 C32_8 177(2) . . ?
C37_8 C32_8 C33_8 115.8(9) . . ?
C37_8 C32_8 C31_8 121.9(13) . . ?
C33_8 C32_8 C31_8 122.4(13) . . ?
C34_8 C33_8 C32_8 119.7(11) . . ?
C34_8 C33_8 H33_8 120.2 . . ?
C32_8 C33_8 H33_8 120.2 . . ?
C35_8 C34_8 C33_8 119.4(12) . . ?
C35_8 C34_8 H34_8 120.3 . . ?
C33_8 C34_8 H34_8 120.3 . . ?
N36_8 C35_8 C34_8 122.5(12) . . ?
N36_8 C35_8 H35_8 118.7 . . ?
C34_8 C35_8 H35_8 118.7 . . ?
C37_8 N36_8 C35_8 117.7(12) . . ?
C37_8 N36_8 Pd3_6 121.4(12) . . ?
C35_8 N36_8 Pd3_6 120.9(12) . . ?
N36_8 C37_8 C32_8 125.0(11) . . ?
N36_8 C37_8 H37_8 117.5 . . ?
C32_8 C37_8 H37_8 117.5 . . ?
C39_8 C38_8 C10_8 175(2) . . ?
C38_8 C39_8 C40_8 166(2) . . ?
C41_8 C40_8 C45_8 117.6(9) . . ?
C41_8 C40_8 C39_8 121.1(13) . . ?
C45_8 C40_8 C39_8 121.2(13) . . ?
C42_8 C41_8 C40_8 118.4(11) . . ?
C42_8 C41_8 H41_8 120.8 . . ?
C40_8 C41_8 H41_8 120.8 . . ?
C43_8 C42_8 C41_8 119.3(12) . . ?
C43_8 C42_8 H42_8 120.4 . . ?
C41_8 C42_8 H42_8 120.4 . . ?
N44_8 C43_8 C42_8 123.3(12) . . ?
N44_8 C43_8 H43_8 118.3 . . ?
C42_8 C43_8 H43_8 118.3 . . ?
C45_8 N44_8 C43_8 117.3(12) . . ?
C45_8 N44_8 Pd4_6 121.6(12) . . ?
C43_8 N44_8 Pd4_6 120.9(13) . . ?
N44_8 C45_8 C40_8 124.0(11) . . ?
N44_8 C45_8 H45_8 118.0 . . ?
C40_8 C45_8 H45_8 118.0 . . ?
C2_9 N1_9 C13_9 108.9(7) . . ?
C2_9 N1_9 C14_9 128.2(10) . . ?
C13_9 N1_9 C14_9 122.8(10) . . ?
N1_9 C2_9 C3_9 130.3(10) . . ?
N1_9 C2_9 C7_9 108.7(7) . . ?
C3_9 C2_9 C7_9 121.0(9) . . ?
C4_9 C3_9 C2_9 118.4(11) . . ?
C4_9 C3_9 H3_9 120.8 . . ?
C2_9 C3_9 H3_9 120.8 . . ?
C3_9 C4_9 C5_9 121.6(11) . . ?
C3_9 C4_9 H4_9 119.2 . . ?
C5_9 C4_9 H4_9 119.2 . . ?
C4_9 C5_9 C6_9 120.0(9) . . ?
C4_9 C5_9 C30_9 120.2(12) . . ?
C6_9 C5_9 C30_9 119.8(12) . . ?
C7_9 C6_9 C5_9 119.1(10) . . ?
C7_9 C6_9 H6_9 120.4 . . ?
C5_9 C6_9 H6_9 120.4 . . ?
C6_9 C7_9 C2_9 119.8(9) . . ?
C6_9 C7_9 C8_9 133.0(10) . . ?
C2_9 C7_9 C8_9 107.2(8) . . ?
C9_9 C8_9 C13_9 119.1(9) . . ?
C9_9 C8_9 C7_9 134.5(10) . . ?
C13_9 C8_9 C7_9 106.4(7) . . ?
C8_9 C9_9 C10_9 119.1(10) . . ?
C8_9 C9_9 H9_9 120.4 . . ?
C10_9 C9_9 H9_9 120.4 . . ?
C11_9 C10_9 C9_9 120.9(9) . . ?
C11_9 C10_9 C38_9 119.2(11) . . ?
C9_9 C10_9 C38_9 119.9(11) . . ?
C12_9 C11_9 C10_9 120.9(11) . . ?
C12_9 C11_9 H11_9 119.5 . . ?
C10_9 C11_9 H11_9 119.5 . . ?
C11_9 C12_9 C13_9 118.5(11) . . ?
C11_9 C12_9 H12_9 120.7 . . ?
C13_9 C12_9 H12_9 120.7 . . ?
C12_9 C13_9 N1_9 129.9(9) . . ?
C12_9 C13_9 C8_9 121.4(9) . . ?
N1_9 C13_9 C8_9 108.7(7) . . ?
C27_9 C14_9 C15_9 120.5(13) . . ?
C27_9 C14_9 N1_9 119.0(15) . . ?
C15_9 C14_9 N1_9 120.4(15) . . ?
C14_9 C15_9 C16_9 122.2(14) . . ?
C14_9 C15_9 H15_9 118.9 . . ?
C16_9 C15_9 H15_9 118.9 . . ?
C15_9 C16_9 C29_9 117.4(12) . . ?
C15_9 C16_9 C17_9 123.3(13) . . ?
C29_9 C16_9 C17_9 119.2(12) . . ?
C18_9 C17_9 C16_9 121.3(13) . . ?
C18_9 C17_9 H17_9 119.3 . . ?
C16_9 C17_9 H17_9 119.3 . . ?
C17_9 C18_9 C19_9 121.1(14) . . ?
C17_9 C18_9 H18_9 119.5 . . ?
C19_9 C18_9 H18_9 119.5 . . ?
C28_9 C19_9 C20_9 117.7(11) . . ?
C28_9 C19_9 C18_9 118.8(12) . . ?
C20_9 C19_9 C18_9 123.4(14) . . ?
C21_9 C20_9 C19_9 121.1(13) . . ?
C21_9 C20_9 H20_9 119.4 . . ?
C19_9 C20_9 H20_9 119.4 . . ?
C20_9 C21_9 C22_9 121.7(13) . . ?
C20_9 C21_9 H21_9 119.2 . . ?
C22_9 C21_9 H21_9 119.2 . . ?
C21_9 C22_9 C23_9 119.8(13) . . ?
C21_9 C22_9 H22_9 120.1 . . ?
C23_9 C22_9 H22_9 120.1 . . ?
C28_9 C23_9 C24_9 119.4(12) . . ?
C28_9 C23_9 C22_9 118.6(11) . . ?
C24_9 C23_9 C22_9 122.0(13) . . ?
C25_9 C24_9 C23_9 121.8(14) . . ?
C25_9 C24_9 H24_9 119.1 . . ?
C23_9 C24_9 H24_9 119.1 . . ?
C24_9 C25_9 C26_9 120.5(13) . . ?
C24_9 C25_9 H25_9 119.8 . . ?
C26_9 C25_9 H25_9 119.8 . . ?
C29_9 C26_9 C25_9 119.2(12) . . ?
C29_9 C26_9 C27_9 120.0(12) . . ?
C25_9 C26_9 C27_9 120.8(13) . . ?
C14_9 C27_9 C26_9 119.4(14) . . ?
C14_9 C27_9 H27_9 120.3 . . ?
C26_9 C27_9 H27_9 120.3 . . ?
C23_9 C28_9 C19_9 121.0(11) . . ?
C23_9 C28_9 C29_9 118.8(11) . . ?
C19_9 C28_9 C29_9 120.1(11) . . ?
C16_9 C29_9 C26_9 120.4(10) . . ?
C16_9 C29_9 C28_9 119.4(11) . . ?
C26_9 C29_9 C28_9 120.2(11) . . ?
C31_9 C30_9 C5_9 174(2) . . ?
C30_9 C31_9 C32_9 178(2) . . ?
C33_9 C32_9 C37_9 116.5(9) . . ?
C33_9 C32_9 C31_9 121.8(13) . . ?
C37_9 C32_9 C31_9 121.6(13) . . ?
C34_9 C33_9 C32_9 120.1(11) . . ?
C34_9 C33_9 H33_9 119.9 . . ?
C32_9 C33_9 H33_9 119.9 . . ?
C33_9 C34_9 C35_9 118.4(12) . . ?
C33_9 C34_9 H34_9 120.8 . . ?
C35_9 C34_9 H34_9 120.8 . . ?
N36_9 C35_9 C34_9 122.8(12) . . ?
N36_9 C35_9 H35_9 118.6 . . ?
C34_9 C35_9 H35_9 118.6 . . ?
C35_9 N36_9 C37_9 118.6(12) . . ?
C35_9 N36_9 Pd3_6 121.3(12) . . ?
C37_9 N36_9 Pd3_6 119.7(12) . . ?
N36_9 C37_9 C32_9 123.6(11) . . ?
N36_9 C37_9 H37_9 118.2 . . ?
C32_9 C37_9 H37_9 118.2 . . ?
C39_9 C38_9 C10_9 173.7(19) . . ?
C38_9 C39_9 C40_9 176.2(17) . . ?
C41_9 C40_9 C45_9 117.5(9) . . ?
C41_9 C40_9 C39_9 120.1(13) . . ?
C45_9 C40_9 C39_9 122.3(13) . . ?
C42_9 C41_9 C40_9 119.6(11) . . ?
C42_9 C41_9 H41_9 120.2 . . ?
C40_9 C41_9 H41_9 120.2 . . ?
C41_9 C42_9 C43_9 118.6(12) . . ?
C41_9 C42_9 H42_9 120.7 . . ?
C43_9 C42_9 H42_9 120.7 . . ?
N44_9 C43_9 C42_9 122.9(12) . . ?
N44_9 C43_9 H43_9 118.6 . . ?
C42_9 C43_9 H43_9 118.6 . . ?
C43_9 N44_9 C45_9 118.5(12) . . ?
C43_9 N44_9 Pd4_6 122.8(12) . . ?
C45_9 N44_9 Pd4_6 118.1(12) . . ?
N44_9 C45_9 C40_9 122.9(11) . . ?
N44_9 C45_9 H45_9 118.5 . . ?
C40_9 C45_9 H45_9 118.5 . . ?
C2_10 N1_10 C13_10 109.0(7) . . ?
C2_10 N1_10 C14_10 127.2(9) . . ?
C13_10 N1_10 C14_10 123.2(9) . . ?
C3_10 C2_10 N1_10 130.3(9) . . ?
C3_10 C2_10 C7_10 121.3(8) . . ?
N1_10 C2_10 C7_10 108.5(7) . . ?
C4_10 C3_10 C2_10 118.8(10) . . ?
C4_10 C3_10 H3_10 120.6 . . ?
C2_10 C3_10 H3_10 120.6 . . ?
C3_10 C4_10 C5_10 120.5(11) . . ?
C3_10 C4_10 H4_10 119.8 . . ?
C5_10 C4_10 H4_10 119.8 . . ?
C6_10 C5_10 C4_10 121.1(9) . . ?
C6_10 C5_10 C30_10 119.3(11) . . ?
C4_10 C5_10 C30_10 119.6(11) . . ?
C5_10 C6_10 C7_10 119.3(9) . . ?
C5_10 C6_10 H6_10 120.4 . . ?
C7_10 C6_10 H6_10 120.4 . . ?
C6_10 C7_10 C2_10 119.2(8) . . ?
