# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_iid128_3_in_P-1
_database_code_depnum_ccdc_archive 'CCDC 2338608'
loop_
_audit_author_name
_audit_author_address
'Junpei Kuwabara'
;University of Tsukuba
Japan
;
_audit_update_record             
;
2024-03-08 deposited with the CCDC.	2024-06-28 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C66 H69 F15 N6 Pd3'
_chemical_formula_moiety         'C66 H69 F15 N6 Pd3'
_chemical_formula_weight         1550.49
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.6657(12)
_cell_length_b                   15.3472(17)
_cell_length_c                   20.4601(20)
_cell_angle_alpha                79.1470(10)
_cell_angle_beta                 88.9540(10)
_cell_angle_gamma                76.4020(10)
_cell_volume                     3195.8(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9904
_cell_measurement_theta_min      9904
_cell_measurement_theta_max      27.20
_cell_measurement_temperature    90
#------------------------------------------------------------------------------
_exptl_crystal_description       nONE
_exptl_crystal_colour            nONE
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1560.00
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6782
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      90
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36797
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_theta_max         27.197
_diffrn_reflns_theta_min         1.014
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             14132
_reflns_number_gt                13554
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1036
_refine_ls_wR_factor_gt          0.1030
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         14132
_refine_ls_number_parameters     844
_refine_ls_goodness_of_fit_ref   1.338
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+12.1233P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.61
_refine_diff_density_min         -1.29
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.35497(3) 0.56614(2) 0.22851(2) 0.01665(7) Uani 1 1 d . . . . .
Pd2 Pd 0.11900(3) 0.80239(2) -0.11070(2) 0.01735(7) Uani 1 1 d . . . . .
Pd3 Pd 0.68651(10) 0.81859(7) 0.44366(6) 0.01850(18) Uani 0.6 1 d . . P . .
Pd4 Pd 0.71856(15) 0.79248(10) 0.43681(8) 0.0198(3) Uani 0.4 1 d . . P . .
F1 F 0.0844(3) 0.5155(2) 0.22819(14) 0.0439(7) Uani 1 1 d . . . . .
F2 F -0.1011(3) 0.5162(3) 0.31806(18) 0.0565(9) Uani 1 1 d . . . . .
F3 F -0.0667(3) 0.5574(2) 0.43911(15) 0.0480(8) Uani 1 1 d . . . . .
F4 F 0.1598(3) 0.5959(2) 0.46934(13) 0.0433(7) Uani 1 1 d . . . . .
F5 F 0.3455(2) 0.5969(2) 0.38014(13) 0.0342(6) Uani 1 1 d . . . . .
F6 F -0.0844(2) 0.80760(18) 0.00315(14) 0.0335(6) Uani 1 1 d . . . . .
F7 F -0.1460(3) 0.6767(2) 0.09469(15) 0.0515(9) Uani 1 1 d . . . . .
F8 F -0.0086(4) 0.5010(2) 0.10774(14) 0.0572(10) Uani 1 1 d . . . . .
F9 F 0.1994(3) 0.45898(18) 0.03026(17) 0.0520(9) Uani 1 1 d . . . . .
F10 F 0.2630(3) 0.58827(18) -0.06181(15) 0.0380(6) Uani 1 1 d . . . . .
F11 F 0.7046(3) 1.0082(3) 0.46307(18) 0.0602(9) Uani 1 1 d . . . . .
F12 F 0.8906(4) 1.1006(2) 0.44848(19) 0.0662(11) Uani 1 1 d . . . . .
F13 F 1.1189(4) 1.0308(3) 0.39664(19) 0.0717(12) Uani 1 1 d . . . . .
F14 F 1.1622(3) 0.8650(3) 0.36291(18) 0.0662(11) Uani 1 1 d . . . . .
F15 F 0.9822(4) 0.7676(3) 0.38241(18) 0.0629(10) Uani 1 1 d . . . . .
N1 N 0.4876(3) 0.5810(2) 0.14887(17) 0.0223(7) Uani 1 1 d . . . . .
N2 N 0.2760(4) 0.7114(2) 0.19264(18) 0.0284(8) Uani 1 1 d . . . . .
N3 N 0.1334(4) 0.9120(3) -0.19130(18) 0.0289(8) Uani 1 1 d . . . . .
N4 N 0.0205(3) 0.7565(3) -0.18696(18) 0.0271(8) Uani 1 1 d . . . . .
N5 N 0.5665(4) 0.7205(3) 0.46087(19) 0.0353(9) Uani 1 1 d . . . . .
N6 N 0.7650(3) 0.7493(2) 0.54298(16) 0.0228(7) Uani 1 1 d . . . . .
C1 C 0.4254(4) 0.4316(3) 0.25650(19) 0.0191(8) Uani 1 1 d . . . . .
C2 C 0.2244(4) 0.5559(3) 0.29966(19) 0.0198(8) Uani 1 1 d . . . . .
C3 C 0.3742(4) 0.3715(3) 0.2290(2) 0.0235(8) Uani 1 1 d . . . . .
H3 H 0.304426 0.394649 0.199070 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4241(4) 0.2761(3) 0.2448(2) 0.0265(9) Uani 1 1 d . . . . .
H4 H 0.386919 0.237965 0.225210 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5266(4) 0.2391(3) 0.2885(2) 0.0271(9) Uani 1 1 d . . . . .
H5 H 0.558738 0.176196 0.298643 0.033 Uiso 1 1 calc R U . . .
C6 C 0.5833(4) 0.2971(3) 0.3184(2) 0.0240(8) Uani 1 1 d . . . . .
C7 C 0.6889(4) 0.2613(3) 0.3645(2) 0.0309(10) Uani 1 1 d . . . . .
H7 H 0.722563 0.198498 0.374581 0.037 Uiso 1 1 calc R U . . .
C8 C 0.7419(4) 0.3165(3) 0.3942(2) 0.0341(10) Uani 1 1 d . . . . .
H8 H 0.810968 0.291477 0.424362 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6924(4) 0.4121(3) 0.3794(2) 0.0292(9) Uani 1 1 d . . . . .
H9 H 0.728918 0.449797 0.399903 0.035 Uiso 1 1 calc R U . . .
C10 C 0.5908(4) 0.4495(3) 0.3349(2) 0.0244(8) Uani 1 1 d . . . . .
H10 H 0.559312 0.512526 0.325593 0.029 Uiso 1 1 calc R U . . .
C11 C 0.5321(4) 0.3937(3) 0.30263(19) 0.0203(8) Uani 1 1 d . . . . .
C12 C 0.2366(4) 0.5750(3) 0.3622(2) 0.0225(8) Uani 1 1 d . . . . .
C13 C 0.1423(4) 0.5755(3) 0.4095(2) 0.0287(9) Uani 1 1 d . . . . .
C14 C 0.0284(4) 0.5560(3) 0.3947(2) 0.0319(10) Uani 1 1 d . . . . .
C15 C 0.0114(4) 0.5350(4) 0.3332(3) 0.0343(11) Uani 1 1 d . . . . .
C16 C 0.1086(4) 0.5349(3) 0.2878(2) 0.0273(9) Uani 1 1 d . . . . .
C17 C 0.4655(6) 0.6801(3) 0.1231(3) 0.0475(15) Uani 1 1 d . . . . .
H17A H 0.517552 0.705704 0.149261 0.057 Uiso 1 1 calc R U . . .
H17B H 0.493235 0.689988 0.077491 0.057 Uiso 1 1 calc R U . . .
C18 C 0.3293(6) 0.7280(4) 0.1255(3) 0.0535(17) Uani 1 1 d . . . . .
H18A H 0.278944 0.708235 0.094613 0.064 Uiso 1 1 calc R U . . .
H18B H 0.321303 0.793033 0.111010 0.064 Uiso 1 1 calc R U . . .
C19 C 0.6264(4) 0.5438(4) 0.1686(2) 0.0346(11) Uani 1 1 d . . . . .
H19A H 0.648243 0.572886 0.202958 0.042 Uiso 1 1 calc R U . . .
H19B H 0.641963 0.479215 0.184757 0.042 Uiso 1 1 calc R U . . .
H19C H 0.678557 0.555416 0.130629 0.042 Uiso 1 1 calc R U . . .
C20 C 0.4588(5) 0.5345(4) 0.0961(2) 0.0354(11) Uani 1 1 d . . . . .
H20A H 0.473401 0.470167 0.113284 0.042 Uiso 1 1 calc R U . . .
H20B H 0.370230 0.558277 0.081502 0.042 Uiso 1 1 calc R U . . .
H20C H 0.513874 0.544804 0.059286 0.042 Uiso 1 1 calc R U . . .
C21 C 0.3189(6) 0.7652(4) 0.2361(3) 0.0514(15) Uani 1 1 d . . . . .
H21A H 0.411319 0.747996 0.240751 0.062 Uiso 1 1 calc R U . . .
H21B H 0.291696 0.828918 0.216917 0.062 Uiso 1 1 calc R U . . .
H21C H 0.281876 0.753774 0.279067 0.062 Uiso 1 1 calc R U . . .
C22 C 0.1343(5) 0.7380(4) 0.1857(3) 0.0489(14) Uani 1 1 d . . . . .
H22A H 0.105728 0.702984 0.157272 0.059 Uiso 1 1 calc R U . . .
H22B H 0.097400 0.726678 0.228724 0.059 Uiso 1 1 calc R U . . .
H22C H 0.107220 0.801822 0.166574 0.059 Uiso 1 1 calc R U . . .
C23 C 0.2183(4) 0.8486(3) -0.04886(19) 0.0198(8) Uani 1 1 d . . . . .
C24 C 0.0917(4) 0.7045(3) -0.03435(19) 0.0184(7) Uani 1 1 d . . . . .
C25 C 0.1587(4) 0.9171(3) -0.0158(2) 0.0248(8) Uani 1 1 d . . . . .
H25 H 0.069049 0.933678 -0.015696 0.030 Uiso 1 1 calc R U . . .
C26 C 0.2297(5) 0.9627(3) 0.0179(2) 0.0298(10) Uani 1 1 d . . . . .
H26 H 0.186744 1.009148 0.039267 0.036 Uiso 1 1 calc R U . . .
C27 C 0.3622(5) 0.9386(3) 0.0193(2) 0.0285(9) Uani 1 1 d . . . . .
H27 H 0.408396 0.969977 0.040689 0.034 Uiso 1 1 calc R U . . .
C28 C 0.4285(4) 0.8675(3) -0.0113(2) 0.0231(8) Uani 1 1 d . . . . .
C29 C 0.5664(4) 0.8382(3) -0.0086(2) 0.0283(9) Uani 1 1 d . . . . .
H29 H 0.614185 0.867691 0.013521 0.034 Uiso 1 1 calc R U . . .
C30 C 0.6289(4) 0.7679(3) -0.0378(2) 0.0299(10) Uani 1 1 d . . . . .
H30 H 0.718561 0.750083 -0.035601 0.036 Uiso 1 1 calc R U . . .
C31 C 0.5583(4) 0.7222(3) -0.0713(2) 0.0258(9) Uani 1 1 d . . . . .
H31 H 0.601473 0.673998 -0.090901 0.031 Uiso 1 1 calc R U . . .