C6_10 C7_10 C8_10 134.0(9) . . ?
C2_10 C7_10 C8_10 106.8(7) . . ?
C9_10 C8_10 C13_10 118.5(8) . . ?
C9_10 C8_10 C7_10 134.6(9) . . ?
C13_10 C8_10 C7_10 106.9(7) . . ?
C10_10 C9_10 C8_10 119.8(9) . . ?
C10_10 C9_10 H9_10 120.1 . . ?
C8_10 C9_10 H9_10 120.1 . . ?
C9_10 C10_10 C11_10 120.6(9) . . ?
C9_10 C10_10 C38_10 119.9(11) . . ?
C11_10 C10_10 C38_10 119.4(11) . . ?
C12_10 C11_10 C10_10 120.6(11) . . ?
C12_10 C11_10 H11_10 119.7 . . ?
C10_10 C11_10 H11_10 119.7 . . ?
C11_10 C12_10 C13_10 118.6(10) . . ?
C11_10 C12_10 H12_10 120.7 . . ?
C13_10 C12_10 H12_10 120.7 . . ?
N1_10 C13_10 C12_10 129.3(9) . . ?
N1_10 C13_10 C8_10 108.9(7) . . ?
C12_10 C13_10 C8_10 121.8(8) . . ?
C15_10 C14_10 C27_10 121.4(11) . . ?
C15_10 C14_10 N1_10 120.7(13) . . ?
C27_10 C14_10 N1_10 117.7(12) . . ?
C14_10 C15_10 C16_10 120.8(12) . . ?
C14_10 C15_10 H15_10 119.6 . . ?
C16_10 C15_10 H15_10 119.6 . . ?
C29_10 C16_10 C17_10 119.0(10) . . ?
C29_10 C16_10 C15_10 117.9(10) . . ?
C17_10 C16_10 C15_10 123.0(12) . . ?
C18_10 C17_10 C16_10 121.9(12) . . ?
C18_10 C17_10 H17_10 119.1 . . ?
C16_10 C17_10 H17_10 119.1 . . ?
C17_10 C18_10 C19_10 120.6(12) . . ?
C17_10 C18_10 H18_10 119.7 . . ?
C19_10 C18_10 H18_10 119.7 . . ?
C20_10 C19_10 C28_10 117.8(10) . . ?
C20_10 C19_10 C18_10 123.2(12) . . ?
C28_10 C19_10 C18_10 119.0(11) . . ?
C21_10 C20_10 C19_10 120.9(12) . . ?
C21_10 C20_10 H20_10 119.6 . . ?
C19_10 C20_10 H20_10 119.6 . . ?
C20_10 C21_10 C22_10 122.4(12) . . ?
C20_10 C21_10 H21_10 118.8 . . ?
C22_10 C21_10 H21_10 118.8 . . ?
C21_10 C22_10 C23_10 120.3(12) . . ?
C21_10 C22_10 H22_10 119.8 . . ?
C23_10 C22_10 H22_10 119.8 . . ?
C22_10 C23_10 C24_10 122.4(12) . . ?
C22_10 C23_10 C28_10 118.1(10) . . ?
C24_10 C23_10 C28_10 119.5(11) . . ?
C25_10 C24_10 C23_10 120.3(12) . . ?
C25_10 C24_10 H24_10 119.8 . . ?
C23_10 C24_10 H24_10 119.8 . . ?
C24_10 C25_10 C26_10 121.2(12) . . ?
C24_10 C25_10 H25_10 119.4 . . ?
C26_10 C25_10 H25_10 119.4 . . ?
C29_10 C26_10 C27_10 118.2(10) . . ?
C29_10 C26_10 C25_10 120.1(10) . . ?
C27_10 C26_10 C25_10 121.7(11) . . ?
C14_10 C27_10 C26_10 120.2(12) . . ?
C14_10 C27_10 H27_10 119.9 . . ?
C26_10 C27_10 H27_10 119.9 . . ?
C19_10 C28_10 C29_10 119.6(10) . . ?
C19_10 C28_10 C23_10 120.5(10) . . ?
C29_10 C28_10 C23_10 119.9(10) . . ?
C16_10 C29_10 C26_10 121.4(10) . . ?
C16_10 C29_10 C28_10 119.8(10) . . ?
C26_10 C29_10 C28_10 118.8(10) . . ?
C31_10 C30_10 C5_10 176(2) . . ?
C30_10 C31_10 C32_10 179(2) . . ?
C37_10 C32_10 C33_10 118.0(9) . . ?
C37_10 C32_10 C31_10 121.8(13) . . ?
C33_10 C32_10 C31_10 120.3(12) . . ?
C34_10 C33_10 C32_10 119.3(11) . . ?
C34_10 C33_10 H33_10 120.3 . . ?
C32_10 C33_10 H33_10 120.3 . . ?
C33_10 C34_10 C35_10 117.9(12) . . ?
C33_10 C34_10 H34_10 121.1 . . ?
C35_10 C34_10 H34_10 121.1 . . ?
N36_10 C35_10 C34_10 123.4(12) . . ?
N36_10 C35_10 H35_10 118.3 . . ?
C34_10 C35_10 H35_10 118.3 . . ?
C35_10 N36_10 C37_10 118.4(12) . . ?
C35_10 N36_10 Pd3_6 122.8(12) . . ?
C37_10 N36_10 Pd3_6 118.1(11) . . ?
N36_10 C37_10 C32_10 123.0(11) . . ?
N36_10 C37_10 H37_10 118.5 . . ?
C32_10 C37_10 H37_10 118.5 . . ?
C39_10 C38_10 C10_10 169.9(19) . . ?
C38_10 C39_10 C40_10 168.9(19) . . ?
C41_10 C40_10 C45_10 118.3(9) . . ?
C41_10 C40_10 C39_10 120.4(12) . . ?
C45_10 C40_10 C39_10 121.3(12) . . ?
C42_10 C41_10 C40_10 119.4(10) . . ?
C42_10 C41_10 H41_10 120.3 . . ?
C40_10 C41_10 H41_10 120.3 . . ?
C43_10 C42_10 C41_10 117.2(12) . . ?
C43_10 C42_10 H42_10 121.4 . . ?
C41_10 C42_10 H42_10 121.4 . . ?
N44_10 C43_10 C42_10 125.5(12) . . ?
N44_10 C43_10 H43_10 117.2 . . ?
C42_10 C43_10 H43_10 117.2 . . ?
C43_10 N44_10 C45_10 116.7(11) . . ?
C43_10 N44_10 Pd4_6 121.0(12) . . ?
C45_10 N44_10 Pd4_6 120.9(12) . . ?
N44_10 C45_10 C40_10 122.9(11) . . ?
N44_10 C45_10 H45_10 118.6 . . ?
C40_10 C45_10 H45_10 118.6 . . ?
F5_11 B1_11 F2_11 101(2) . . ?
F5_11 B1_11 F3_11 97(2) . . ?
F2_11 B1_11 F3_11 99(2) . . ?
F5_11 B1_11 F4_11 127(3) . . ?
F2_11 B1_11 F4_11 112(2) . . ?
F3_11 B1_11 F4_11 117(2) . . ?
B1_11 F4_11 Pd2_1 153.8(19) . . ?
F3_12 B1_12 F5_12 113(3) . . ?
F3_12 B1_12 F4_12 110(2) . . ?
F5_12 B1_12 F4_12 99(2) . . ?
F3_12 B1_12 F2_12 109(2) . . ?
F5_12 B1_12 F2_12 112(2) . . ?
F4_12 B1_12 F2_12 115(2) . . ?
F4_13 B1_13 F3_13 108(2) . . ?
F4_13 B1_13 F2_13 117(2) . . ?
F3_13 B1_13 F2_13 104(2) . . ?
F4_13 B1_13 F5_13 104(2) . . ?
F3_13 B1_13 F5_13 112(2) . . ?
F2_13 B1_13 F5_13 112(2) . . ?
F2_14 B1_14 F3_14 110(2) . . ?
F2_14 B1_14 F4_14 119(3) . . ?
F3_14 B1_14 F4_14 111(2) . . ?
F2_14 B1_14 F5_14 112(3) . . ?
F3_14 B1_14 F5_14 102(2) . . ?
F4_14 B1_14 F5_14 101(2) . . ?
F2_15 B1_15 F3_15 113(2) . . ?
F2_15 B1_15 F4_15 113(2) . . ?
F3_15 B1_15 F4_15 113(2) . . ?
F2_15 B1_15 F5_15 105(2) . . ?
F3_15 B1_15 F5_15 109(2) . . ?
F4_15 B1_15 F5_15 104(2) . . ?
F3_16 B1_16 F2_16 111(2) . . ?
F3_16 B1_16 F5_16 110(2) . . ?
F2_16 B1_16 F5_16 113(2) . . ?
F3_16 B1_16 F4_16 112(2) . . ?
F2_16 B1_16 F4_16 104(2) . . ?
F5_16 B1_16 F4_16 108(2) . . ?
F3_17 B1_17 F2_17 109(2) . . ?
F3_17 B1_17 F5_17 110(2) . . ?
F2_17 B1_17 F5_17 118(2) . . ?
F3_17 B1_17 F4_17 99.9(19) . . ?
F2_17 B1_17 F4_17 111(2) . . ?
F5_17 B1_17 F4_17 107.5(19) . . ?

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
C13_2 N1_2 C2_2 C3_2 176.1(14) . . . . ?
C14_2 N1_2 C2_2 C3_2 6(2) . . . . ?
C13_2 N1_2 C2_2 C7_2 0.6(11) . . . . ?
C14_2 N1_2 C2_2 C7_2 -169.7(13) . . . . ?
N1_2 C2_2 C3_2 C4_2 -174.5(15) . . . . ?
C7_2 C2_2 C3_2 C4_2 0.4(17) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.2(18) . . . . ?
C3_2 C4_2 C5_2 C6_2 -0.7(17) . . . . ?
C3_2 C4_2 C5_2 C30_2 179.0(16) . . . . ?
C4_2 C5_2 C6_2 C7_2 0.7(16) . . . . ?
C30_2 C5_2 C6_2 C7_2 -179.0(15) . . . . ?
C5_2 C6_2 C7_2 C2_2 -0.1(16) . . . . ?
C5_2 C6_2 C7_2 C8_2 174.4(15) . . . . ?
C3_2 C2_2 C7_2 C6_2 -0.5(15) . . . . ?
N1_2 C2_2 C7_2 C6_2 175.4(13) . . . . ?
C3_2 C2_2 C7_2 C8_2 -176.3(14) . . . . ?
N1_2 C2_2 C7_2 C8_2 -0.5(10) . . . . ?
C6_2 C7_2 C8_2 C9_2 6(2) . . . . ?
C2_2 C7_2 C8_2 C9_2 -179.5(15) . . . . ?
C6_2 C7_2 C8_2 C13_2 -174.8(15) . . . . ?
C2_2 C7_2 C8_2 C13_2 0.2(10) . . . . ?
C13_2 C8_2 C9_2 C10_2 -0.5(16) . . . . ?
C7_2 C8_2 C9_2 C10_2 179.2(15) . . . . ?
C8_2 C9_2 C10_2 C11_2 1.2(16) . . . . ?
C8_2 C9_2 C10_2 C38_2 -178.7(15) . . . . ?
C9_2 C10_2 C11_2 C12_2 -0.9(17) . . . . ?
C38_2 C10_2 C11_2 C12_2 179.1(17) . . . . ?
C10_2 C11_2 C12_2 C13_2 -0.3(18) . . . . ?