C32 C 0.4267(4) 0.7481(3) -0.0751(2) 0.0229(8) Uani 1 1 d . . . . .
H32 H 0.381634 0.717400 -0.097734 0.027 Uiso 1 1 calc R U . . .
C33 C 0.3565(4) 0.8210(3) -0.04526(19) 0.0198(8) Uani 1 1 d . . . . .
C34 C -0.0101(4) 0.7222(3) 0.0079(2) 0.0230(8) Uani 1 1 d . . . . .
C35 C -0.0442(5) 0.6558(3) 0.0558(2) 0.0312(10) Uani 1 1 d . . . . .
C36 C 0.0257(5) 0.5672(3) 0.0636(2) 0.0352(11) Uani 1 1 d . . . . .
C37 C 0.1303(5) 0.5455(3) 0.0234(2) 0.0327(11) Uani 1 1 d . . . . .
C38 C 0.1609(4) 0.6145(3) -0.0240(2) 0.0248(9) Uani 1 1 d . . . . .
C39 C 0.1091(5) 0.8785(3) -0.2525(2) 0.0356(11) Uani 1 1 d . . . . .
H39A H 0.185899 0.835067 -0.262179 0.043 Uiso 1 1 calc R U . . .
H39B H 0.091282 0.929460 -0.289867 0.043 Uiso 1 1 calc R U . . .
C40 C -0.0025(5) 0.8338(3) -0.2448(2) 0.0373(11) Uani 1 1 d . . . . .
H40A H -0.080654 0.878285 -0.238296 0.045 Uiso 1 1 calc R U . . .
H40B H -0.014466 0.811472 -0.284971 0.045 Uiso 1 1 calc R U . . .
C41 C 0.0341(5) 0.9942(3) -0.1845(3) 0.0438(13) Uani 1 1 d . . . . .
H41A H -0.048746 0.979589 -0.180059 0.053 Uiso 1 1 calc R U . . .
H41B H 0.053673 1.015956 -0.145814 0.053 Uiso 1 1 calc R U . . .
H41C H 0.032556 1.040698 -0.223351 0.053 Uiso 1 1 calc R U . . .
C42 C 0.2592(5) 0.9369(3) -0.1981(2) 0.0370(11) Uani 1 1 d . . . . .
H42A H 0.325617 0.884183 -0.202568 0.044 Uiso 1 1 calc R U . . .
H42B H 0.256269 0.983765 -0.236800 0.044 Uiso 1 1 calc R U . . .
H42C H 0.277386 0.959022 -0.159263 0.044 Uiso 1 1 calc R U . . .
C43 C -0.1034(5) 0.7335(4) -0.1663(3) 0.0393(12) Uani 1 1 d . . . . .
H43A H -0.160768 0.785492 -0.153642 0.047 Uiso 1 1 calc R U . . .
H43B H -0.141674 0.716659 -0.202741 0.047 Uiso 1 1 calc R U . . .
H43C H -0.088090 0.683311 -0.129179 0.047 Uiso 1 1 calc R U . . .
C44 C 0.1063(5) 0.6752(3) -0.2061(2) 0.0345(10) Uani 1 1 d . . . . .
H44A H 0.187369 0.688703 -0.219664 0.041 Uiso 1 1 calc R U . . .
H44B H 0.120417 0.625412 -0.168718 0.041 Uiso 1 1 calc R U . . .
H44C H 0.066834 0.658761 -0.242279 0.041 Uiso 1 1 calc R U . . .
C45 C 0.6003(7) 0.8874(5) 0.3575(3) 0.0235(14) Uani 0.6 1 d . . P . .
C46 C 0.8316(6) 0.8847(4) 0.4233(2) 0.0415(13) Uani 1 1 d . . . . .
C47 C 0.8171(5) 0.9684(4) 0.4384(3) 0.0439(13) Uani 1 1 d . . . . .
C48 C 0.9117(6) 1.0192(4) 0.4311(3) 0.0461(14) Uani 1 1 d . . . . .
C49 C 1.0265(6) 0.9824(4) 0.4052(3) 0.0467(15) Uani 1 1 d . . . . .
C50 C 1.0491(5) 0.8988(4) 0.3886(3) 0.0464(14) Uani 1 1 d . . . . .
C51 C 0.9527(5) 0.8510(4) 0.3976(3) 0.0420(13) Uani 1 1 d . . . . .
C52 C 0.5031(5) 0.9609(4) 0.3518(4) 0.064(2) Uani 1 1 d . . . . .
C53 C 0.4215(5) 1.0193(4) 0.3011(3) 0.0431(12) Uani 1 1 d . . . . .
C54 C 0.4538(9) 0.9896(7) 0.2408(5) 0.041(2) Uani 0.6 1 d . . P . .
C55 C 0.5617(5) 0.9067(4) 0.2347(2) 0.0371(11) Uani 1 1 d . . . . .
C56 C 0.5902(8) 0.8862(7) 0.1743(4) 0.040(2) Uani 0.6 1 d . . P . .
C57 C 0.6887(11) 0.8201(8) 0.1676(5) 0.053(3) Uani 0.6 1 d . . P . .
C58 C 0.7552(6) 0.7632(4) 0.2284(3) 0.0484(14) Uani 1 1 d . . . . .
C59 C 0.7302(8) 0.7867(6) 0.2876(4) 0.0224(15) Uani 0.6 1 d . . P . .
C60 C 0.6300(8) 0.8613(6) 0.2952(4) 0.0228(15) Uani 0.6 1 d . . P . .
C61 C 0.5732(5) 0.6887(4) 0.5338(2) 0.0361(11) Uani 1 1 d . . . . .
H61A H 0.540327 0.634059 0.544627 0.043 Uiso 1 1 calc R U . . .
H61B H 0.519241 0.735293 0.554826 0.043 Uiso 1 1 calc R U . . .
C62 C 0.7095(5) 0.6684(3) 0.5604(2) 0.0336(11) Uani 1 1 d . . . . .
H62A H 0.710725 0.649621 0.608422 0.040 Uiso 1 1 calc R U . . .
H62B H 0.761879 0.618350 0.542115 0.040 Uiso 1 1 calc R U . . .
C63 C 0.6056(6) 0.6444(5) 0.4262(3) 0.0559(17) Uani 1 1 d . . . . .
H63A H 0.600325 0.666989 0.379071 0.067 Uiso 1 1 calc R U . . .
H63B H 0.692714 0.612438 0.439283 0.067 Uiso 1 1 calc R U . . .
H63C H 0.549401 0.603595 0.437503 0.067 Uiso 1 1 calc R U . . .
C64 C 0.4304(6) 0.7657(4) 0.4409(3) 0.0570(17) Uani 1 1 d . . . . .
H64A H 0.401615 0.816502 0.463016 0.068 Uiso 1 1 calc R U . . .
H64B H 0.423931 0.787089 0.393576 0.068 Uiso 1 1 calc R U . . .
H64C H 0.377442 0.722874 0.453137 0.068 Uiso 1 1 calc R U . . .
C65 C 0.9058(4) 0.7206(4) 0.5540(2) 0.0379(11) Uani 1 1 d . . . . .
H65A H 0.942262 0.772927 0.542749 0.046 Uiso 1 1 calc R U . . .
H65B H 0.925392 0.693121 0.599931 0.046 Uiso 1 1 calc R U . . .
H65C H 0.941748 0.677194 0.526476 0.046 Uiso 1 1 calc R U . . .
C66 C 0.7114(5) 0.8160(4) 0.5859(2) 0.0398(12) Uani 1 1 d . . . . .
H66A H 0.619427 0.835209 0.579145 0.048 Uiso 1 1 calc R U . . .
H66B H 0.731565 0.788035 0.631702 0.048 Uiso 1 1 calc R U . . .
H66C H 0.748413 0.867990 0.574641 0.048 Uiso 1 1 calc R U . . .
C67 C 0.6876(11) 0.8146(8) 0.3378(6) 0.029(2) Uiso 0.4 1 d . . P . .
C68 C 0.7572(14) 0.7570(10) 0.3033(8) 0.029(4) Uiso 0.4 1 d . . P . .
C69 C 0.6445(15) 0.8354(10) 0.1971(8) 0.037(3) Uiso 0.4 1 d . . P . .
C70 C 0.5902(13) 0.8880(9) 0.3025(7) 0.024(3) Uiso 0.4 1 d . . P . .
C72 C 0.3954(15) 1.0341(11) 0.2275(7) 0.042(3) Uiso 0.4 1 d . . P . .
C73 C 0.4710(14) 0.9710(10) 0.1964(8) 0.046(3) Uiso 0.4 1 d . . P . .


#==============================================================================
_computing_data_collection       Unknown
_computing_cell_refinement       Unknown
_computing_data_reduction        Unknown
_computing_structure_solution    'SIR2014 (Burla, et al., 2014)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

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

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 1.998(4) . ?
Pd1 C2 2.007(4) . ?
Pd1 N1 2.153(3) . ?
Pd1 N2 2.178(3) . ?
Pd2 C23 1.992(4) . ?
Pd2 C24 2.022(4) . ?
Pd2 N3 2.154(3) . ?
Pd2 N4 2.204(4) . ?
Pd3 Pd4 0.5020(11) . ?
Pd3 C45 1.993(7) . ?
Pd3 C46 2.038(5) . ?
Pd3 N5 2.172(4) . ?
Pd3 C67 2.178(11) . ?
Pd3 N6 2.189(4) . ?
Pd4 C67 2.010(11) . ?
Pd4 C46 2.043(5) . ?
Pd4 C45 2.160(7) . ?
Pd4 N5 2.168(4) . ?
Pd4 N6 2.178(4) . ?
F1 C16 1.352(5) . ?
F2 C15 1.353(5) . ?
F3 C14 1.348(5) . ?
F4 C13 1.347(5) . ?
F5 C12 1.358(4) . ?
F6 C34 1.350(5) . ?
F7 C35 1.347(5) . ?
F8 C36 1.341(5) . ?
F9 C37 1.342(5) . ?
F10 C38 1.351(5) . ?
F11 C47 1.348(7) . ?
F12 C48 1.330(7) . ?
F13 C49 1.357(6) . ?
F14 C50 1.336(7) . ?
F15 C51 1.338(7) . ?
N1 C20 1.474(6) . ?
N1 C17 1.476(5) . ?
N1 C19 1.489(6) . ?
N2 C21 1.466(7) . ?
N2 C22 1.472(6) . ?
N2 C18 1.478(6) . ?
N3 C41 1.472(6) . ?
N3 C42 1.477(6) . ?
N3 C39 1.489(6) . ?
N4 C44 1.476(6) . ?
N4 C43 1.481(6) . ?
N4 C40 1.487(6) . ?
N5 C63 1.453(7) . ?
N5 C61 1.477(6) . ?
N5 C64 1.483(7) . ?
N6 C65 1.472(6) . ?
N6 C62 1.480(5) . ?
N6 C66 1.480(6) . ?
C1 C3 1.382(6) . ?
C1 C11 1.430(5) . ?
C2 C12 1.380(6) . ?
C2 C16 1.383(6) . ?