C11_2 C12_2 C13_2 N1_2 -179.7(16) . . . . ?
C11_2 C12_2 C13_2 C8_2 1.1(17) . . . . ?
C2_2 N1_2 C13_2 C12_2 -179.8(15) . . . . ?
C14_2 N1_2 C13_2 C12_2 -10(2) . . . . ?
C2_2 N1_2 C13_2 C8_2 -0.5(11) . . . . ?
C14_2 N1_2 C13_2 C8_2 169.1(14) . . . . ?
C9_2 C8_2 C13_2 C12_2 -0.7(15) . . . . ?
C7_2 C8_2 C13_2 C12_2 179.6(14) . . . . ?
C9_2 C8_2 C13_2 N1_2 179.9(13) . . . . ?
C7_2 C8_2 C13_2 N1_2 0.2(11) . . . . ?
C13_2 N1_2 C14_2 C27_2 136.4(14) . . . . ?
C2_2 N1_2 C14_2 C27_2 -55.2(17) . . . . ?
C13_2 N1_2 C14_2 C15_2 -47.8(18) . . . . ?
C2_2 N1_2 C14_2 C15_2 120.5(14) . . . . ?
C27_2 C14_2 C15_2 C16_2 1.6(16) . . . . ?
N1_2 C14_2 C15_2 C16_2 -174.0(13) . . . . ?
C14_2 C15_2 C16_2 C29_2 1.6(15) . . . . ?
C14_2 C15_2 C16_2 C17_2 178.9(13) . . . . ?
C15_2 C16_2 C17_2 C18_2 -175.7(13) . . . . ?
C29_2 C16_2 C17_2 C18_2 1.7(15) . . . . ?
C16_2 C17_2 C18_2 C19_2 2.0(17) . . . . ?
C17_2 C18_2 C19_2 C28_2 -4.3(16) . . . . ?
C17_2 C18_2 C19_2 C20_2 173.0(13) . . . . ?
C28_2 C19_2 C20_2 C21_2 -0.3(15) . . . . ?
C18_2 C19_2 C20_2 C21_2 -177.6(14) . . . . ?
C19_2 C20_2 C21_2 C22_2 -2.1(19) . . . . ?
C20_2 C21_2 C22_2 C23_2 2.6(19) . . . . ?
C21_2 C22_2 C23_2 C24_2 176.3(14) . . . . ?
C21_2 C22_2 C23_2 C28_2 -0.7(15) . . . . ?
C22_2 C23_2 C24_2 C25_2 -175.9(14) . . . . ?
C28_2 C23_2 C24_2 C25_2 1.1(16) . . . . ?
C23_2 C24_2 C25_2 C26_2 0.7(18) . . . . ?
C24_2 C25_2 C26_2 C29_2 -1.6(16) . . . . ?
C24_2 C25_2 C26_2 C27_2 175.3(14) . . . . ?
C15_2 C14_2 C27_2 C26_2 -3.6(17) . . . . ?
N1_2 C14_2 C27_2 C26_2 172.1(13) . . . . ?
C25_2 C26_2 C27_2 C14_2 -174.6(14) . . . . ?
C29_2 C26_2 C27_2 C14_2 2.4(15) . . . . ?
C18_2 C19_2 C28_2 C23_2 179.5(12) . . . . ?
C20_2 C19_2 C28_2 C23_2 2.1(13) . . . . ?
C18_2 C19_2 C28_2 C29_2 2.9(13) . . . . ?
C20_2 C19_2 C28_2 C29_2 -174.6(11) . . . . ?
C24_2 C23_2 C28_2 C19_2 -178.7(12) . . . . ?
C22_2 C23_2 C28_2 C19_2 -1.6(13) . . . . ?
C24_2 C23_2 C28_2 C29_2 -2.1(13) . . . . ?
C22_2 C23_2 C28_2 C29_2 175.0(11) . . . . ?
C25_2 C26_2 C29_2 C16_2 177.8(12) . . . . ?
C27_2 C26_2 C29_2 C16_2 0.8(13) . . . . ?
C25_2 C26_2 C29_2 C28_2 0.6(13) . . . . ?
C27_2 C26_2 C29_2 C28_2 -176.4(11) . . . . ?
C15_2 C16_2 C29_2 C26_2 -2.7(13) . . . . ?
C17_2 C16_2 C29_2 C26_2 179.9(12) . . . . ?
C15_2 C16_2 C29_2 C28_2 174.5(11) . . . . ?
C17_2 C16_2 C29_2 C28_2 -3.0(13) . . . . ?
C19_2 C28_2 C29_2 C26_2 177.9(10) . . . . ?
C23_2 C28_2 C29_2 C26_2 1.2(12) . . . . ?
C19_2 C28_2 C29_2 C16_2 0.7(12) . . . . ?
C23_2 C28_2 C29_2 C16_2 -176.0(10) . . . . ?
C37_2 C32_2 C33_2 C34_2 -0.9(18) . . . . ?
C31_2 C32_2 C33_2 C34_2 176.0(18) . . . . ?
C32_2 C33_2 C34_2 C35_2 0.7(19) . . . . ?
C33_2 C34_2 C35_2 N36_2 -1(2) . . . . ?
C34_2 C35_2 N36_2 C37_2 1(2) . . . . ?
C34_2 C35_2 N36_2 Pd1_1 -166.7(15) . . . . ?
C35_2 N36_2 C37_2 C32_2 -1(2) . . . . ?
Pd1_1 N36_2 C37_2 C32_2 167.3(13) . . . . ?
C33_2 C32_2 C37_2 N36_2 1.3(18) . . . . ?
C31_2 C32_2 C37_2 N36_2 -175.6(18) . . . . ?
C45_2 C40_2 C41_2 C42_2 1.7(16) . . . . ?
C39_2 C40_2 C41_2 C42_2 -178.4(16) . . . . ?
C40_2 C41_2 C42_2 C43_2 -1.6(18) . . . . ?
C41_2 C42_2 C43_2 N44_2 0.6(19) . . . . ?
C42_2 C43_2 N44_2 C45_2 0.1(19) . . . . ?
C42_2 C43_2 N44_2 Pd2_1 -175.0(12) . . . . ?
C43_2 N44_2 C45_2 C40_2 0.1(19) . . . . ?
Pd2_1 N44_2 C45_2 C40_2 175.3(11) . . . . ?
C41_2 C40_2 C45_2 N44_2 -1.1(17) . . . . ?
C39_2 C40_2 C45_2 N44_2 179.1(16) . . . . ?
C13_3 N1_3 C2_3 C3_3 -179.6(14) . . . . ?
C14_3 N1_3 C2_3 C3_3 -4(2) . . . . ?
C13_3 N1_3 C2_3 C7_3 -1.2(11) . . . . ?
C14_3 N1_3 C2_3 C7_3 174.5(13) . . . . ?
N1_3 C2_3 C3_3 C4_3 177.2(14) . . . . ?
C7_3 C2_3 C3_3 C4_3 -1.0(16) . . . . ?
C2_3 C3_3 C4_3 C5_3 1.2(18) . . . . ?
C3_3 C4_3 C5_3 C6_3 -0.3(16) . . . . ?
C3_3 C4_3 C5_3 C30_3 -178.8(14) . . . . ?
C4_3 C5_3 C6_3 C7_3 -0.9(15) . . . . ?
C30_3 C5_3 C6_3 C7_3 177.6(13) . . . . ?
C5_3 C6_3 C7_3 C2_3 1.1(15) . . . . ?
C5_3 C6_3 C7_3 C8_3 -177.9(14) . . . . ?
C3_3 C2_3 C7_3 C6_3 -0.2(14) . . . . ?
N1_3 C2_3 C7_3 C6_3 -178.7(12) . . . . ?
C3_3 C2_3 C7_3 C8_3 179.1(13) . . . . ?
N1_3 C2_3 C7_3 C8_3 0.6(10) . . . . ?
C6_3 C7_3 C8_3 C9_3 0(2) . . . . ?
C2_3 C7_3 C8_3 C9_3 -179.3(15) . . . . ?
C6_3 C7_3 C8_3 C13_3 179.4(14) . . . . ?
C2_3 C7_3 C8_3 C13_3 0.3(10) . . . . ?
C13_3 C8_3 C9_3 C10_3 0.8(15) . . . . ?
C7_3 C8_3 C9_3 C10_3 -179.7(15) . . . . ?
C8_3 C9_3 C10_3 C11_3 -0.5(16) . . . . ?
C8_3 C9_3 C10_3 C38_3 -179.9(15) . . . . ?
C9_3 C10_3 C11_3 C12_3 0.2(17) . . . . ?
C38_3 C10_3 C11_3 C12_3 179.6(17) . . . . ?
C10_3 C11_3 C12_3 C13_3 -0.2(18) . . . . ?
C2_3 N1_3 C13_3 C12_3 -179.2(15) . . . . ?
C14_3 N1_3 C13_3 C12_3 5(2) . . . . ?
C2_3 N1_3 C13_3 C8_3 1.4(11) . . . . ?
C14_3 N1_3 C13_3 C8_3 -174.1(14) . . . . ?
C11_3 C12_3 C13_3 N1_3 -178.8(16) . . . . ?
C11_3 C12_3 C13_3 C8_3 0.5(17) . . . . ?
C9_3 C8_3 C13_3 N1_3 178.7(13) . . . . ?
C7_3 C8_3 C13_3 N1_3 -1.0(10) . . . . ?
C9_3 C8_3 C13_3 C12_3 -0.8(14) . . . . ?
C7_3 C8_3 C13_3 C12_3 179.6(13) . . . . ?
C13_3 N1_3 C14_3 C15_3 -65.8(18) . . . . ?
C2_3 N1_3 C14_3 C15_3 119.3(15) . . . . ?
C13_3 N1_3 C14_3 C27_3 116.8(15) . . . . ?
C2_3 N1_3 C14_3 C27_3 -58.0(17) . . . . ?
C27_3 C14_3 C15_3 C16_3 2.6(17) . . . . ?
N1_3 C14_3 C15_3 C16_3 -174.8(14) . . . . ?
C14_3 C15_3 C16_3 C17_3 179.3(15) . . . . ?
C14_3 C15_3 C16_3 C29_3 0.9(16) . . . . ?
C29_3 C16_3 C17_3 C18_3 3.0(17) . . . . ?
C15_3 C16_3 C17_3 C18_3 -175.3(16) . . . . ?
C16_3 C17_3 C18_3 C19_3 0(2) . . . . ?
C17_3 C18_3 C19_3 C28_3 -2.9(17) . . . . ?
C17_3 C18_3 C19_3 C20_3 175.0(16) . . . . ?
C28_3 C19_3 C20_3 C21_3 1.0(18) . . . . ?
C18_3 C19_3 C20_3 C21_3 -177.0(17) . . . . ?
C19_3 C20_3 C21_3 C22_3 -4(2) . . . . ?
C20_3 C21_3 C22_3 C23_3 4(2) . . . . ?
C21_3 C22_3 C23_3 C28_3 0.2(18) . . . . ?
C21_3 C22_3 C23_3 C24_3 178.4(17) . . . . ?
C28_3 C23_3 C24_3 C25_3 2.3(17) . . . . ?
C22_3 C23_3 C24_3 C25_3 -175.8(15) . . . . ?
C23_3 C24_3 C25_3 C26_3 1.6(19) . . . . ?
C24_3 C25_3 C26_3 C27_3 174.9(15) . . . . ?
C24_3 C25_3 C26_3 C29_3 -4.2(16) . . . . ?