C3 C4 1.411(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.367(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.415(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.419(6) . ?
C6 C11 1.431(6) . ?
C7 C8 1.357(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.413(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.371(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.429(6) . ?
C10 H10 0.9300 . ?
C12 C13 1.382(6) . ?
C13 C14 1.371(6) . ?
C14 C15 1.380(7) . ?
C15 C16 1.380(6) . ?
C17 C18 1.470(8) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C25 1.380(5) . ?
C23 C33 1.433(5) . ?
C24 C38 1.383(5) . ?
C24 C34 1.383(6) . ?
C25 C26 1.410(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.400(6) . ?
C27 H27 0.9300 . ?
C28 C33 1.431(5) . ?
C28 C29 1.432(6) . ?
C29 C30 1.362(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.406(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.366(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.425(6) . ?
C32 H32 0.9300 . ?
C34 C35 1.384(6) . ?
C35 C36 1.370(7) . ?
C36 C37 1.387(8) . ?
C37 C38 1.390(6) . ?
C39 C40 1.501(7) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C70 1.130(15) . ?
C45 C52 1.330(9) . ?
C45 C67 1.394(13) . ?
C45 C60 1.415(10) . ?
C46 C47 1.351(8) . ?
C46 C51 1.405(8) . ?
C47 C48 1.402(7) . ?
C48 C49 1.365(9) . ?
C49 C50 1.356(8) . ?
C50 C51 1.388(7) . ?
C52 C53 1.398(8) . ?
C52 C70 1.743(15) . ?
C53 C54 1.403(12) . ?
C53 C72 1.500(15) . ?
C54 C72 0.815(15) . ?
C54 C73 1.003(17) . ?
C54 C55 1.525(11) . ?
C55 C56 1.344(9) . ?
C55 C73 1.346(16) . ?
C55 C70 1.386(14) . ?
C55 C60 1.419(9) . ?
C55 C69 1.552(16) . ?
C56 C69 0.905(16) . ?
C56 C57 1.302(15) . ?
C56 C73 1.714(18) . ?
C57 C69 0.794(15) . ?
C57 C58 1.464(12) . ?
C58 C59 1.333(9) . ?
C58 C69 1.476(16) . ?
C58 C68 1.519(16) . ?
C59 C68 0.530(13) . ?
C59 C67 1.226(14) . ?
C59 C60 1.401(13) . ?
C59 C70 1.952(16) . ?
C59 C69 2.011(18) . ?
C60 C70 0.556(12) . ?
C60 C67 1.109(14) . ?
C60 C68 1.822(18) . ?
C61 C62 1.503(6) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 C68 1.318(19) . ?
C67 C70 1.429(17) . ?
C72 C73 1.36(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
C1 Pd1 C2 87.39(15) . . ?
C1 Pd1 N1 94.51(14) . . ?
C2 Pd1 N1 177.21(15) . . ?
C1 Pd1 N2 176.87(15) . . ?
C2 Pd1 N2 94.12(14) . . ?
N1 Pd1 N2 83.89(13) . . ?
C23 Pd2 C24 89.26(15) . . ?
C23 Pd2 N3 91.79(15) . . ?
C24 Pd2 N3 175.72(15) . . ?
C23 Pd2 N4 174.41(14) . . ?
C24 Pd2 N4 95.67(14) . . ?
N3 Pd2 N4 83.48(14) . . ?
Pd4 Pd3 C45 102.8(4) . . ?
Pd4 Pd3 C46 83.6(4) . . ?
C45 Pd3 C46 88.8(2) . . ?
Pd4 Pd3 N5 82.9(3) . . ?
C45 Pd3 N5 95.6(2) . . ?
C46 Pd3 N5 166.4(2) . . ?
Pd4 Pd3 C67 64.1(4) . . ?
C45 Pd3 C67 38.7(4) . . ?
C46 Pd3 C67 85.3(3) . . ?
N5 Pd3 C67 90.1(3) . . ?
Pd4 Pd3 N6 82.2(3) . . ?
C45 Pd3 N6 174.6(2) . . ?
C46 Pd3 N6 93.81(16) . . ?
N5 Pd3 N6 82.97(14) . . ?
C67 Pd3 N6 146.2(3) . . ?
Pd3 Pd4 C67 102.9(5) . . ?
Pd3 Pd4 C46 82.3(4) . . ?
C67 Pd4 C46 89.6(4) . . ?
Pd3 Pd4 C45 64.1(4) . . ?
C67 Pd4 C45 38.8(4) . . ?
C46 Pd4 C45 84.2(2) . . ?
Pd3 Pd4 N5 83.8(3) . . ?
C67 Pd4 N5 94.9(3) . . ?
C46 Pd4 N5 166.0(2) . . ?
C45 Pd4 N5 91.0(2) . . ?
Pd3 Pd4 N6 84.6(3) . . ?
C67 Pd4 N6 172.1(3) . . ?
C46 Pd4 N6 93.96(17) . . ?
C45 Pd4 N6 148.6(2) . . ?
N5 Pd4 N6 83.31(14) . . ?
C20 N1 C17 110.0(4) . . ?
C20 N1 C19 107.5(4) . . ?
C17 N1 C19 108.9(4) . . ?
C20 N1 Pd1 109.5(3) . . ?
C17 N1 Pd1 105.8(3) . . ?
C19 N1 Pd1 115.0(3) . . ?
C21 N2 C22 109.2(4) . . ?
C21 N2 C18 111.3(5) . . ?
C22 N2 C18 108.0(4) . . ?
C21 N2 Pd1 110.5(3) . . ?
C22 N2 Pd1 114.4(3) . . ?
C18 N2 Pd1 103.4(3) . . ?
C41 N3 C42 108.0(4) . . ?
C41 N3 C39 111.0(4) . . ?
C42 N3 C39 107.5(4) . . ?
C41 N3 Pd2 109.2(3) . . ?
C42 N3 Pd2 116.5(3) . . ?
C39 N3 Pd2 104.6(3) . . ?
C44 N4 C43 108.1(4) . . ?
C44 N4 C40 109.7(4) . . ?
C43 N4 C40 109.7(4) . . ?
C44 N4 Pd2 109.5(3) . . ?
C43 N4 Pd2 114.7(3) . . ?
C40 N4 Pd2 105.1(3) . . ?
C63 N5 C61 111.2(5) . . ?
C63 N5 C64 107.4(4) . . ?
C61 N5 C64 108.1(4) . . ?
C63 N5 Pd4 102.2(3) . . ?
C61 N5 Pd4 106.8(3) . . ?
C64 N5 Pd4 120.8(3) . . ?
C63 N5 Pd3 114.8(3) . . ?
C61 N5 Pd3 104.5(3) . . ?
C64 N5 Pd3 110.7(3) . . ?
Pd4 N5 Pd3 13.29(4) . . ?
C65 N6 C62 109.2(4) . . ?
C65 N6 C66 108.7(4) . . ?
C62 N6 C66 109.9(4) . . ?
C65 N6 Pd4 109.9(3) . . ?
C62 N6 Pd4 102.2(3) . . ?
C66 N6 Pd4 116.7(3) . . ?
C65 N6 Pd3 119.1(3) . . ?
C62 N6 Pd3 106.0(3) . . ?
C66 N6 Pd3 103.7(3) . . ?
Pd4 N6 Pd3 13.20(4) . . ?
C3 C1 C11 117.4(4) . . ?
C3 C1 Pd1 120.0(3) . . ?
C11 C1 Pd1 122.5(3) . . ?
C12 C2 C16 114.2(4) . . ?
C12 C2 Pd1 124.0(3) . . ?
C16 C2 Pd1 121.7(3) . . ?
C1 C3 C4 122.2(4) . . ?
C1 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.6(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C7 121.3(4) . . ?
C5 C6 C11 119.5(4) . . ?
C7 C6 C11 119.2(4) . . ?
C8 C7 C6 121.5(4) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 120.1(4) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 120.2(4) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 121.4(4) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C1 122.1(4) . . ?
C10 C11 C6 117.5(4) . . ?
C1 C11 C6 120.4(4) . . ?
F5 C12 C2 120.1(4) . . ?
F5 C12 C13 115.6(4) . . ?
C2 C12 C13 124.3(4) . . ?
F4 C13 C14 119.5(4) . . ?
F4 C13 C12 121.3(4) . . ?
C14 C13 C12 119.2(4) . . ?
F3 C14 C13 120.9(4) . . ?
F3 C14 C15 120.0(4) . . ?
C13 C14 C15 119.1(4) . . ?
F2 C15 C14 119.5(4) . . ?
F2 C15 C16 120.9(4) . . ?
C14 C15 C16 119.6(4) . . ?
F1 C16 C15 116.3(4) . . ?
F1 C16 C2 119.9(4) . . ?
C15 C16 C2 123.7(4) . . ?
C18 C17 N1 112.5(4) . . ?
C18 C17 H17A 109.1 . . ?
N1 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
N1 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
C17 C18 N2 112.9(4) . . ?
C17 C18 H18A 109.0 . . ?
N2 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
N2 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
N1 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C33 118.0(4) . . ?
C25 C23 Pd2 121.2(3) . . ?
C33 C23 Pd2 120.2(3) . . ?
C38 C24 C34 114.7(4) . . ?
C38 C24 Pd2 124.3(3) . . ?
C34 C24 Pd2 120.6(3) . . ?
C23 C25 C26 122.0(4) . . ?
C23 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
C27 C26 C25 120.1(4) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.8(4) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C27 C28 C33 119.1(4) . . ?
C27 C28 C29 122.3(4) . . ?
C33 C28 C29 118.6(4) . . ?
C30 C29 C28 121.4(4) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C29 C30 C31 120.2(4) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C32 C31 C30 120.3(4) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C33 121.8(4) . . ?
C31 C32 H32 119.1 . . ?
C33 C32 H32 119.1 . . ?
C32 C33 C28 117.8(4) . . ?
C32 C33 C23 122.2(4) . . ?
C28 C33 C23 120.0(4) . . ?
F6 C34 C24 120.4(4) . . ?
F6 C34 C35 115.9(4) . . ?
C24 C34 C35 123.7(4) . . ?
F7 C35 C36 119.2(4) . . ?
F7 C35 C34 121.1(4) . . ?
C36 C35 C34 119.6(4) . . ?
F8 C36 C35 120.8(5) . . ?
F8 C36 C37 119.9(5) . . ?
C35 C36 C37 119.3(4) . . ?
F9 C37 C36 120.0(4) . . ?
F9 C37 C38 121.0(5) . . ?
C36 C37 C38 119.0(4) . . ?
F10 C38 C24 120.6(4) . . ?
F10 C38 C37 115.8(4) . . ?
C24 C38 C37 123.6(4) . . ?
N3 C39 C40 111.5(4) . . ?
N3 C39 H39A 109.3 . . ?
C40 C39 H39A 109.3 . . ?
N3 C39 H39B 109.3 . . ?
C40 C39 H39B 109.3 . . ?
H39A C39 H39B 108.0 . . ?
N4 C40 C39 110.7(4) . . ?
N4 C40 H40A 109.5 . . ?
C39 C40 H40A 109.5 . . ?
N4 C40 H40B 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
N3 C41 H41A 109.5 . . ?
N3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
N3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N3 C42 H42A 109.5 . . ?
N3 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
N3 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N4 C43 H43A 109.5 . . ?
N4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N4 C44 H44A 109.5 . . ?
N4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C70 C45 C52 89.8(9) . . ?
C70 C45 C67 68.0(9) . . ?
C52 C45 C67 157.8(8) . . ?
C70 C45 C60 21.7(7) . . ?
C52 C45 C60 111.5(7) . . ?
C67 C45 C60 46.5(6) . . ?
C70 C45 Pd3 145.7(9) . . ?
C52 C45 Pd3 124.1(6) . . ?
C67 C45 Pd3 77.8(6) . . ?
C60 C45 Pd3 124.3(6) . . ?
C70 C45 Pd4 132.6(9) . . ?
C52 C45 Pd4 137.2(6) . . ?
C67 C45 Pd4 64.7(5) . . ?
C60 C45 Pd4 111.2(6) . . ?
Pd3 C45 Pd4 13.10(6) . . ?
C47 C46 C51 113.8(5) . . ?
C47 C46 Pd3 119.0(5) . . ?
C51 C46 Pd3 127.1(4) . . ?
C47 C46 Pd4 133.0(5) . . ?
C51 C46 Pd4 113.0(4) . . ?
Pd3 C46 Pd4 14.13(5) . . ?
F11 C47 C46 119.3(5) . . ?
F11 C47 C48 115.6(5) . . ?
C46 C47 C48 125.2(6) . . ?
F12 C48 C49 120.8(5) . . ?
F12 C48 C47 121.4(6) . . ?
C49 C48 C47 117.7(6) . . ?
C50 C49 F13 120.1(6) . . ?
C50 C49 C48 121.0(5) . . ?
F13 C49 C48 118.9(5) . . ?
F14 C50 C49 119.5(5) . . ?
F14 C50 C51 121.6(6) . . ?
C49 C50 C51 118.9(6) . . ?
F15 C51 C50 116.1(5) . . ?
F15 C51 C46 120.4(4) . . ?
C50 C51 C46 123.5(6) . . ?
C45 C52 C53 137.3(8) . . ?
C45 C52 C70 40.4(6) . . ?
C53 C52 C70 96.9(7) . . ?
C54 C53 C52 108.8(7) . . ?
C54 C53 C72 32.4(6) . . ?
C52 C53 C72 141.2(8) . . ?
C72 C54 C73 95.9(16) . . ?
C72 C54 C53 80.4(14) . . ?
C73 C54 C53 176.1(13) . . ?
C72 C54 C55 156.1(16) . . ?
C73 C54 C55 60.2(11) . . ?
C53 C54 C55 123.5(7) . . ?
C56 C55 C73 79.2(8) . . ?
C56 C55 C70 148.4(8) . . ?
C73 C55 C70 132.4(10) . . ?
C56 C55 C60 125.6(7) . . ?
C73 C55 C60 155.1(9) . . ?
C70 C55 C60 22.8(5) . . ?
C56 C55 C54 119.4(6) . . ?
C73 C55 C54 40.3(7) . . ?
C70 C55 C54 92.1(7) . . ?
C60 C55 C54 114.8(6) . . ?
C56 C55 C69 35.5(6) . . ?
C73 C55 C69 114.3(9) . . ?
C70 C55 C69 113.2(9) . . ?
C60 C55 C69 90.6(8) . . ?
C54 C55 C69 154.5(8) . . ?
C69 C56 C57 36.9(11) . . ?
C69 C56 C55 84.9(12) . . ?
C57 C56 C55 120.1(8) . . ?
C69 C56 C73 134.5(14) . . ?
C57 C56 C73 170.4(9) . . ?
C55 C56 C73 50.4(6) . . ?
C69 C57 C56 43.2(13) . . ?
C69 C57 C58 75.1(15) . . ?
C56 C57 C58 117.6(9) . . ?
C59 C58 C57 121.2(8) . . ?
C59 C58 C69 91.3(8) . . ?
C57 C58 C69 31.3(6) . . ?
C59 C58 C68 20.1(6) . . ?
C57 C58 C68 141.1(8) . . ?
C69 C58 C68 110.4(9) . . ?
C68 C59 C67 88(2) . . ?
C68 C59 C58 100(2) . . ?
C67 C59 C58 169.7(10) . . ?
C68 C59 C60 136(2) . . ?
C67 C59 C60 49.4(7) . . ?
C58 C59 C60 121.3(8) . . ?
C68 C59 C70 134(2) . . ?
C67 C59 C70 46.9(7) . . ?
C58 C59 C70 123.8(8) . . ?
C60 C59 C70 2.7(6) . . ?
C68 C59 C69 144(2) . . ?
C67 C59 C69 123.1(10) . . ?
C58 C59 C69 47.2(6) . . ?
C60 C59 C69 74.2(7) . . ?
C70 C59 C69 76.6(7) . . ?
C70 C60 C67 114(2) . . ?
C70 C60 C59 171(2) . . ?
C67 C60 C59 57.0(8) . . ?
C70 C60 C45 48.9(18) . . ?
C67 C60 C45 65.7(8) . . ?
C59 C60 C45 122.6(7) . . ?
C70 C60 C55 75.2(19) . . ?
C67 C60 C55 169.3(11) . . ?
C59 C60 C55 113.4(7) . . ?
C45 C60 C55 124.0(8) . . ?
C70 C60 C68 159(2) . . ?
C67 C60 C68 45.9(8) . . ?
C59 C60 C68 11.6(6) . . ?
C45 C60 C68 111.6(7) . . ?
C55 C60 C68 124.2(8) . . ?
N5 C61 C62 111.1(4) . . ?
N5 C61 H61A 109.4 . . ?
C62 C61 H61A 109.4 . . ?
N5 C61 H61B 109.4 . . ?
C62 C61 H61B 109.4 . . ?
H61A C61 H61B 108.0 . . ?
N6 C62 C61 111.2(4) . . ?
N6 C62 H62A 109.4 . . ?
C61 C62 H62A 109.4 . . ?
N6 C62 H62B 109.4 . . ?
C61 C62 H62B 109.4 . . ?
H62A C62 H62B 108.0 . . ?
N5 C63 H63A 109.5 . . ?
N5 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N5 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N5 C64 H64A 109.5 . . ?
N5 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
N5 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N6 C65 H65A 109.5 . . ?
N6 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N6 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N6 C66 H66A 109.5 . . ?
N6 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N6 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C60 C67 C59 73.6(10) . . ?
C60 C67 C68 96.9(12) . . ?
C59 C67 C68 23.7(6) . . ?
C60 C67 C45 67.8(8) . . ?
C59 C67 C45 141.1(11) . . ?
C68 C67 C45 164.7(12) . . ?
C60 C67 C70 20.8(7) . . ?
C59 C67 C70 94.3(10) . . ?
C68 C67 C70 117.5(12) . . ?
C45 C67 C70 47.2(7) . . ?
C60 C67 Pd4 144.2(10) . . ?
C59 C67 Pd4 142.1(9) . . ?
C68 C67 Pd4 118.9(10) . . ?
C45 C67 Pd4 76.4(6) . . ?
C70 C67 Pd4 123.5(9) . . ?
C60 C67 Pd3 131.2(10) . . ?
C59 C67 Pd3 154.9(9) . . ?
C68 C67 Pd3 131.9(10) . . ?
C45 C67 Pd3 63.4(5) . . ?
C70 C67 Pd3 110.5(8) . . ?
Pd4 C67 Pd3 12.98(9) . . ?
C59 C68 C67 68(2) . . ?
C59 C68 C58 60(2) . . ?
C67 C68 C58 127.7(12) . . ?
C59 C68 C60 32.1(18) . . ?
C67 C68 C60 37.2(7) . . ?
C58 C68 C60 90.6(8) . . ?
C57 C69 C56 100(2) . . ?
C57 C69 C58 73.5(15) . . ?
C56 C69 C58 167.4(16) . . ?
C57 C69 C55 154.1(19) . . ?
C56 C69 C55 59.6(11) . . ?
C58 C69 C55 123.1(11) . . ?
C57 C69 C59 113.4(17) . . ?
C56 C69 C59 140.0(15) . . ?
C58 C69 C59 41.5(5) . . ?
C55 C69 C59 81.8(7) . . ?
C60 C70 C45 109(2) . . ?
C60 C70 C55 82.0(19) . . ?
C45 C70 C55 168.1(13) . . ?
C60 C70 C67 45.2(16) . . ?
C45 C70 C67 64.8(9) . . ?
C55 C70 C67 126.9(11) . . ?
C60 C70 C52 159(2) . . ?
C45 C70 C52 49.7(7) . . ?
C55 C70 C52 118.6(9) . . ?
C67 C70 C52 114.5(10) . . ?
C60 C70 C59 6.7(15) . . ?
C45 C70 C59 103.3(10) . . ?
C55 C70 C59 88.2(8) . . ?
C67 C70 C59 38.8(6) . . ?
C52 C70 C59 153.0(9) . . ?
C54 C72 C73 47.4(12) . . ?
C54 C72 C53 67.3(13) . . ?
C73 C72 C53 114.6(14) . . ?
C54 C73 C55 79.5(12) . . ?
C54 C73 C72 36.7(9) . . ?
C55 C73 C72 116.2(14) . . ?
C54 C73 C56 129.7(14) . . ?
C55 C73 C56 50.4(6) . . ?
C72 C73 C56 165.9(14) . . ?

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
C45 Pd3 Pd4 C67 -0.6(4) . . . . ?
C46 Pd3 Pd4 C67 -87.8(4) . . . . ?
N5 Pd3 Pd4 C67 93.6(4) . . . . ?
N6 Pd3 Pd4 C67 177.4(4) . . . . ?
C45 Pd3 Pd4 C46 87.3(3) . . . . ?
N5 Pd3 Pd4 C46 -178.59(16) . . . . ?
C67 Pd3 Pd4 C46 87.8(4) . . . . ?
N6 Pd3 Pd4 C46 -94.75(15) . . . . ?
C46 Pd3 Pd4 C45 -87.3(3) . . . . ?
N5 Pd3 Pd4 C45 94.1(2) . . . . ?
C67 Pd3 Pd4 C45 0.6(4) . . . . ?
N6 Pd3 Pd4 C45 178.0(2) . . . . ?
C45 Pd3 Pd4 N5 -94.1(2) . . . . ?
C46 Pd3 Pd4 N5 178.59(16) . . . . ?
C67 Pd3 Pd4 N5 -93.6(4) . . . . ?
N6 Pd3 Pd4 N5 83.83(13) . . . . ?
C45 Pd3 Pd4 N6 -178.0(2) . . . . ?
C46 Pd3 Pd4 N6 94.75(15) . . . . ?
N5 Pd3 Pd4 N6 -83.83(13) . . . . ?
C67 Pd3 Pd4 N6 -177.4(4) . . . . ?
C11 C1 C3 C4 -0.3(6) . . . . ?
Pd1 C1 C3 C4 177.1(3) . . . . ?