C15_3 C14_3 C27_3 C26_3 -3.6(17) . . . . ?
N1_3 C14_3 C27_3 C26_3 173.8(14) . . . . ?
C29_3 C26_3 C27_3 C14_3 1.0(16) . . . . ?
C25_3 C26_3 C27_3 C14_3 -178.1(14) . . . . ?
C24_3 C23_3 C28_3 C19_3 178.4(13) . . . . ?
C22_3 C23_3 C28_3 C19_3 -3.3(14) . . . . ?
C24_3 C23_3 C28_3 C29_3 -3.6(14) . . . . ?
C22_3 C23_3 C28_3 C29_3 174.6(13) . . . . ?
C18_3 C19_3 C28_3 C23_3 -179.2(14) . . . . ?
C20_3 C19_3 C28_3 C23_3 2.8(14) . . . . ?
C18_3 C19_3 C28_3 C29_3 2.8(14) . . . . ?
C20_3 C19_3 C28_3 C29_3 -175.2(13) . . . . ?
C17_3 C16_3 C29_3 C26_3 178.1(13) . . . . ?
C15_3 C16_3 C29_3 C26_3 -3.5(13) . . . . ?
C17_3 C16_3 C29_3 C28_3 -3.0(14) . . . . ?
C15_3 C16_3 C29_3 C28_3 175.4(12) . . . . ?
C27_3 C26_3 C29_3 C16_3 2.6(13) . . . . ?
C25_3 C26_3 C29_3 C16_3 -178.3(13) . . . . ?
C27_3 C26_3 C29_3 C28_3 -176.3(12) . . . . ?
C25_3 C26_3 C29_3 C28_3 2.8(13) . . . . ?
C23_3 C28_3 C29_3 C16_3 -177.8(12) . . . . ?
C19_3 C28_3 C29_3 C16_3 0.1(13) . . . . ?
C23_3 C28_3 C29_3 C26_3 1.1(13) . . . . ?
C19_3 C28_3 C29_3 C26_3 179.0(12) . . . . ?
C37_3 C32_3 C33_3 C34_3 -2.2(16) . . . . ?
C31_3 C32_3 C33_3 C34_3 176.6(15) . . . . ?
C32_3 C33_3 C34_3 C35_3 0.8(18) . . . . ?
C33_3 C34_3 C35_3 N36_3 0(2) . . . . ?
C34_3 C35_3 N36_3 C37_3 -0.2(19) . . . . ?
C34_3 C35_3 N36_3 Pd1_1 -178.4(13) . . . . ?
C35_3 N36_3 C37_3 C32_3 -1.5(18) . . . . ?
Pd1_1 N36_3 C37_3 C32_3 176.9(11) . . . . ?
C33_3 C32_3 C37_3 N36_3 2.7(17) . . . . ?
C31_3 C32_3 C37_3 N36_3 -176.1(15) . . . . ?
C45_3 C40_3 C41_3 C42_3 -2.5(17) . . . . ?
C39_3 C40_3 C41_3 C42_3 173.5(18) . . . . ?
C40_3 C41_3 C42_3 C43_3 1.6(19) . . . . ?
C41_3 C42_3 C43_3 N44_3 1(2) . . . . ?
C42_3 C43_3 N44_3 C45_3 -3(2) . . . . ?
C42_3 C43_3 N44_3 Pd2_1 -168.8(15) . . . . ?
C43_3 N44_3 C45_3 C40_3 2(2) . . . . ?
Pd2_1 N44_3 C45_3 C40_3 168.3(13) . . . . ?
C41_3 C40_3 C45_3 N44_3 0.6(18) . . . . ?
C39_3 C40_3 C45_3 N44_3 -175.2(18) . . . . ?
C13_4 N1_4 C2_4 C3_4 179.7(14) . . . . ?
C14_4 N1_4 C2_4 C3_4 -3(2) . . . . ?
C13_4 N1_4 C2_4 C7_4 1.1(11) . . . . ?
C14_4 N1_4 C2_4 C7_4 178.1(13) . . . . ?
N1_4 C2_4 C3_4 C4_4 -177.5(15) . . . . ?
C7_4 C2_4 C3_4 C4_4 0.9(16) . . . . ?
C2_4 C3_4 C4_4 C5_4 -0.4(18) . . . . ?
C3_4 C4_4 C5_4 C6_4 0.4(17) . . . . ?
C3_4 C4_4 C5_4 C30_4 179.7(17) . . . . ?
C4_4 C5_4 C6_4 C7_4 -0.9(16) . . . . ?
C30_4 C5_4 C6_4 C7_4 179.8(15) . . . . ?
C5_4 C6_4 C7_4 C2_4 1.3(16) . . . . ?
C5_4 C6_4 C7_4 C8_4 179.2(14) . . . . ?
C3_4 C2_4 C7_4 C6_4 -1.4(14) . . . . ?
N1_4 C2_4 C7_4 C6_4 177.3(13) . . . . ?
C3_4 C2_4 C7_4 C8_4 -179.7(13) . . . . ?
N1_4 C2_4 C7_4 C8_4 -1.0(10) . . . . ?
C6_4 C7_4 C8_4 C9_4 1(2) . . . . ?
C2_4 C7_4 C8_4 C9_4 178.8(14) . . . . ?
C6_4 C7_4 C8_4 C13_4 -177.5(14) . . . . ?
C2_4 C7_4 C8_4 C13_4 0.6(10) . . . . ?
C13_4 C8_4 C9_4 C10_4 -0.6(15) . . . . ?
C7_4 C8_4 C9_4 C10_4 -178.7(14) . . . . ?
C8_4 C9_4 C10_4 C11_4 -1.7(16) . . . . ?
C8_4 C9_4 C10_4 C38_4 177.7(14) . . . . ?
C9_4 C10_4 C11_4 C12_4 2.6(16) . . . . ?
C38_4 C10_4 C11_4 C12_4 -176.8(15) . . . . ?
C10_4 C11_4 C12_4 C13_4 -1.0(17) . . . . ?
C11_4 C12_4 C13_4 N1_4 179.4(14) . . . . ?
C11_4 C12_4 C13_4 C8_4 -1.4(16) . . . . ?
C2_4 N1_4 C13_4 C12_4 178.5(13) . . . . ?
C14_4 N1_4 C13_4 C12_4 1.4(19) . . . . ?
C2_4 N1_4 C13_4 C8_4 -0.7(10) . . . . ?
C14_4 N1_4 C13_4 C8_4 -177.9(12) . . . . ?
C9_4 C8_4 C13_4 C12_4 2.3(14) . . . . ?
C7_4 C8_4 C13_4 C12_4 -179.2(13) . . . . ?
C9_4 C8_4 C13_4 N1_4 -178.4(12) . . . . ?
C7_4 C8_4 C13_4 N1_4 0.1(10) . . . . ?
C13_4 N1_4 C14_4 C15_4 -53.5(17) . . . . ?
C2_4 N1_4 C14_4 C15_4 129.9(14) . . . . ?
C13_4 N1_4 C14_4 C27_4 127.6(13) . . . . ?
C2_4 N1_4 C14_4 C27_4 -49.0(17) . . . . ?
C27_4 C14_4 C15_4 C16_4 -0.5(16) . . . . ?
N1_4 C14_4 C15_4 C16_4 -179.4(14) . . . . ?
C14_4 C15_4 C16_4 C29_4 -0.3(16) . . . . ?
C14_4 C15_4 C16_4 C17_4 -179.9(14) . . . . ?
C15_4 C16_4 C17_4 C18_4 177.8(15) . . . . ?
C29_4 C16_4 C17_4 C18_4 -1.8(17) . . . . ?
C16_4 C17_4 C18_4 C19_4 0.3(18) . . . . ?
C17_4 C18_4 C19_4 C20_4 -178.6(15) . . . . ?
C17_4 C18_4 C19_4 C28_4 0.7(16) . . . . ?
C18_4 C19_4 C20_4 C21_4 178.7(16) . . . . ?
C28_4 C19_4 C20_4 C21_4 -0.6(17) . . . . ?
C19_4 C20_4 C21_4 C22_4 1(2) . . . . ?
C20_4 C21_4 C22_4 C23_4 -1(2) . . . . ?
C21_4 C22_4 C23_4 C24_4 179.6(16) . . . . ?
C21_4 C22_4 C23_4 C28_4 -0.8(17) . . . . ?
C28_4 C23_4 C24_4 C25_4 -1.6(17) . . . . ?
C22_4 C23_4 C24_4 C25_4 178.1(16) . . . . ?
C23_4 C24_4 C25_4 C26_4 0.5(19) . . . . ?
C24_4 C25_4 C26_4 C27_4 -177.1(15) . . . . ?
C24_4 C25_4 C26_4 C29_4 0.8(16) . . . . ?
C15_4 C14_4 C27_4 C26_4 0.1(16) . . . . ?
N1_4 C14_4 C27_4 C26_4 179.0(14) . . . . ?
C25_4 C26_4 C27_4 C14_4 179.1(14) . . . . ?
C29_4 C26_4 C27_4 C14_4 1.1(16) . . . . ?
C24_4 C23_4 C28_4 C19_4 -178.7(13) . . . . ?
C22_4 C23_4 C28_4 C19_4 1.6(14) . . . . ?
C24_4 C23_4 C28_4 C29_4 1.4(14) . . . . ?
C22_4 C23_4 C28_4 C29_4 -178.3(13) . . . . ?
C18_4 C19_4 C28_4 C23_4 179.7(13) . . . . ?
C20_4 C19_4 C28_4 C23_4 -1.0(14) . . . . ?
C18_4 C19_4 C28_4 C29_4 -0.4(14) . . . . ?
C20_4 C19_4 C28_4 C29_4 179.0(13) . . . . ?
C15_4 C16_4 C29_4 C26_4 1.6(14) . . . . ?
C17_4 C16_4 C29_4 C26_4 -178.9(13) . . . . ?
C15_4 C16_4 C29_4 C28_4 -177.5(12) . . . . ?
C17_4 C16_4 C29_4 C28_4 2.1(13) . . . . ?
C27_4 C26_4 C29_4 C16_4 -2.0(14) . . . . ?
C25_4 C26_4 C29_4 C16_4 180.0(13) . . . . ?
C27_4 C26_4 C29_4 C28_4 177.0(13) . . . . ?
C25_4 C26_4 C29_4 C28_4 -1.0(14) . . . . ?
C23_4 C28_4 C29_4 C16_4 178.9(11) . . . . ?
C19_4 C28_4 C29_4 C16_4 -1.0(13) . . . . ?
C23_4 C28_4 C29_4 C26_4 -0.1(13) . . . . ?
C19_4 C28_4 C29_4 C26_4 179.9(12) . . . . ?
C30_4 C31_4 C32_4 C37_4 13(13) . . . . ?
C30_4 C31_4 C32_4 C33_4 -163(12) . . . . ?
C37_4 C32_4 C33_4 C34_4 -3.9(18) . . . . ?
C31_4 C32_4 C33_4 C34_4 172(2) . . . . ?
C32_4 C33_4 C34_4 C35_4 1(2) . . . . ?
C33_4 C34_4 C35_4 N36_4 2(2) . . . . ?
C34_4 C35_4 N36_4 C37_4 -3(2) . . . . ?
C34_4 C35_4 N36_4 Pd1_1 157.7(17) . . . . ?
C35_4 N36_4 C37_4 C32_4 0(2) . . . . ?
Pd1_1 N36_4 C37_4 C32_4 -159.9(15) . . . . ?