C1 C3 C4 C5 0.0(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C4 C5 C6 C7 179.4(4) . . . . ?
C4 C5 C6 C11 0.4(6) . . . . ?
C5 C6 C7 C8 -178.6(4) . . . . ?
C11 C6 C7 C8 0.3(6) . . . . ?
C6 C7 C8 C9 -0.2(7) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C8 C9 C10 C11 0.2(6) . . . . ?
C9 C10 C11 C1 179.5(4) . . . . ?
C9 C10 C11 C6 0.0(6) . . . . ?
C3 C1 C11 C10 -178.8(4) . . . . ?
Pd1 C1 C11 C10 3.8(5) . . . . ?
C3 C1 C11 C6 0.7(5) . . . . ?
Pd1 C1 C11 C6 -176.6(3) . . . . ?
C5 C6 C11 C10 178.8(4) . . . . ?
C7 C6 C11 C10 -0.2(6) . . . . ?
C5 C6 C11 C1 -0.8(6) . . . . ?
C7 C6 C11 C1 -179.8(4) . . . . ?
C16 C2 C12 F5 -179.9(4) . . . . ?
Pd1 C2 C12 F5 -4.3(6) . . . . ?
C16 C2 C12 C13 -1.2(6) . . . . ?
Pd1 C2 C12 C13 174.4(3) . . . . ?
F5 C12 C13 F4 -0.4(6) . . . . ?
C2 C12 C13 F4 -179.1(4) . . . . ?
F5 C12 C13 C14 178.7(4) . . . . ?
C2 C12 C13 C14 0.0(7) . . . . ?
F4 C13 C14 F3 0.3(7) . . . . ?
C12 C13 C14 F3 -178.8(4) . . . . ?
F4 C13 C14 C15 -179.9(4) . . . . ?
C12 C13 C14 C15 0.9(7) . . . . ?
F3 C14 C15 F2 0.1(7) . . . . ?
C13 C14 C15 F2 -179.6(5) . . . . ?
F3 C14 C15 C16 179.2(4) . . . . ?
C13 C14 C15 C16 -0.6(8) . . . . ?
F2 C15 C16 F1 0.2(7) . . . . ?
C14 C15 C16 F1 -178.8(4) . . . . ?
F2 C15 C16 C2 178.3(4) . . . . ?
C14 C15 C16 C2 -0.8(8) . . . . ?
C12 C2 C16 F1 179.6(4) . . . . ?
Pd1 C2 C16 F1 3.9(6) . . . . ?
C12 C2 C16 C15 1.6(7) . . . . ?
Pd1 C2 C16 C15 -174.1(4) . . . . ?
C20 N1 C17 C18 83.4(5) . . . . ?
C19 N1 C17 C18 -159.1(5) . . . . ?
Pd1 N1 C17 C18 -34.9(6) . . . . ?
N1 C17 C18 N2 54.8(7) . . . . ?
C21 N2 C18 C17 77.0(6) . . . . ?
C22 N2 C18 C17 -163.1(5) . . . . ?
Pd1 N2 C18 C17 -41.6(6) . . . . ?
C33 C23 C25 C26 3.3(6) . . . . ?
Pd2 C23 C25 C26 -167.7(3) . . . . ?
C23 C25 C26 C27 -0.9(6) . . . . ?
C25 C26 C27 C28 -1.5(6) . . . . ?
C26 C27 C28 C33 1.3(6) . . . . ?
C26 C27 C28 C29 -177.5(4) . . . . ?
C27 C28 C29 C30 179.0(4) . . . . ?
C33 C28 C29 C30 0.3(6) . . . . ?
C28 C29 C30 C31 -0.2(6) . . . . ?
C29 C30 C31 C32 0.4(6) . . . . ?
C30 C31 C32 C33 -0.5(6) . . . . ?
C31 C32 C33 C28 0.6(6) . . . . ?
C31 C32 C33 C23 -179.9(4) . . . . ?
C27 C28 C33 C32 -179.2(4) . . . . ?
C29 C28 C33 C32 -0.4(5) . . . . ?
C27 C28 C33 C23 1.2(6) . . . . ?
C29 C28 C33 C23 -180.0(4) . . . . ?
C25 C23 C33 C32 177.0(4) . . . . ?
Pd2 C23 C33 C32 -11.9(5) . . . . ?
C25 C23 C33 C28 -3.4(5) . . . . ?
Pd2 C23 C33 C28 167.6(3) . . . . ?
C38 C24 C34 F6 179.4(3) . . . . ?
Pd2 C24 C34 F6 -7.0(5) . . . . ?
C38 C24 C34 C35 -1.8(6) . . . . ?
Pd2 C24 C34 C35 171.7(3) . . . . ?
F6 C34 C35 F7 0.1(6) . . . . ?
C24 C34 C35 F7 -178.6(4) . . . . ?
F6 C34 C35 C36 179.6(4) . . . . ?
C24 C34 C35 C36 0.8(6) . . . . ?
F7 C35 C36 F8 2.2(6) . . . . ?
C34 C35 C36 F8 -177.2(4) . . . . ?
F7 C35 C36 C37 179.8(4) . . . . ?
C34 C35 C36 C37 0.3(6) . . . . ?
F8 C36 C37 F9 -2.2(6) . . . . ?
C35 C36 C37 F9 -179.7(4) . . . . ?
F8 C36 C37 C38 177.2(4) . . . . ?
C35 C36 C37 C38 -0.3(6) . . . . ?
C34 C24 C38 F10 -179.8(3) . . . . ?
Pd2 C24 C38 F10 7.0(5) . . . . ?
C34 C24 C38 C37 1.9(6) . . . . ?
Pd2 C24 C38 C37 -171.4(3) . . . . ?
F9 C37 C38 F10 0.1(6) . . . . ?
C36 C37 C38 F10 -179.3(4) . . . . ?
F9 C37 C38 C24 178.6(4) . . . . ?
C36 C37 C38 C24 -0.9(6) . . . . ?
C41 N3 C39 C40 -73.7(5) . . . . ?
C42 N3 C39 C40 168.4(4) . . . . ?
Pd2 N3 C39 C40 43.9(4) . . . . ?
C44 N4 C40 C39 -80.1(5) . . . . ?
C43 N4 C40 C39 161.3(4) . . . . ?
Pd2 N4 C40 C39 37.5(5) . . . . ?
N3 C39 C40 N4 -57.8(6) . . . . ?
C51 C46 C47 F11 179.6(4) . . . . ?
Pd3 C46 C47 F11 -3.7(6) . . . . ?
Pd4 C46 C47 F11 -6.1(7) . . . . ?
C51 C46 C47 C48 -0.9(7) . . . . ?
Pd3 C46 C47 C48 175.8(4) . . . . ?
Pd4 C46 C47 C48 173.4(4) . . . . ?
F11 C47 C48 F12 0.9(7) . . . . ?
C46 C47 C48 F12 -178.6(5) . . . . ?
F11 C47 C48 C49 -178.9(4) . . . . ?
C46 C47 C48 C49 1.6(8) . . . . ?
F12 C48 C49 C50 178.8(4) . . . . ?
C47 C48 C49 C50 -1.4(7) . . . . ?
F12 C48 C49 F13 -0.9(7) . . . . ?
C47 C48 C49 F13 178.9(4) . . . . ?
F13 C49 C50 F14 -0.9(7) . . . . ?
C48 C49 C50 F14 179.5(5) . . . . ?
F13 C49 C50 C51 -179.7(4) . . . . ?
C48 C49 C50 C51 0.7(8) . . . . ?
F14 C50 C51 F15 3.4(7) . . . . ?
C49 C50 C51 F15 -177.9(5) . . . . ?
F14 C50 C51 C46 -178.7(5) . . . . ?
C49 C50 C51 C46 0.0(8) . . . . ?
C47 C46 C51 F15 177.9(4) . . . . ?
Pd3 C46 C51 F15 1.5(7) . . . . ?
Pd4 C46 C51 F15 2.4(6) . . . . ?
C47 C46 C51 C50 0.1(7) . . . . ?
Pd3 C46 C51 C50 -176.3(4) . . . . ?
Pd4 C46 C51 C50 -175.4(4) . . . . ?
C70 C45 C52 C53 -1.7(12) . . . . ?
C67 C45 C52 C53 -6(2) . . . . ?
C60 C45 C52 C53 0.6(11) . . . . ?
Pd3 C45 C52 C53 -176.2(5) . . . . ?
Pd4 C45 C52 C53 -175.2(5) . . . . ?
C67 C45 C52 C70 -4.4(19) . . . . ?
C60 C45 C52 C70 2.3(9) . . . . ?
Pd3 C45 C52 C70 -174.5(10) . . . . ?
Pd4 C45 C52 C70 -173.5(12) . . . . ?
C45 C52 C53 C54 0.2(10) . . . . ?
C70 C52 C53 C54 -0.8(7) . . . . ?
C45 C52 C53 C72 -0.4(15) . . . . ?
C70 C52 C53 C72 -1.5(13) . . . . ?
C52 C53 C54 C72 -179.3(12) . . . . ?
C52 C53 C54 C55 -0.1(9) . . . . ?
C72 C53 C54 C55 179.2(17) . . . . ?
C72 C54 C55 C56 1(4) . . . . ?
C73 C54 C55 C56 4.8(13) . . . . ?
C53 C54 C55 C56 -176.5(7) . . . . ?
C72 C54 C55 C73 -3(3) . . . . ?
C53 C54 C55 C73 178.7(15) . . . . ?
C72 C54 C55 C70 179(4) . . . . ?
C73 C54 C55 C70 -177.5(12) . . . . ?
C53 C54 C55 C70 1.2(9) . . . . ?
C72 C54 C55 C60 177(3) . . . . ?
C73 C54 C55 C60 -179.5(11) . . . . ?
C53 C54 C55 C60 -0.9(10) . . . . ?
C72 C54 C55 C69 -7(4) . . . . ?
C73 C54 C55 C69 -3(2) . . . . ?
C53 C54 C55 C69 175.2(14) . . . . ?
C73 C55 C56 C69 -170.8(13) . . . . ?
C70 C55 C56 C69 10(2) . . . . ?
C60 C55 C56 C69 10.9(13) . . . . ?
C54 C55 C56 C69 -173.9(11) . . . . ?
C73 C55 C56 C57 177.6(11) . . . . ?
C70 C55 C56 C57 -1(2) . . . . ?
C60 C55 C56 C57 -0.7(13) . . . . ?
C54 C55 C56 C57 174.5(8) . . . . ?
C69 C55 C56 C57 -11.6(11) . . . . ?
C70 C55 C56 C73 -178.8(16) . . . . ?
C60 C55 C56 C73 -178.3(9) . . . . ?
C54 C55 C56 C73 -3.2(8) . . . . ?
C69 C55 C56 C73 170.8(13) . . . . ?
C55 C56 C57 C69 19.5(18) . . . . ?
C69 C56 C57 C58 -12.0(16) . . . . ?
C55 C56 C57 C58 7.5(14) . . . . ?
C69 C57 C58 C59 -19.3(16) . . . . ?
C56 C57 C58 C59 -10.9(13) . . . . ?
C56 C57 C58 C69 8.5(12) . . . . ?
C69 C57 C58 C68 -15(2) . . . . ?
C56 C57 C58 C68 -6.9(18) . . . . ?
C57 C58 C59 C68 173(2) . . . . ?
C69 C58 C59 C68 163(2) . . . . ?
C57 C58 C59 C67 32(6) . . . . ?
C69 C58 C59 C67 22(6) . . . . ?
C68 C58 C59 C67 -141(7) . . . . ?
C57 C58 C59 C60 7.0(11) . . . . ?
C69 C58 C59 C60 -3.0(10) . . . . ?
C68 C58 C59 C60 -166(3) . . . . ?
C57 C58 C59 C70 8.3(12) . . . . ?
C69 C58 C59 C70 -1.6(10) . . . . ?
C68 C58 C59 C70 -164(3) . . . . ?
C57 C58 C59 C69 9.9(8) . . . . ?
C68 C58 C59 C69 -163(2) . . . . ?
C68 C59 C60 C67 15(3) . . . . ?
C58 C59 C60 C67 174.4(11) . . . . ?
C70 C59 C60 C67 19(13) . . . . ?
C69 C59 C60 C67 172.1(9) . . . . ?
C68 C59 C60 C45 20(4) . . . . ?
C67 C59 C60 C45 5.0(9) . . . . ?
C58 C59 C60 C45 179.3(7) . . . . ?
C70 C59 C60 C45 24(13) . . . . ?
C69 C59 C60 C45 177.1(8) . . . . ?
C68 C59 C60 C55 -160(3) . . . . ?
C67 C59 C60 C55 -174.5(10) . . . . ?
C58 C59 C60 C55 -0.2(10) . . . . ?
C70 C59 C60 C55 -156(13) . . . . ?
C69 C59 C60 C55 -2.4(6) . . . . ?
C67 C59 C60 C68 -15(3) . . . . ?
C58 C59 C60 C68 159(4) . . . . ?
C70 C59 C60 C68 4(14) . . . . ?
C69 C59 C60 C68 157(3) . . . . ?
C52 C45 C60 C70 -6(2) . . . . ?
C67 C45 C60 C70 170(3) . . . . ?
Pd3 C45 C60 C70 171(2) . . . . ?
Pd4 C45 C60 C70 171(2) . . . . ?
C70 C45 C60 C67 -170(3) . . . . ?
C52 C45 C60 C67 -176.5(9) . . . . ?
Pd3 C45 C60 C67 0.2(8) . . . . ?
Pd4 C45 C60 C67 0.4(8) . . . . ?
C70 C45 C60 C59 -175(3) . . . . ?
C52 C45 C60 C59 178.9(7) . . . . ?
C67 C45 C60 C59 -4.6(8) . . . . ?
Pd3 C45 C60 C59 -4.4(10) . . . . ?
Pd4 C45 C60 C59 -4.2(9) . . . . ?
C70 C45 C60 C55 4(2) . . . . ?
C52 C45 C60 C55 -1.7(9) . . . . ?
C67 C45 C60 C55 174.9(11) . . . . ?
Pd3 C45 C60 C55 175.1(5) . . . . ?
Pd4 C45 C60 C55 175.2(5) . . . . ?
C70 C45 C60 C68 -171(3) . . . . ?
C52 C45 C60 C68 -176.9(7) . . . . ?
C67 C45 C60 C68 -0.4(8) . . . . ?
Pd3 C45 C60 C68 -0.2(9) . . . . ?
Pd4 C45 C60 C68 0.0(8) . . . . ?
C56 C55 C60 C70 -179.4(18) . . . . ?
C73 C55 C60 C70 5(3) . . . . ?
C54 C55 C60 C70 5(2) . . . . ?
C69 C55 C60 C70 -173.0(19) . . . . ?
C56 C55 C60 C67 -29(5) . . . . ?
C73 C55 C60 C67 155(5) . . . . ?
C70 C55 C60 C67 150(6) . . . . ?
C54 C55 C60 C67 156(5) . . . . ?
C69 C55 C60 C67 -23(5) . . . . ?
C56 C55 C60 C59 -3.3(10) . . . . ?
C73 C55 C60 C59 -179.4(17) . . . . ?
C70 C55 C60 C59 176(2) . . . . ?
C54 C55 C60 C59 -178.7(6) . . . . ?
C69 C55 C60 C59 3.0(8) . . . . ?
C56 C55 C60 C45 177.2(7) . . . . ?
C73 C55 C60 C45 1(2) . . . . ?
C70 C55 C60 C45 -3.4(16) . . . . ?
C54 C55 C60 C45 1.8(9) . . . . ?
C69 C55 C60 C45 -176.5(8) . . . . ?
C56 C55 C60 C68 -8.2(11) . . . . ?
C73 C55 C60 C68 175.7(18) . . . . ?
C70 C55 C60 C68 171(2) . . . . ?
C54 C55 C60 C68 176.5(8) . . . . ?
C69 C55 C60 C68 -1.9(9) . . . . ?
C63 N5 C61 C62 79.5(5) . . . . ?
C64 N5 C61 C62 -162.7(4) . . . . ?
Pd4 N5 C61 C62 -31.3(5) . . . . ?
Pd3 N5 C61 C62 -44.8(5) . . . . ?
C65 N6 C62 C61 -165.2(4) . . . . ?
C66 N6 C62 C61 75.7(5) . . . . ?
Pd4 N6 C62 C61 -48.9(4) . . . . ?
Pd3 N6 C62 C61 -35.8(4) . . . . ?
N5 C61 C62 N6 57.2(6) . . . . ?
C70 C60 C67 C59 177(2) . . . . ?
C45 C60 C67 C59 -175.4(8) . . . . ?
C55 C60 C67 C59 28(5) . . . . ?
C68 C60 C67 C59 4.1(9) . . . . ?
C70 C60 C67 C68 173(2) . . . . ?
C59 C60 C67 C68 -4.1(9) . . . . ?
C45 C60 C67 C68 -179.5(11) . . . . ?
C55 C60 C67 C68 24(5) . . . . ?
C70 C60 C67 C45 -8(2) . . . . ?
C59 C60 C67 C45 175.4(8) . . . . ?
C55 C60 C67 C45 -156(5) . . . . ?
C68 C60 C67 C45 179.5(11) . . . . ?
C59 C60 C67 C70 -177(2) . . . . ?
C45 C60 C67 C70 8(2) . . . . ?
C55 C60 C67 C70 -149(6) . . . . ?
C68 C60 C67 C70 -173(2) . . . . ?
C70 C60 C67 Pd4 -9(3) . . . . ?
C59 C60 C67 Pd4 174.7(18) . . . . ?
C45 C60 C67 Pd4 -0.6(13) . . . . ?
C55 C60 C67 Pd4 -157(4) . . . . ?
C68 C60 C67 Pd4 179(2) . . . . ?
C70 C60 C67 Pd3 -8(3) . . . . ?
C59 C60 C67 Pd3 175.2(13) . . . . ?
C45 C60 C67 Pd3 -0.2(8) . . . . ?
C55 C60 C67 Pd3 -157(4) . . . . ?
C68 C60 C67 Pd3 179.3(16) . . . . ?
C68 C59 C67 C60 -170(2) . . . . ?
C58 C59 C67 C60 -28(6) . . . . ?
C70 C59 C67 C60 -1.2(8) . . . . ?
C69 C59 C67 C60 -9.1(11) . . . . ?
C58 C59 C67 C68 142(7) . . . . ?
C60 C59 C67 C68 170(2) . . . . ?
C70 C59 C67 C68 169(2) . . . . ?
C69 C59 C67 C68 161(3) . . . . ?
C68 C59 C67 C45 -177(2) . . . . ?
C58 C59 C67 C45 -35(6) . . . . ?
C60 C59 C67 C45 -6.8(12) . . . . ?
C70 C59 C67 C45 -8.0(12) . . . . ?
C69 C59 C67 C45 -16(2) . . . . ?
C68 C59 C67 C70 -169(2) . . . . ?
C58 C59 C67 C70 -27(6) . . . . ?
C60 C59 C67 C70 1.2(8) . . . . ?
C69 C59 C67 C70 -7.9(12) . . . . ?
C68 C59 C67 Pd4 15(3) . . . . ?
C58 C59 C67 Pd4 157(5) . . . . ?
C60 C59 C67 Pd4 -175.0(17) . . . . ?
C70 C59 C67 Pd4 -176.2(18) . . . . ?
C69 C59 C67 Pd4 175.9(10) . . . . ?
C68 C59 C67 Pd3 19(3) . . . . ?
C58 C59 C67 Pd3 161(4) . . . . ?
C60 C59 C67 Pd3 -171(2) . . . . ?
C70 C59 C67 Pd3 -173(3) . . . . ?
C69 C59 C67 Pd3 179.5(16) . . . . ?
C70 C45 C67 C60 3.8(10) . . . . ?
C52 C45 C67 C60 9(2) . . . . ?
Pd3 C45 C67 C60 -179.8(7) . . . . ?
Pd4 C45 C67 C60 -179.6(8) . . . . ?
C70 C45 C67 C59 10.9(17) . . . . ?
C52 C45 C67 C59 16(3) . . . . ?
C60 C45 C67 C59 7.1(13) . . . . ?
Pd3 C45 C67 C59 -172.8(16) . . . . ?
Pd4 C45 C67 C59 -172.6(17) . . . . ?
C70 C45 C67 C68 6(4) . . . . ?
C52 C45 C67 C68 10(6) . . . . ?
C60 C45 C67 C68 2(4) . . . . ?
Pd3 C45 C67 C68 -178(4) . . . . ?
Pd4 C45 C67 C68 -178(5) . . . . ?
C52 C45 C67 C70 5(2) . . . . ?
C60 C45 C67 C70 -3.8(10) . . . . ?
Pd3 C45 C67 C70 176.4(9) . . . . ?
Pd4 C45 C67 C70 176.6(9) . . . . ?
C70 C45 C67 Pd4 -176.6(9) . . . . ?
C52 C45 C67 Pd4 -171.8(19) . . . . ?
C60 C45 C67 Pd4 179.6(8) . . . . ?
Pd3 C45 C67 Pd4 -0.20(16) . . . . ?
C70 C45 C67 Pd3 -176.4(9) . . . . ?
C52 C45 C67 Pd3 -172(2) . . . . ?
C60 C45 C67 Pd3 179.8(7) . . . . ?
Pd4 C45 C67 Pd3 0.20(16) . . . . ?
C58 C59 C68 C67 -173.5(11) . . . . ?
C60 C59 C68 C67 -11(2) . . . . ?
C70 C59 C68 C67 -11(2) . . . . ?
C69 C59 C68 C67 -152(4) . . . . ?
C67 C59 C68 C58 173.5(11) . . . . ?
C60 C59 C68 C58 162(3) . . . . ?
C70 C59 C68 C58 162(3) . . . . ?
C69 C59 C68 C58 22(3) . . . . ?
C67 C59 C68 C60 11(2) . . . . ?
C58 C59 C68 C60 -162(3) . . . . ?
C70 C59 C68 C60 -0.2(9) . . . . ?
C69 C59 C68 C60 -141(6) . . . . ?