C33_4 C32_4 C37_4 N36_4 3.5(19) . . . . ?
C31_4 C32_4 C37_4 N36_4 -172(2) . . . . ?
C45_4 C40_4 C41_4 C42_4 -2.6(16) . . . . ?
C39_4 C40_4 C41_4 C42_4 171.7(15) . . . . ?
C40_4 C41_4 C42_4 C43_4 1.7(18) . . . . ?
C41_4 C42_4 C43_4 N44_4 0.1(19) . . . . ?
C42_4 C43_4 N44_4 C45_4 -0.9(19) . . . . ?
C42_4 C43_4 N44_4 Pd2_1 177.4(12) . . . . ?
C43_4 N44_4 C45_4 C40_4 -0.1(18) . . . . ?
Pd2_1 N44_4 C45_4 C40_4 -178.5(10) . . . . ?
C41_4 C40_4 C45_4 N44_4 1.8(17) . . . . ?
C39_4 C40_4 C45_4 N44_4 -172.5(15) . . . . ?
C13_5 N1_5 C2_5 C3_5 -176.8(15) . . . . ?
C14_5 N1_5 C2_5 C3_5 2(2) . . . . ?
C13_5 N1_5 C2_5 C7_5 -0.2(11) . . . . ?
C14_5 N1_5 C2_5 C7_5 178.4(13) . . . . ?
N1_5 C2_5 C3_5 C4_5 174.7(16) . . . . ?
C7_5 C2_5 C3_5 C4_5 -1.4(17) . . . . ?
C2_5 C3_5 C4_5 C5_5 1.8(19) . . . . ?
C3_5 C4_5 C5_5 C6_5 -0.1(18) . . . . ?
C3_5 C4_5 C5_5 C30_5 -178.8(18) . . . . ?
C4_5 C5_5 C6_5 C7_5 -1.9(17) . . . . ?
C30_5 C5_5 C6_5 C7_5 176.7(16) . . . . ?
C5_5 C6_5 C7_5 C2_5 2.3(16) . . . . ?
C5_5 C6_5 C7_5 C8_5 -174.3(15) . . . . ?
C3_5 C2_5 C7_5 C6_5 -0.6(15) . . . . ?
N1_5 C2_5 C7_5 C6_5 -177.5(14) . . . . ?
C3_5 C2_5 C7_5 C8_5 176.7(14) . . . . ?
N1_5 C2_5 C7_5 C8_5 -0.1(11) . . . . ?
C6_5 C7_5 C8_5 C9_5 -2(2) . . . . ?
C2_5 C7_5 C8_5 C9_5 -179.3(14) . . . . ?
C6_5 C7_5 C8_5 C13_5 177.2(15) . . . . ?
C2_5 C7_5 C8_5 C13_5 0.4(10) . . . . ?
C13_5 C8_5 C9_5 C10_5 0.5(15) . . . . ?
C7_5 C8_5 C9_5 C10_5 -179.9(14) . . . . ?
C8_5 C9_5 C10_5 C11_5 0.8(16) . . . . ?
C8_5 C9_5 C10_5 C38_5 -174.4(13) . . . . ?
C9_5 C10_5 C11_5 C12_5 -0.9(17) . . . . ?
C38_5 C10_5 C11_5 C12_5 174.3(15) . . . . ?
C10_5 C11_5 C12_5 C13_5 -0.3(18) . . . . ?
C11_5 C12_5 C13_5 N1_5 -179.5(14) . . . . ?
C11_5 C12_5 C13_5 C8_5 1.7(16) . . . . ?
C2_5 N1_5 C13_5 C12_5 -178.5(14) . . . . ?
C14_5 N1_5 C13_5 C12_5 3(2) . . . . ?
C2_5 N1_5 C13_5 C8_5 0.5(11) . . . . ?
C14_5 N1_5 C13_5 C8_5 -178.2(13) . . . . ?
C9_5 C8_5 C13_5 C12_5 -1.7(14) . . . . ?
C7_5 C8_5 C13_5 C12_5 178.6(13) . . . . ?
C9_5 C8_5 C13_5 N1_5 179.2(12) . . . . ?
C7_5 C8_5 C13_5 N1_5 -0.5(10) . . . . ?
C13_5 N1_5 C14_5 C15_5 -55.8(18) . . . . ?
C2_5 N1_5 C14_5 C15_5 125.8(15) . . . . ?
C13_5 N1_5 C14_5 C27_5 124.0(15) . . . . ?
C2_5 N1_5 C14_5 C27_5 -54.4(17) . . . . ?
C27_5 C14_5 C15_5 C16_5 0.7(17) . . . . ?
N1_5 C14_5 C15_5 C16_5 -179.5(14) . . . . ?
C14_5 C15_5 C16_5 C29_5 -1.2(16) . . . . ?
C14_5 C15_5 C16_5 C17_5 -178.5(14) . . . . ?
C15_5 C16_5 C17_5 C18_5 176.4(15) . . . . ?
C29_5 C16_5 C17_5 C18_5 -0.8(17) . . . . ?
C16_5 C17_5 C18_5 C19_5 0.1(19) . . . . ?
C17_5 C18_5 C19_5 C28_5 0.9(17) . . . . ?
C17_5 C18_5 C19_5 C20_5 -177.6(16) . . . . ?
C28_5 C19_5 C20_5 C21_5 -0.2(18) . . . . ?
C18_5 C19_5 C20_5 C21_5 178.3(17) . . . . ?
C19_5 C20_5 C21_5 C22_5 0(2) . . . . ?
C20_5 C21_5 C22_5 C23_5 1(2) . . . . ?
C21_5 C22_5 C23_5 C28_5 -0.8(18) . . . . ?
C21_5 C22_5 C23_5 C24_5 -178.6(17) . . . . ?
C28_5 C23_5 C24_5 C25_5 -1.8(17) . . . . ?
C22_5 C23_5 C24_5 C25_5 175.9(17) . . . . ?
C23_5 C24_5 C25_5 C26_5 1(2) . . . . ?
C24_5 C25_5 C26_5 C27_5 -178.5(16) . . . . ?
C24_5 C25_5 C26_5 C29_5 0.3(17) . . . . ?
C15_5 C14_5 C27_5 C26_5 0.3(17) . . . . ?
N1_5 C14_5 C27_5 C26_5 -179.5(14) . . . . ?
C29_5 C26_5 C27_5 C14_5 -0.8(16) . . . . ?
C25_5 C26_5 C27_5 C14_5 178.0(15) . . . . ?
C18_5 C19_5 C28_5 C23_5 -178.7(13) . . . . ?
C20_5 C19_5 C28_5 C23_5 -0.1(14) . . . . ?
C18_5 C19_5 C28_5 C29_5 -1.1(14) . . . . ?
C20_5 C19_5 C28_5 C29_5 177.4(13) . . . . ?
C22_5 C23_5 C28_5 C19_5 0.6(14) . . . . ?
C24_5 C23_5 C28_5 C19_5 178.5(14) . . . . ?
C22_5 C23_5 C28_5 C29_5 -176.9(14) . . . . ?
C24_5 C23_5 C28_5 C29_5 1.0(14) . . . . ?
C27_5 C26_5 C29_5 C16_5 0.3(14) . . . . ?
C25_5 C26_5 C29_5 C16_5 -178.6(13) . . . . ?
C27_5 C26_5 C29_5 C28_5 177.8(13) . . . . ?
C25_5 C26_5 C29_5 C28_5 -1.1(14) . . . . ?
C15_5 C16_5 C29_5 C26_5 0.8(14) . . . . ?
C17_5 C16_5 C29_5 C26_5 178.0(13) . . . . ?
C15_5 C16_5 C29_5 C28_5 -176.7(13) . . . . ?
C17_5 C16_5 C29_5 C28_5 0.5(14) . . . . ?
C19_5 C28_5 C29_5 C26_5 -177.1(12) . . . . ?
C23_5 C28_5 C29_5 C26_5 0.4(13) . . . . ?
C19_5 C28_5 C29_5 C16_5 0.4(13) . . . . ?
C23_5 C28_5 C29_5 C16_5 178.0(12) . . . . ?
C4_5 C5_5 C30_5 C31_5 0(9) . . . . ?
C6_5 C5_5 C30_5 C31_5 -179(100) . . . . ?
C37_5 C32_5 C33_5 C34_5 -1.0(18) . . . . ?
C31_5 C32_5 C33_5 C34_5 178(2) . . . . ?
C32_5 C33_5 C34_5 C35_5 1(2) . . . . ?
C33_5 C34_5 C35_5 N36_5 -1(2) . . . . ?
C34_5 C35_5 N36_5 C37_5 -1(2) . . . . ?
C34_5 C35_5 N36_5 Pd1_1 178.8(18) . . . . ?
C35_5 N36_5 C37_5 C32_5 1(2) . . . . ?
Pd1_1 N36_5 C37_5 C32_5 -178.3(15) . . . . ?
C33_5 C32_5 C37_5 N36_5 0(2) . . . . ?
C31_5 C32_5 C37_5 N36_5 -179(2) . . . . ?
C45_5 C40_5 C41_5 C42_5 -1.1(16) . . . . ?
C39_5 C40_5 C41_5 C42_5 178.4(15) . . . . ?
C40_5 C41_5 C42_5 C43_5 1.8(17) . . . . ?
C41_5 C42_5 C43_5 N44_5 -1.5(19) . . . . ?
C42_5 C43_5 N44_5 C45_5 0.4(18) . . . . ?
C42_5 C43_5 N44_5 Pd2_1 179.0(12) . . . . ?
C43_5 N44_5 C45_5 C40_5 0.4(18) . . . . ?
Pd2_1 N44_5 C45_5 C40_5 -178.2(10) . . . . ?
C41_5 C40_5 C45_5 N44_5 -0.1(17) . . . . ?
C39_5 C40_5 C45_5 N44_5 -179.5(15) . . . . ?
C13_7 N1_7 C2_7 C3_7 -179.2(14) . . . . ?
C14_7 N1_7 C2_7 C3_7 -1.2(19) . . . . ?
C13_7 N1_7 C2_7 C7_7 -0.3(10) . . . . ?
C14_7 N1_7 C2_7 C7_7 177.8(12) . . . . ?
N1_7 C2_7 C3_7 C4_7 179.0(14) . . . . ?
C7_7 C2_7 C3_7 C4_7 0.2(16) . . . . ?
C2_7 C3_7 C4_7 C5_7 0.1(17) . . . . ?
C3_7 C4_7 C5_7 C6_7 -0.5(16) . . . . ?
C3_7 C4_7 C5_7 C30_7 178.3(15) . . . . ?
C4_7 C5_7 C6_7 C7_7 0.5(15) . . . . ?
C30_7 C5_7 C6_7 C7_7 -178.2(13) . . . . ?
C5_7 C6_7 C7_7 C2_7 -0.2(15) . . . . ?
C5_7 C6_7 C7_7 C8_7 -179.6(14) . . . . ?
C3_7 C2_7 C7_7 C6_7 -0.1(14) . . . . ?
N1_7 C2_7 C7_7 C6_7 -179.2(12) . . . . ?
C3_7 C2_7 C7_7 C8_7 179.4(12) . . . . ?
N1_7 C2_7 C7_7 C8_7 0.4(10) . . . . ?
C6_7 C7_7 C8_7 C9_7 -2(2) . . . . ?
C2_7 C7_7 C8_7 C9_7 178.7(14) . . . . ?
C6_7 C7_7 C8_7 C13_7 179.2(14) . . . . ?