C60 C67 C68 C59 10(2) . . . . ?
C45 C67 C68 C59 8(6) . . . . ?
C70 C67 C68 C59 13(3) . . . . ?
Pd4 C67 C68 C59 -169.4(19) . . . . ?
Pd3 C67 C68 C59 -169.4(19) . . . . ?
C60 C67 C68 C58 2.8(17) . . . . ?
C59 C67 C68 C58 -7.1(12) . . . . ?
C45 C67 C68 C58 1(5) . . . . ?
C70 C67 C68 C58 6(2) . . . . ?
Pd4 C67 C68 C58 -176.4(9) . . . . ?
Pd3 C67 C68 C58 -176.5(8) . . . . ?
C59 C67 C68 C60 -10(2) . . . . ?
C45 C67 C68 C60 -2(4) . . . . ?
C70 C67 C68 C60 3.0(9) . . . . ?
Pd4 C67 C68 C60 -179.2(14) . . . . ?
Pd3 C67 C68 C60 -179.3(17) . . . . ?
C57 C58 C68 C59 -10(3) . . . . ?
C69 C58 C68 C59 -18(2) . . . . ?
C59 C58 C68 C67 7.6(13) . . . . ?
C57 C58 C68 C67 -2(2) . . . . ?
C69 C58 C68 C67 -10.8(18) . . . . ?
C59 C58 C68 C60 9.3(18) . . . . ?
C57 C58 C68 C60 -0.6(15) . . . . ?
C69 C58 C68 C60 -9.1(10) . . . . ?
C70 C60 C68 C59 178(6) . . . . ?
C67 C60 C68 C59 -163(4) . . . . ?
C45 C60 C68 C59 -162(3) . . . . ?
C55 C60 C68 C59 23(4) . . . . ?
C70 C60 C68 C67 -19(6) . . . . ?
C59 C60 C68 C67 163(4) . . . . ?
C45 C60 C68 C67 0.5(11) . . . . ?
C55 C60 C68 C67 -174.7(12) . . . . ?
C70 C60 C68 C58 163(6) . . . . ?
C67 C60 C68 C58 -177.8(14) . . . . ?
C59 C60 C68 C58 -15(3) . . . . ?
C45 C60 C68 C58 -177.3(7) . . . . ?
C55 C60 C68 C58 7.5(11) . . . . ?
C58 C57 C69 C56 169.0(15) . . . . ?
C56 C57 C69 C58 -169.0(15) . . . . ?
C56 C57 C69 C55 -35(3) . . . . ?
C58 C57 C69 C55 134(4) . . . . ?
C56 C57 C69 C59 -157(2) . . . . ?
C58 C57 C69 C59 11.8(9) . . . . ?
C55 C56 C69 C57 -163.2(15) . . . . ?
C73 C56 C69 C57 -173.2(14) . . . . ?
C57 C56 C69 C58 57(7) . . . . ?
C55 C56 C69 C58 -106(8) . . . . ?
C73 C56 C69 C58 -116(7) . . . . ?
C57 C56 C69 C55 163.2(15) . . . . ?
C73 C56 C69 C55 -10.0(14) . . . . ?
C57 C56 C69 C59 146(3) . . . . ?
C55 C56 C69 C59 -17(2) . . . . ?
C73 C56 C69 C59 -27(3) . . . . ?
C59 C58 C69 C57 163.5(13) . . . . ?
C68 C58 C69 C57 169.8(13) . . . . ?
C59 C58 C69 C56 104(8) . . . . ?
C57 C58 C69 C56 -60(7) . . . . ?
C68 C58 C69 C56 110(8) . . . . ?
C59 C58 C69 C55 5.5(11) . . . . ?
C57 C58 C69 C55 -158(2) . . . . ?
C68 C58 C69 C55 11.7(14) . . . . ?
C57 C58 C69 C59 -163.5(13) . . . . ?
C68 C58 C69 C59 6.2(8) . . . . ?
C56 C55 C69 C57 41(4) . . . . ?
C73 C55 C69 C57 51(4) . . . . ?
C70 C55 C69 C57 -133(4) . . . . ?
C60 C55 C69 C57 -130(4) . . . . ?
C54 C55 C69 C57 53(5) . . . . ?
C73 C55 C69 C56 10.0(14) . . . . ?
C70 C55 C69 C56 -174.1(11) . . . . ?
C60 C55 C69 C56 -171.1(11) . . . . ?
C54 C55 C69 C56 12(2) . . . . ?
C56 C55 C69 C58 165.5(19) . . . . ?
C73 C55 C69 C58 175.5(11) . . . . ?
C70 C55 C69 C58 -8.6(14) . . . . ?
C60 C55 C69 C58 -5.6(11) . . . . ?
C54 C55 C69 C58 177.9(10) . . . . ?
C56 C55 C69 C59 169.2(13) . . . . ?
C73 C55 C69 C59 179.2(8) . . . . ?
C70 C55 C69 C59 -4.9(9) . . . . ?
C60 C55 C69 C59 -1.9(5) . . . . ?
C54 C55 C69 C59 -178.4(13) . . . . ?
C67 C60 C70 C45 10(3) . . . . ?
C55 C60 C70 C45 -176.2(17) . . . . ?
C68 C60 C70 C45 24(7) . . . . ?
C67 C60 C70 C55 -174.2(12) . . . . ?
C45 C60 C70 C55 176.2(17) . . . . ?
C68 C60 C70 C55 -159(5) . . . . ?
C45 C60 C70 C67 -10(3) . . . . ?
C55 C60 C70 C67 174.2(12) . . . . ?
C68 C60 C70 C67 15(5) . . . . ?
C67 C60 C70 C52 21(7) . . . . ?
C45 C60 C70 C52 12(5) . . . . ?
C55 C60 C70 C52 -164(6) . . . . ?
C68 C60 C70 C52 36(11) . . . . ?
C67 C60 C70 C59 -17(12) . . . . ?
C45 C60 C70 C59 -27(14) . . . . ?
C55 C60 C70 C59 157(13) . . . . ?
C68 C60 C70 C59 -2(8) . . . . ?
C52 C45 C70 C60 174(2) . . . . ?
C67 C45 C70 C60 -7(2) . . . . ?
Pd3 C45 C70 C60 -14(3) . . . . ?
Pd4 C45 C70 C60 -12(3) . . . . ?
C52 C45 C70 C55 13(6) . . . . ?
C67 C45 C70 C55 -169(7) . . . . ?
C60 C45 C70 C55 -162(8) . . . . ?
Pd3 C45 C70 C55 -175(5) . . . . ?
Pd4 C45 C70 C55 -173(6) . . . . ?
C52 C45 C70 C67 -178.2(8) . . . . ?
C60 C45 C70 C67 7(2) . . . . ?
Pd3 C45 C70 C67 -6.3(15) . . . . ?
Pd4 C45 C70 C67 -4.2(11) . . . . ?
C67 C45 C70 C52 178.2(8) . . . . ?
C60 C45 C70 C52 -174(2) . . . . ?
Pd3 C45 C70 C52 171.9(15) . . . . ?
Pd4 C45 C70 C52 174.0(11) . . . . ?
C52 C45 C70 C59 177.4(7) . . . . ?
C67 C45 C70 C59 -4.4(7) . . . . ?
C60 C45 C70 C59 3.1(17) . . . . ?
Pd3 C45 C70 C59 -10.7(19) . . . . ?
Pd4 C45 C70 C59 -8.6(14) . . . . ?
C56 C55 C70 C60 1(3) . . . . ?
C73 C55 C70 C60 -177.4(17) . . . . ?
C54 C55 C70 C60 -175.2(18) . . . . ?
C69 C55 C70 C60 8(2) . . . . ?
C56 C55 C70 C45 163(6) . . . . ?
C73 C55 C70 C45 -15(7) . . . . ?
C60 C55 C70 C45 162(8) . . . . ?
C54 C55 C70 C45 -13(6) . . . . ?
C69 C55 C70 C45 170(6) . . . . ?
C56 C55 C70 C67 -4(2) . . . . ?
C73 C55 C70 C67 177.5(12) . . . . ?
C60 C55 C70 C67 -5.1(11) . . . . ?
C54 C55 C70 C67 179.7(13) . . . . ?
C69 C55 C70 C67 2.5(16) . . . . ?
C56 C55 C70 C52 174.5(10) . . . . ?
C73 C55 C70 C52 -3.9(17) . . . . ?
C60 C55 C70 C52 174(3) . . . . ?
C54 C55 C70 C52 -1.7(10) . . . . ?
C69 C55 C70 C52 -178.9(8) . . . . ?
C56 C55 C70 C59 -1.6(17) . . . . ?
C73 C55 C70 C59 180.0(10) . . . . ?
C60 C55 C70 C59 -2.6(15) . . . . ?
C54 C55 C70 C59 -177.8(6) . . . . ?
C69 C55 C70 C59 5.0(9) . . . . ?
C59 C67 C70 C60 -3(2) . . . . ?
C68 C67 C70 C60 -8(3) . . . . ?
C45 C67 C70 C60 170(3) . . . . ?
Pd4 C67 C70 C60 174(2) . . . . ?
Pd3 C67 C70 C60 173(2) . . . . ?
C60 C67 C70 C45 -170(3) . . . . ?
C59 C67 C70 C45 -173.2(10) . . . . ?
C68 C67 C70 C45 -178.3(13) . . . . ?
Pd4 C67 C70 C45 4.0(11) . . . . ?
Pd3 C67 C70 C45 3.5(8) . . . . ?
C60 C67 C70 C55 7.1(15) . . . . ?
C59 C67 C70 C55 4.0(15) . . . . ?
C68 C67 C70 C55 -1(2) . . . . ?
C45 C67 C70 C55 177.2(17) . . . . ?
Pd4 C67 C70 C55 -178.8(9) . . . . ?
Pd3 C67 C70 C55 -179.4(10) . . . . ?
C60 C67 C70 C52 -172(3) . . . . ?
C59 C67 C70 C52 -174.7(9) . . . . ?
C68 C67 C70 C52 -179.8(11) . . . . ?
C45 C67 C70 C52 -1.5(6) . . . . ?
Pd4 C67 C70 C52 2.5(14) . . . . ?
Pd3 C67 C70 C52 2.0(12) . . . . ?
C60 C67 C70 C59 3(2) . . . . ?
C68 C67 C70 C59 -5.1(10) . . . . ?
C45 C67 C70 C59 173.2(10) . . . . ?
Pd4 C67 C70 C59 177.2(14) . . . . ?
Pd3 C67 C70 C59 176.6(11) . . . . ?
C45 C52 C70 C60 -15(6) . . . . ?
C53 C52 C70 C60 164(6) . . . . ?
C53 C52 C70 C45 178.9(8) . . . . ?
C45 C52 C70 C55 -177.0(15) . . . . ?
C53 C52 C70 C55 1.8(11) . . . . ?
C45 C52 C70 C67 1.8(8) . . . . ?
C53 C52 C70 C67 -179.4(9) . . . . ?
C45 C52 C70 C59 -5.6(15) . . . . ?
C53 C52 C70 C59 173.3(18) . . . . ?