C2_7 C7_7 C8_7 C13_7 -0.3(10) . . . . ?
C13_7 C8_7 C9_7 C10_7 0.0(15) . . . . ?
C7_7 C8_7 C9_7 C10_7 -178.9(14) . . . . ?
C8_7 C9_7 C10_7 C11_7 0.8(16) . . . . ?
C8_7 C9_7 C10_7 C38_7 -177.7(14) . . . . ?
C9_7 C10_7 C11_7 C12_7 -1.2(17) . . . . ?
C38_7 C10_7 C11_7 C12_7 177.3(16) . . . . ?
C10_7 C11_7 C12_7 C13_7 0.7(18) . . . . ?
C11_7 C12_7 C13_7 N1_7 178.4(14) . . . . ?
C11_7 C12_7 C13_7 C8_7 0.1(16) . . . . ?
C2_7 N1_7 C13_7 C12_7 -178.3(14) . . . . ?
C14_7 N1_7 C13_7 C12_7 3.6(19) . . . . ?
C2_7 N1_7 C13_7 C8_7 0.2(11) . . . . ?
C14_7 N1_7 C13_7 C8_7 -177.9(12) . . . . ?
C9_7 C8_7 C13_7 C12_7 -0.4(14) . . . . ?
C7_7 C8_7 C13_7 C12_7 178.7(13) . . . . ?
C9_7 C8_7 C13_7 N1_7 -179.1(12) . . . . ?
C7_7 C8_7 C13_7 N1_7 0.1(10) . . . . ?
C2_7 N1_7 C14_7 C27_7 55.4(17) . . . . ?
C13_7 N1_7 C14_7 C27_7 -126.8(14) . . . . ?
C2_7 N1_7 C14_7 C15_7 -125.0(13) . . . . ?
C13_7 N1_7 C14_7 C15_7 52.8(16) . . . . ?
C27_7 C14_7 C15_7 C16_7 0.1(16) . . . . ?
N1_7 C14_7 C15_7 C16_7 -179.5(13) . . . . ?
C14_7 C15_7 C16_7 C29_7 -0.4(15) . . . . ?
C14_7 C15_7 C16_7 C17_7 -177.7(14) . . . . ?
C15_7 C16_7 C17_7 C18_7 176.0(14) . . . . ?
C29_7 C16_7 C17_7 C18_7 -1.4(16) . . . . ?
C16_7 C17_7 C18_7 C19_7 1.1(18) . . . . ?
C17_7 C18_7 C19_7 C28_7 0.3(16) . . . . ?
C17_7 C18_7 C19_7 C20_7 178.6(15) . . . . ?
C28_7 C19_7 C20_7 C21_7 0.4(16) . . . . ?
C18_7 C19_7 C20_7 C21_7 -177.9(15) . . . . ?
C19_7 C20_7 C21_7 C22_7 -0.7(19) . . . . ?
C20_7 C21_7 C22_7 C23_7 -0.3(19) . . . . ?
C21_7 C22_7 C23_7 C24_7 -177.7(15) . . . . ?
C21_7 C22_7 C23_7 C28_7 1.6(16) . . . . ?
C28_7 C23_7 C24_7 C25_7 -1.2(16) . . . . ?
C22_7 C23_7 C24_7 C25_7 178.1(14) . . . . ?
C23_7 C24_7 C25_7 C26_7 2.7(18) . . . . ?
C24_7 C25_7 C26_7 C27_7 179.3(14) . . . . ?
C24_7 C25_7 C26_7 C29_7 -1.3(16) . . . . ?
C15_7 C14_7 C27_7 C26_7 0.5(16) . . . . ?
N1_7 C14_7 C27_7 C26_7 -179.9(13) . . . . ?
C29_7 C26_7 C27_7 C14_7 -0.8(16) . . . . ?
C25_7 C26_7 C27_7 C14_7 178.6(14) . . . . ?
C20_7 C19_7 C28_7 C23_7 1.0(13) . . . . ?
C18_7 C19_7 C28_7 C23_7 179.4(13) . . . . ?
C20_7 C19_7 C28_7 C29_7 -179.9(12) . . . . ?
C18_7 C19_7 C28_7 C29_7 -1.6(13) . . . . ?
C24_7 C23_7 C28_7 C19_7 177.4(12) . . . . ?
C22_7 C23_7 C28_7 C19_7 -2.0(13) . . . . ?
C24_7 C23_7 C28_7 C29_7 -1.7(13) . . . . ?
C22_7 C23_7 C28_7 C29_7 179.0(12) . . . . ?
C27_7 C26_7 C29_7 C28_7 177.9(12) . . . . ?
C25_7 C26_7 C29_7 C28_7 -1.6(13) . . . . ?
C27_7 C26_7 C29_7 C16_7 0.5(13) . . . . ?
C25_7 C26_7 C29_7 C16_7 -178.9(12) . . . . ?
C19_7 C28_7 C29_7 C26_7 -176.0(11) . . . . ?
C23_7 C28_7 C29_7 C26_7 3.0(12) . . . . ?
C19_7 C28_7 C29_7 C16_7 1.3(12) . . . . ?
C23_7 C28_7 C29_7 C16_7 -179.6(11) . . . . ?
C15_7 C16_7 C29_7 C26_7 0.0(13) . . . . ?
C17_7 C16_7 C29_7 C26_7 177.4(12) . . . . ?
C15_7 C16_7 C29_7 C28_7 -177.3(12) . . . . ?
C17_7 C16_7 C29_7 C28_7 0.1(13) . . . . ?
C37_7 C32_7 C33_7 C34_7 2.2(17) . . . . ?
C31_7 C32_7 C33_7 C34_7 -174.8(17) . . . . ?
C32_7 C33_7 C34_7 C35_7 0.8(19) . . . . ?
C33_7 C34_7 C35_7 N36_7 -3(2) . . . . ?
C34_7 C35_7 N36_7 C37_7 2(2) . . . . ?
C34_7 C35_7 N36_7 Pd3_6 -179.6(14) . . . . ?
C35_7 N36_7 C37_7 C32_7 1(2) . . . . ?
Pd3_6 N36_7 C37_7 C32_7 -177.0(12) . . . . ?
C33_7 C32_7 C37_7 N36_7 -3.4(17) . . . . ?
C31_7 C32_7 C37_7 N36_7 173.5(16) . . . . ?
C38_7 C39_7 C40_7 C41_7 176(9) . . . . ?
C38_7 C39_7 C40_7 C45_7 -2(10) . . . . ?
C45_7 C40_7 C41_7 C42_7 1.7(17) . . . . ?
C39_7 C40_7 C41_7 C42_7 -176.3(17) . . . . ?
C40_7 C41_7 C42_7 C43_7 0.3(18) . . . . ?
C41_7 C42_7 C43_7 N44_7 -2(2) . . . . ?
C42_7 C43_7 N44_7 C45_7 1(2) . . . . ?
C42_7 C43_7 N44_7 Pd4_6 -169.4(14) . . . . ?
C43_7 N44_7 C45_7 C40_7 1.0(19) . . . . ?
Pd4_6 N44_7 C45_7 C40_7 171.7(12) . . . . ?
C41_7 C40_7 C45_7 N44_7 -2.4(18) . . . . ?
C39_7 C40_7 C45_7 N44_7 175.6(16) . . . . ?
C13_8 N1_8 C2_8 C3_8 -175.3(16) . . . . ?
C14_8 N1_8 C2_8 C3_8 6(2) . . . . ?
C13_8 N1_8 C2_8 C7_8 -0.2(11) . . . . ?
C14_8 N1_8 C2_8 C7_8 -179.0(16) . . . . ?
N1_8 C2_8 C3_8 C4_8 172.4(17) . . . . ?
C7_8 C2_8 C3_8 C4_8 -2.2(17) . . . . ?
C2_8 C3_8 C4_8 C5_8 1.2(19) . . . . ?
C3_8 C4_8 C5_8 C6_8 1.5(17) . . . . ?
C3_8 C4_8 C5_8 C30_8 -174.9(17) . . . . ?
C4_8 C5_8 C6_8 C7_8 -3.0(16) . . . . ?
C30_8 C5_8 C6_8 C7_8 173.4(15) . . . . ?
C5_8 C6_8 C7_8 C2_8 2.0(16) . . . . ?
C5_8 C6_8 C7_8 C8_8 -171.6(15) . . . . ?
C3_8 C2_8 C7_8 C6_8 0.6(15) . . . . ?
N1_8 C2_8 C7_8 C6_8 -175.1(14) . . . . ?
C3_8 C2_8 C7_8 C8_8 175.7(14) . . . . ?
N1_8 C2_8 C7_8 C8_8 0.0(11) . . . . ?
C6_8 C7_8 C8_8 C9_8 -5(2) . . . . ?
C2_8 C7_8 C8_8 C9_8 -179.2(16) . . . . ?
C6_8 C7_8 C8_8 C13_8 174.5(16) . . . . ?
C2_8 C7_8 C8_8 C13_8 0.2(11) . . . . ?
C13_8 C8_8 C9_8 C10_8 0.8(17) . . . . ?
C7_8 C8_8 C9_8 C10_8 -179.8(17) . . . . ?
C8_8 C9_8 C10_8 C11_8 0.1(17) . . . . ?
C8_8 C9_8 C10_8 C38_8 -178.3(18) . . . . ?
C9_8 C10_8 C11_8 C12_8 -0.8(18) . . . . ?
C38_8 C10_8 C11_8 C12_8 177(2) . . . . ?
C10_8 C11_8 C12_8 C13_8 1(2) . . . . ?
C11_8 C12_8 C13_8 N1_8 -180.0(18) . . . . ?
C11_8 C12_8 C13_8 C8_8 0.3(18) . . . . ?
C2_8 N1_8 C13_8 C12_8 -179.4(16) . . . . ?
C14_8 N1_8 C13_8 C12_8 0(2) . . . . ?
C2_8 N1_8 C13_8 C8_8 0.4(12) . . . . ?
C14_8 N1_8 C13_8 C8_8 179.3(15) . . . . ?
C9_8 C8_8 C13_8 C12_8 -1.0(16) . . . . ?
C7_8 C8_8 C13_8 C12_8 179.4(15) . . . . ?
C9_8 C8_8 C13_8 N1_8 179.2(15) . . . . ?
C7_8 C8_8 C13_8 N1_8 -0.4(11) . . . . ?
C13_8 N1_8 C14_8 C27_8 -120.3(16) . . . . ?
C2_8 N1_8 C14_8 C27_8 58(2) . . . . ?
C13_8 N1_8 C14_8 C15_8 55.8(19) . . . . ?
C2_8 N1_8 C14_8 C15_8 -125.5(18) . . . . ?
C27_8 C14_8 C15_8 C16_8 -0.2(17) . . . . ?
N1_8 C14_8 C15_8 C16_8 -176.3(17) . . . . ?
C14_8 C15_8 C16_8 C17_8 -177.9(18) . . . . ?
C14_8 C15_8 C16_8 C29_8 0.1(18) . . . . ?
C15_8 C16_8 C17_8 C18_8 -179.7(18) . . . . ?
C29_8 C16_8 C17_8 C18_8 2.3(18) . . . . ?
C16_8 C17_8 C18_8 C19_8 -2(2) . . . . ?
C17_8 C18_8 C19_8 C20_8 179.4(19) . . . . ?
C17_8 C18_8 C19_8 C28_8 -1.3(18) . . . . ?
C28_8 C19_8 C20_8 C21_8 -4.2(19) . . . . ?
C18_8 C19_8 C20_8 C21_8 175(2) . . . . ?
C19_8 C20_8 C21_8 C22_8 2(2) . . . . ?
C20_8 C21_8 C22_8 C23_8 2(2) . . . . ?
C21_8 C22_8 C23_8 C28_8 -2.0(19) . . . . ?
C21_8 C22_8 C23_8 C24_8 176.0(19) . . . . ?
C28_8 C23_8 C24_8 C25_8 0.1(18) . . . . ?
C22_8 C23_8 C24_8 C25_8 -177.9(18) . . . . ?
C23_8 C24_8 C25_8 C26_8 -2(2) . . . . ?
C24_8 C25_8 C26_8 C29_8 1.5(18) . . . . ?
C24_8 C25_8 C26_8 C27_8 -175.6(17) . . . . ?
C15_8 C14_8 C27_8 C26_8 0.0(18) . . . . ?
N1_8 C14_8 C27_8 C26_8 176.3(17) . . . . ?
C25_8 C26_8 C27_8 C14_8 177.6(17) . . . . ?
C29_8 C26_8 C27_8 C14_8 0.4(18) . . . . ?
C20_8 C19_8 C28_8 C23_8 3.5(15) . . . . ?
C18_8 C19_8 C28_8 C23_8 -175.9(16) . . . . ?
C20_8 C19_8 C28_8 C29_8 -176.7(15) . . . . ?
C18_8 C19_8 C28_8 C29_8 3.9(15) . . . . ?
C22_8 C23_8 C28_8 C19_8 -0.6(16) . . . . ?
C24_8 C23_8 C28_8 C19_8 -178.6(16) . . . . ?
C22_8 C23_8 C28_8 C29_8 179.7(16) . . . . ?
C24_8 C23_8 C28_8 C29_8 1.6(15) . . . . ?
C25_8 C26_8 C29_8 C28_8 0.1(15) . . . . ?
C27_8 C26_8 C29_8 C28_8 177.4(14) . . . . ?
C25_8 C26_8 C29_8 C16_8 -177.8(16) . . . . ?
C27_8 C26_8 C29_8 C16_8 -0.5(15) . . . . ?
C19_8 C28_8 C29_8 C26_8 178.6(14) . . . . ?
C23_8 C28_8 C29_8 C26_8 -1.7(14) . . . . ?
C19_8 C28_8 C29_8 C16_8 -3.5(14) . . . . ?
C23_8 C28_8 C29_8 C16_8 176.2(14) . . . . ?
C15_8 C16_8 C29_8 C26_8 0.3(15) . . . . ?
C17_8 C16_8 C29_8 C26_8 178.3(16) . . . . ?
C15_8 C16_8 C29_8 C28_8 -177.6(15) . . . . ?
C17_8 C16_8 C29_8 C28_8 0.5(15) . . . . ?
C37_8 C32_8 C33_8 C34_8 1.4(16) . . . . ?
C31_8 C32_8 C33_8 C34_8 -177.9(15) . . . . ?
C32_8 C33_8 C34_8 C35_8 -1.5(18) . . . . ?
C33_8 C34_8 C35_8 N36_8 0.2(19) . . . . ?
C34_8 C35_8 N36_8 C37_8 1.2(19) . . . . ?
C34_8 C35_8 N36_8 Pd3_6 -177.4(12) . . . . ?
C35_8 N36_8 C37_8 C32_8 -1(2) . . . . ?
Pd3_6 N36_8 C37_8 C32_8 177.3(11) . . . . ?
C33_8 C32_8 C37_8 N36_8 0.0(17) . . . . ?
C31_8 C32_8 C37_8 N36_8 179.3(16) . . . . ?
C38_8 C39_8 C40_8 C41_8 162(9) . . . . ?
C38_8 C39_8 C40_8 C45_8 -14(10) . . . . ?
C45_8 C40_8 C41_8 C42_8 1.6(17) . . . . ?
C39_8 C40_8 C41_8 C42_8 -174.1(19) . . . . ?
C40_8 C41_8 C42_8 C43_8 -1(2) . . . . ?
C41_8 C42_8 C43_8 N44_8 0(2) . . . . ?
C42_8 C43_8 N44_8 C45_8 0(2) . . . . ?
C42_8 C43_8 N44_8 Pd4_6 -175.5(14) . . . . ?
C43_8 N44_8 C45_8 C40_8 1(2) . . . . ?
Pd4_6 N44_8 C45_8 C40_8 176.7(13) . . . . ?
C41_8 C40_8 C45_8 N44_8 -2.1(19) . . . . ?
C39_8 C40_8 C45_8 N44_8 173.6(19) . . . . ?
C13_9 N1_9 C2_9 C3_9 179.5(16) . . . . ?
C14_9 N1_9 C2_9 C3_9 -4(2) . . . . ?
C13_9 N1_9 C2_9 C7_9 -1.2(12) . . . . ?
C14_9 N1_9 C2_9 C7_9 174.8(16) . . . . ?
N1_9 C2_9 C3_9 C4_9 179.3(17) . . . . ?
C7_9 C2_9 C3_9 C4_9 0.1(18) . . . . ?
C2_9 C3_9 C4_9 C5_9 0(2) . . . . ?
C3_9 C4_9 C5_9 C6_9 -1.2(18) . . . . ?
C3_9 C4_9 C5_9 C30_9 177.7(19) . . . . ?
C4_9 C5_9 C6_9 C7_9 2.2(17) . . . . ?
C30_9 C5_9 C6_9 C7_9 -176.7(17) . . . . ?
C5_9 C6_9 C7_9 C2_9 -2.0(16) . . . . ?
C5_9 C6_9 C7_9 C8_9 179.5(16) . . . . ?
N1_9 C2_9 C7_9 C6_9 -178.5(14) . . . . ?
C3_9 C2_9 C7_9 C6_9 0.9(15) . . . . ?
N1_9 C2_9 C7_9 C8_9 0.4(11) . . . . ?
C3_9 C2_9 C7_9 C8_9 179.8(14) . . . . ?
C6_9 C7_9 C8_9 C9_9 -2(2) . . . . ?
C2_9 C7_9 C8_9 C9_9 179.6(15) . . . . ?
C6_9 C7_9 C8_9 C13_9 179.2(15) . . . . ?
C2_9 C7_9 C8_9 C13_9 0.6(10) . . . . ?
C13_9 C8_9 C9_9 C10_9 0.9(15) . . . . ?
C7_9 C8_9 C9_9 C10_9 -178.0(15) . . . . ?
C8_9 C9_9 C10_9 C11_9 -0.4(16) . . . . ?
C8_9 C9_9 C10_9 C38_9 -178.2(14) . . . . ?
C9_9 C10_9 C11_9 C12_9 0.0(17) . . . . ?
C38_9 C10_9 C11_9 C12_9 177.8(15) . . . . ?
C10_9 C11_9 C12_9 C13_9 -0.1(18) . . . . ?
C11_9 C12_9 C13_9 N1_9 179.9(15) . . . . ?
C11_9 C12_9 C13_9 C8_9 0.6(16) . . . . ?
C2_9 N1_9 C13_9 C12_9 -177.9(15) . . . . ?
C14_9 N1_9 C13_9 C12_9 6(2) . . . . ?
C2_9 N1_9 C13_9 C8_9 1.5(11) . . . . ?
C14_9 N1_9 C13_9 C8_9 -174.7(14) . . . . ?
C9_9 C8_9 C13_9 C12_9 -1.0(14) . . . . ?
C7_9 C8_9 C13_9 C12_9 178.2(14) . . . . ?
C9_9 C8_9 C13_9 N1_9 179.5(13) . . . . ?
C7_9 C8_9 C13_9 N1_9 -1.3(10) . . . . ?
C2_9 N1_9 C14_9 C27_9 64.9(19) . . . . ?
C13_9 N1_9 C14_9 C27_9 -119.6(16) . . . . ?
C2_9 N1_9 C14_9 C15_9 -118.8(17) . . . . ?
C13_9 N1_9 C14_9 C15_9 56.7(19) . . . . ?
C27_9 C14_9 C15_9 C16_9 0.9(18) . . . . ?
N1_9 C14_9 C15_9 C16_9 -175.4(15) . . . . ?
C14_9 C15_9 C16_9 C29_9 0.1(18) . . . . ?
C14_9 C15_9 C16_9 C17_9 177.1(17) . . . . ?
C15_9 C16_9 C17_9 C18_9 -176.6(17) . . . . ?
C29_9 C16_9 C17_9 C18_9 0.3(18) . . . . ?
C16_9 C17_9 C18_9 C19_9 0(2) . . . . ?
C17_9 C18_9 C19_9 C28_9 -0.7(18) . . . . ?
C17_9 C18_9 C19_9 C20_9 179.5(17) . . . . ?
C28_9 C19_9 C20_9 C21_9 -1.5(19) . . . . ?
C18_9 C19_9 C20_9 C21_9 178.3(19) . . . . ?
C19_9 C20_9 C21_9 C22_9 1(2) . . . . ?
C20_9 C21_9 C22_9 C23_9 1(2) . . . . ?
C21_9 C22_9 C23_9 C28_9 -1.7(19) . . . . ?
C21_9 C22_9 C23_9 C24_9 178.0(19) . . . . ?
C28_9 C23_9 C24_9 C25_9 0.4(18) . . . . ?
C22_9 C23_9 C24_9 C25_9 -179.3(17) . . . . ?
C23_9 C24_9 C25_9 C26_9 -1(2) . . . . ?
C24_9 C25_9 C26_9 C29_9 -0.1(18) . . . . ?
C24_9 C25_9 C26_9 C27_9 178.6(17) . . . . ?
C15_9 C14_9 C27_9 C26_9 -0.9(17) . . . . ?
N1_9 C14_9 C27_9 C26_9 175.4(15) . . . . ?
C29_9 C26_9 C27_9 C14_9 -0.1(17) . . . . ?
C25_9 C26_9 C27_9 C14_9 -178.8(17) . . . . ?
C24_9 C23_9 C28_9 C19_9 -178.5(16) . . . . ?
C22_9 C23_9 C28_9 C19_9 1.1(15) . . . . ?
C24_9 C23_9 C28_9 C29_9 1.1(15) . . . . ?
C22_9 C23_9 C28_9 C29_9 -179.2(14) . . . . ?
C20_9 C19_9 C28_9 C23_9 0.4(15) . . . . ?
C18_9 C19_9 C28_9 C23_9 -179.4(16) . . . . ?
C20_9 C19_9 C28_9 C29_9 -179.2(14) . . . . ?
C18_9 C19_9 C28_9 C29_9 1.0(15) . . . . ?
C15_9 C16_9 C29_9 C26_9 -1.1(15) . . . . ?
C17_9 C16_9 C29_9 C26_9 -178.2(15) . . . . ?
C15_9 C16_9 C29_9 C28_9 177.1(14) . . . . ?
C17_9 C16_9 C29_9 C28_9 0.0(15) . . . . ?
C25_9 C26_9 C29_9 C16_9 179.8(15) . . . . ?
C27_9 C26_9 C29_9 C16_9 1.1(15) . . . . ?
C25_9 C26_9 C29_9 C28_9 1.6(15) . . . . ?
C27_9 C26_9 C29_9 C28_9 -177.1(14) . . . . ?
C23_9 C28_9 C29_9 C16_9 179.7(13) . . . . ?
C19_9 C28_9 C29_9 C16_9 -0.7(14) . . . . ?
C23_9 C28_9 C29_9 C26_9 -2.1(14) . . . . ?
C19_9 C28_9 C29_9 C26_9 177.5(13) . . . . ?
C37_9 C32_9 C33_9 C34_9 1.2(18) . . . . ?
C31_9 C32_9 C33_9 C34_9 -176(2) . . . . ?
C32_9 C33_9 C34_9 C35_9 -1(2) . . . . ?
C33_9 C34_9 C35_9 N36_9 1(2) . . . . ?
C34_9 C35_9 N36_9 C37_9 -1(2) . . . . ?
C34_9 C35_9 N36_9 Pd3_6 171.4(16) . . . . ?
C35_9 N36_9 C37_9 C32_9 1(2) . . . . ?
Pd3_6 N36_9 C37_9 C32_9 -171.5(15) . . . . ?
C33_9 C32_9 C37_9 N36_9 -0.9(19) . . . . ?
C31_9 C32_9 C37_9 N36_9 177(2) . . . . ?
C45_9 C40_9 C41_9 C42_9 0.8(16) . . . . ?
C39_9 C40_9 C41_9 C42_9 -177.6(15) . . . . ?
C40_9 C41_9 C42_9 C43_9 0.2(18) . . . . ?
C41_9 C42_9 C43_9 N44_9 0(2) . . . . ?
C42_9 C43_9 N44_9 C45_9 -1(2) . . . . ?
C42_9 C43_9 N44_9 Pd4_6 170.7(13) . . . . ?
C43_9 N44_9 C45_9 C40_9 1.7(19) . . . . ?
Pd4_6 N44_9 C45_9 C40_9 -170.0(12) . . . . ?
C41_9 C40_9 C45_9 N44_9 -1.8(17) . . . . ?
C39_9 C40_9 C45_9 N44_9 176.5(16) . . . . ?
C13_10 N1_10 C2_10 C3_10 179.4(14) . . . . ?
C14_10 N1_10 C2_10 C3_10 8(2) . . . . ?
C13_10 N1_10 C2_10 C7_10 -0.2(11) . . . . ?
C14_10 N1_10 C2_10 C7_10 -171.7(13) . . . . ?
N1_10 C2_10 C3_10 C4_10 179.6(15) . . . . ?
C7_10 C2_10 C3_10 C4_10 -0.9(16) . . . . ?
C2_10 C3_10 C4_10 C5_10 0.0(18) . . . . ?
C3_10 C4_10 C5_10 C6_10 0.7(17) . . . . ?
C3_10 C4_10 C5_10 C30_10 179.1(16) . . . . ?
C4_10 C5_10 C6_10 C7_10 -0.6(16) . . . . ?
C30_10 C5_10 C6_10 C7_10 -179.0(15) . . . . ?
C5_10 C6_10 C7_10 C2_10 -0.2(15) . . . . ?
C5_10 C6_10 C7_10 C8_10 -179.8(15) . . . . ?
C3_10 C2_10 C7_10 C6_10 1.0(14) . . . . ?
N1_10 C2_10 C7_10 C6_10 -179.4(13) . . . . ?
C3_10 C2_10 C7_10 C8_10 -179.3(13) . . . . ?
N1_10 C2_10 C7_10 C8_10 0.3(10) . . . . ?
C6_10 C7_10 C8_10 C9_10 -3(2) . . . . ?
C2_10 C7_10 C8_10 C9_10 177.0(14) . . . . ?
C6_10 C7_10 C8_10 C13_10 179.4(14) . . . . ?
C2_10 C7_10 C8_10 C13_10 -0.3(10) . . . . ?
C13_10 C8_10 C9_10 C10_10 1.1(15) . . . . ?
C7_10 C8_10 C9_10 C10_10 -175.9(15) . . . . ?
C8_10 C9_10 C10_10 C11_10 -2.5(16) . . . . ?
C8_10 C9_10 C10_10 C38_10 174.6(15) . . . . ?
C9_10 C10_10 C11_10 C12_10 2.2(17) . . . . ?
C38_10 C10_10 C11_10 C12_10 -175.0(16) . . . . ?
C10_10 C11_10 C12_10 C13_10 -0.4(18) . . . . ?
C2_10 N1_10 C13_10 C12_10 -178.0(14) . . . . ?
C14_10 N1_10 C13_10 C12_10 -6.2(19) . . . . ?
C2_10 N1_10 C13_10 C8_10 0.1(11) . . . . ?
C14_10 N1_10 C13_10 C8_10 171.9(13) . . . . ?
C11_10 C12_10 C13_10 N1_10 176.9(15) . . . . ?
C11_10 C12_10 C13_10 C8_10 -1.0(16) . . . . ?
C9_10 C8_10 C13_10 N1_10 -177.6(13) . . . . ?
C7_10 C8_10 C13_10 N1_10 0.1(10) . . . . ?
C9_10 C8_10 C13_10 C12_10 0.6(14) . . . . ?
C7_10 C8_10 C13_10 C12_10 178.4(13) . . . . ?
C2_10 N1_10 C14_10 C15_10 -132.2(14) . . . . ?
C13_10 N1_10 C14_10 C15_10 57.5(17) . . . . ?
C2_10 N1_10 C14_10 C27_10 53.1(17) . . . . ?
C13_10 N1_10 C14_10 C27_10 -117.2(14) . . . . ?
C27_10 C14_10 C15_10 C16_10 2.6(16) . . . . ?
N1_10 C14_10 C15_10 C16_10 -171.8(13) . . . . ?
C14_10 C15_10 C16_10 C29_10 -1.0(15) . . . . ?
C14_10 C15_10 C16_10 C17_10 176.1(13) . . . . ?
C29_10 C16_10 C17_10 C18_10 0.1(16) . . . . ?
C15_10 C16_10 C17_10 C18_10 -177.0(14) . . . . ?
C16_10 C17_10 C18_10 C19_10 0.4(18) . . . . ?
C17_10 C18_10 C19_10 C20_10 179.0(14) . . . . ?
C17_10 C18_10 C19_10 C28_10 -1.0(16) . . . . ?
C28_10 C19_10 C20_10 C21_10 0.4(16) . . . . ?
C18_10 C19_10 C20_10 C21_10 -179.6(15) . . . . ?
C19_10 C20_10 C21_10 C22_10 -1.8(19) . . . . ?
C20_10 C21_10 C22_10 C23_10 1.8(19) . . . . ?
C21_10 C22_10 C23_10 C24_10 -179.7(14) . . . . ?
C21_10 C22_10 C23_10 C28_10 -0.4(16) . . . . ?
C22_10 C23_10 C24_10 C25_10 -177.4(13) . . . . ?
C28_10 C23_10 C24_10 C25_10 3.3(15) . . . . ?
C23_10 C24_10 C25_10 C26_10 -1.4(17) . . . . ?
C24_10 C25_10 C26_10 C29_10 -2.2(16) . . . . ?
C24_10 C25_10 C26_10 C27_10 177.9(13) . . . . ?
C15_10 C14_10 C27_10 C26_10 -1.7(16) . . . . ?
N1_10 C14_10 C27_10 C26_10 172.9(12) . . . . ?
C29_10 C26_10 C27_10 C14_10 -0.7(15) . . . . ?
C25_10 C26_10 C27_10 C14_10 179.2(13) . . . . ?
C20_10 C19_10 C28_10 C29_10 -179.0(12) . . . . ?
C18_10 C19_10 C28_10 C29_10 1.0(13) . . . . ?
C20_10 C19_10 C28_10 C23_10 1.0(13) . . . . ?
C18_10 C19_10 C28_10 C23_10 -179.0(12) . . . . ?
C22_10 C23_10 C28_10 C19_10 -1.0(13) . . . . ?
C24_10 C23_10 C28_10 C19_10 178.4(12) . . . . ?
C22_10 C23_10 C28_10 C29_10 179.0(11) . . . . ?
C24_10 C23_10 C28_10 C29_10 -1.6(13) . . . . ?
C17_10 C16_10 C29_10 C26_10 -178.7(12) . . . . ?
C15_10 C16_10 C29_10 C26_10 -1.4(13) . . . . ?
C17_10 C16_10 C29_10 C28_10 -0.1(13) . . . . ?
C15_10 C16_10 C29_10 C28_10 177.1(11) . . . . ?
C27_10 C26_10 C29_10 C16_10 2.3(13) . . . . ?
C25_10 C26_10 C29_10 C16_10 -177.7(12) . . . . ?
C27_10 C26_10 C29_10 C28_10 -176.3(11) . . . . ?
C25_10 C26_10 C29_10 C28_10 3.8(13) . . . . ?
C19_10 C28_10 C29_10 C16_10 -0.5(12) . . . . ?
C23_10 C28_10 C29_10 C16_10 179.5(10) . . . . ?
C19_10 C28_10 C29_10 C26_10 178.1(10) . . . . ?
C23_10 C28_10 C29_10 C26_10 -1.9(12) . . . . ?
C37_10 C32_10 C33_10 C34_10 0.8(17) . . . . ?
C31_10 C32_10 C33_10 C34_10 -178.9(16) . . . . ?
C32_10 C33_10 C34_10 C35_10 -1.0(18) . . . . ?
C33_10 C34_10 C35_10 N36_10 1(2) . . . . ?
C34_10 C35_10 N36_10 C37_10 0(2) . . . . ?
C34_10 C35_10 N36_10 Pd3_6 170.4(14) . . . . ?
C35_10 N36_10 C37_10 C32_10 0(2) . . . . ?
Pd3_6 N36_10 C37_10 C32_10 -171.1(12) . . . . ?
C33_10 C32_10 C37_10 N36_10 -0.3(18) . . . . ?
C31_10 C32_10 C37_10 N36_10 179.4(17) . . . . ?
C9_10 C10_10 C38_10 C39_10 -174(10) . . . . ?
C11_10 C10_10 C38_10 C39_10 4(11) . . . . ?
C10_10 C38_10 C39_10 C40_10 -132(11) . . . . ?
C38_10 C39_10 C40_10 C41_10 167(10) . . . . ?
C38_10 C39_10 C40_10 C45_10 -11(10) . . . . ?
C45_10 C40_10 C41_10 C42_10 1.0(17) . . . . ?
C39_10 C40_10 C41_10 C42_10 -177.1(16) . . . . ?
C40_10 C41_10 C42_10 C43_10 -0.7(18) . . . . ?
C41_10 C42_10 C43_10 N44_10 0(2) . . . . ?
C42_10 C43_10 N44_10 C45_10 0(2) . . . . ?
C42_10 C43_10 N44_10 Pd4_6 166.6(13) . . . . ?
C43_10 N44_10 C45_10 C40_10 0.4(19) . . . . ?
Pd4_6 N44_10 C45_10 C40_10 -166.3(12) . . . . ?
C41_10 C40_10 C45_10 N44_10 -0.9(18) . . . . ?
C39_10 C40_10 C45_10 N44_10 177.3(17) . . . . ?
F5_11 B1_11 F4_11 Pd2_1 -31(6) . . . . ?
F2_11 B1_11 F4_11 Pd2_1 -154(3) . . . . ?
F3_11 B1_11 F4_11 Pd2_1 93(5) . . . . ?
N44_5 Pd2_1 F4_11 B1_11 40(4) . . . . ?
N44_2 Pd2_1 F4_11 B1_11 -52(4) . . . . ?
N44_3 Pd2_1 F4_11 B1_11 -141(4) . . . . ?
N44_4 Pd2_1 F4_11 B1_11 129(4) . . . . ?

_chemical_properties_physical    Air-sensitive