C53 C54 C72 C73 -178.8(12) . . . . ?
C55 C54 C72 C73 3(3) . . . . ?
C73 C54 C72 C53 178.8(12) . . . . ?
C55 C54 C72 C53 -178(3) . . . . ?
C52 C53 C72 C54 1.1(18) . . . . ?
C54 C53 C72 C73 1.0(10) . . . . ?
C52 C53 C72 C73 2.1(19) . . . . ?
C72 C54 C73 C55 178.6(14) . . . . ?
C55 C54 C73 C72 -178.6(14) . . . . ?
C72 C54 C73 C56 174.4(17) . . . . ?
C55 C54 C73 C56 -4.3(11) . . . . ?
C56 C55 C73 C54 -175.7(11) . . . . ?
C70 C55 C73 C54 3.4(17) . . . . ?
C60 C55 C73 C54 1(2) . . . . ?
C69 C55 C73 C54 178.4(9) . . . . ?
C56 C55 C73 C72 -174.8(14) . . . . ?
C70 C55 C73 C72 4(2) . . . . ?
C60 C55 C73 C72 2(3) . . . . ?
C54 C55 C73 C72 0.9(9) . . . . ?
C69 C55 C73 C72 179.3(11) . . . . ?
C70 C55 C73 C56 179.2(12) . . . . ?
C60 C55 C73 C56 176.8(18) . . . . ?
C54 C55 C73 C56 175.7(11) . . . . ?
C69 C55 C73 C56 -5.9(8) . . . . ?
C53 C72 C73 C54 -1.2(12) . . . . ?
C54 C72 C73 C55 -1.5(15) . . . . ?
C53 C72 C73 C55 -2.7(18) . . . . ?
C54 C72 C73 C56 -18(5) . . . . ?
C53 C72 C73 C56 -19(6) . . . . ?
C69 C56 C73 C54 18(3) . . . . ?
C55 C56 C73 C54 5.4(14) . . . . ?
C69 C56 C73 C55 13.0(18) . . . . ?
C69 C56 C73 C72 32(6) . . . . ?
C55 C56 C73 C72 19(5) . . . . ?


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





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

data_Pdbeta_2a
_database_code_depnum_ccdc_archive 'CCDC 2338609'
loop_
_audit_author_name
_audit_author_address
'Junpei Kuwabara'
;University of Tsukuba
Japan
;
_audit_update_record             
;
2024-03-08 deposited with the CCDC.	2024-06-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT043_Pdbeta_2a           
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..       7.06 Check
RESPONSE: Due to the disorder, the addition of hydrogen atoms has not been possible, resulting in differences in molecular weight.
;
# Added during the CSD deposition process: Friday 08 March 2024 02:58 AM
# end Validation Reply Form


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

_chemical_formula_sum            'C22 H23 F5 N2 Pd'
_chemical_formula_moiety         'C22 H23 F5 N2 Pd'
_chemical_formula_weight         516.83
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   9.3955(19)
_cell_length_b                   14.564(3)
_cell_length_c                   16.547(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.037(3)
_cell_angle_gamma                90.0000
_cell_volume                     2176.2(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4562
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.03
_cell_measurement_temperature    90
#------------------------------------------------------------------------------
_exptl_crystal_description       nONE
_exptl_crystal_colour            nONE
_exptl_crystal_size_max          0.102
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1040.00
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6733
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      90
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12265
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_theta_max         27.218
_diffrn_reflns_theta_min         1.896
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             4818
_reflns_number_gt                3904
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1045
_refine_ls_wR_factor_gt          0.0975
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         4818
_refine_ls_number_parameters     311
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0428P)²+3.6489P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.82762(3) 0.19350(2) 0.56381(2) 0.03028(10) Uani 1 1 d . . . . .
F1 F 0.9079(3) 0.49361(16) 0.39545(16) 0.0563(7) Uani 1 1 d . . . . .
F3 F 0.7578(3) 0.38726(17) 0.47523(16) 0.0502(6) Uani 1 1 d . . . . .
F4 F 1.1485(3) 0.17015(19) 0.53339(18) 0.0589(7) Uani 1 1 d . . . . .
F25 F 1.1820(3) 0.44267(19) 0.38661(18) 0.0676(8) Uani 1 1 d . . . . .
F26 F 1.3001(3) 0.2812(2) 0.4560(2) 0.0739(9) Uani 1 1 d . . . . .
N27 N 0.9102(3) 0.2504(2) 0.68976(18) 0.0294(6) Uani 1 1 d . . . . .
N28 N 0.7002(4) 0.1071(2) 0.6230(2) 0.0464(9) Uani 1 1 d . . . . .
C1 C 0.7511(6) 0.1374(4) 0.4504(3) 0.0284(11) Uani 0.75 1 d . . P . .
C2 C 0.9472(4) 0.2735(2) 0.5080(2) 0.0311(8) Uani 1 1 d . . . . .
C3 C 0.8169(6) 0.0573(4) 0.4246(4) 0.0378(12) Uani 0.75 1 d . . P . .
C4 C 0.7556(7) 0.0185(4) 0.3463(4) 0.0440(13) Uani 0.75 1 d . . P . .
C5 C 0.6270(8) 0.0569(5) 0.2885(5) 0.0371(15) Uani 0.75 1 d . . P . .
C6 C 0.5654(8) 0.0162(5) 0.2075(5) 0.0503(16) Uani 0.75 1 d . . P . .
C7 C 0.4422(8) 0.0553(6) 0.1516(4) 0.0485(16) Uani 0.75 1 d . . P . .
C8 C 0.3784(8) 0.1379(5) 0.1776(4) 0.0487(15) Uani 0.75 1 d . . P . .
C9 C 0.4387(7) 0.1755(4) 0.2568(4) 0.0455(14) Uani 0.75 1 d . . P . .
C10 C 0.5635(6) 0.1360(4) 0.3134(4) 0.0340(12) Uani 0.75 1 d . . P . .
C11 C 0.6273(6) 0.1755(3) 0.3950(3) 0.0297(10) Uani 0.75 1 d . . P . .
C12 C 1.0851(5) 0.2507(3) 0.5009(3) 0.0403(9) Uani 1 1 d . . . . .
C13 C 1.1654(5) 0.3069(3) 0.4610(3) 0.0472(11) Uani 1 1 d . . . . .
C14 C 1.1048(5) 0.3886(3) 0.4270(2) 0.0441(10) Uani 1 1 d . . . . .
C15 C 0.9685(5) 0.4134(3) 0.4313(2) 0.0418(10) Uani 1 1 d . . . . .
C16 C 0.8941(5) 0.3571(3) 0.4722(2) 0.0368(9) Uani 1 1 d . . . . .
C17 C 0.7611(6) 0.1212(3) 0.7150(3) 0.0569(13) Uani 1 1 d . . . . .
H16A H 0.686625 0.104193 0.742827 0.068 Uiso 1 1 calc R U . . .
H16B H 0.845874 0.081297 0.735855 0.068 Uiso 1 1 calc R U . . .
C18 C 0.8065(5) 0.2171(3) 0.7364(3) 0.0485(11) Uani 1 1 d . . . . .
H14A H 0.853760 0.221501 0.796312 0.058 Uiso 1 1 calc R U . . .
H14B H 0.719348 0.255986 0.723413 0.058 Uiso 1 1 calc R U . . .
C19 C 0.7133(8) 0.0088(3) 0.6050(4) 0.0769(18) Uani 1 1 d . . . . .
H21A H 0.815395 -0.009355 0.623681 0.092 Uiso 1 1 calc R U . . .
H21B H 0.656661 -0.026745 0.633966 0.092 Uiso 1 1 calc R U . . .
H21C H 0.676339 -0.001626 0.545559 0.092 Uiso 1 1 calc R U . . .
C20 C 0.5424(6) 0.1345(5) 0.5940(4) 0.0775(18) Uani 1 1 d . . . . .
H17A H 0.533370 0.198528 0.605593 0.093 Uiso 1 1 calc R U . . .
H17B H 0.505702 0.124002 0.534583 0.093 Uiso 1 1 calc R U . . .
H17C H 0.486024 0.098883 0.622990 0.093 Uiso 1 1 calc R U . . .
C21 C 1.0614(5) 0.2196(4) 0.7297(3) 0.0562(12) Uani 1 1 d . . . . .
H12A H 1.064631 0.153734 0.729597 0.067 Uiso 1 1 calc R U . . .
H12B H 1.126629 0.243295 0.699108 0.067 Uiso 1 1 calc R U . . .
H12C H 1.092272 0.241574 0.786571 0.067 Uiso 1 1 calc R U . . .
C22 C 0.9082(6) 0.3513(3) 0.6906(3) 0.0562(13) Uani 1 1 d . . . . .
H7A H 0.809455 0.372687 0.664599 0.067 Uiso 1 1 calc R U . . .
H7B H 0.939641 0.372744 0.747696 0.067 Uiso 1 1 calc R U . . .
H7C H 0.973998 0.374465 0.660233 0.067 Uiso 1 1 calc R U . . .
C23 C 0.702(2) 0.1659(12) 0.4399(12) 0.022(4) Uiso 0.25 1 d . . P . .
C24 C 0.7352(19) 0.0888(12) 0.4047(10) 0.033(3) Uiso 0.25 1 d . . P . .
C25 C 0.653(3) 0.0611(16) 0.3182(12) 0.028(6) Uiso 0.25 1 d . . P . .
C26 C 0.6793(19) -0.0186(12) 0.2789(11) 0.044(4) Uiso 0.25 1 d . . P . .
C27 C 0.5942(19) -0.0379(13) 0.1981(11) 0.038(4) Uiso 0.25 1 d . . P . .
C28 C 0.489(3) 0.0188(18) 0.1612(19) 0.053(7) Uiso 0.25 1 d . . P . .
C29 C 0.440(3) 0.0995(17) 0.1890(15) 0.050(5) Uiso 0.25 1 d . . P . .
C30 C 0.530(2) 0.1275(15) 0.2773(13) 0.037(5) Uiso 0.25 1 d . . P . .
C31 C 0.4980(18) 0.2076(10) 0.3172(10) 0.035(3) Uiso 0.25 1 d . . P . .
C32 C 0.5839(14) 0.2278(9) 0.3994(8) 0.017(2) Uiso 0.25 1 d . . P . .


#==============================================================================
_computing_data_collection       Unknown
_computing_cell_refinement       Unknown
_computing_data_reduction        Unknown
_computing_structure_solution    'SIR2014 (Burla, et al., 2014)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

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

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 1.990(5) . ?
Pd1 C2 2.012(3) . ?
Pd1 C23 2.10(2) . ?
Pd1 N28 2.150(3) . ?
Pd1 N27 2.177(3) . ?
F1 C15 1.362(5) . ?
F3 C16 1.367(5) . ?
F4 C12 1.358(5) . ?
F25 C14 1.364(4) . ?
F26 C13 1.345(5) . ?
N27 C21 1.462(5) . ?
N27 C22 1.470(5) . ?
N27 C18 1.482(5) . ?
N28 C19 1.475(6) . ?
N28 C20 1.481(7) . ?
N28 C17 1.485(6) . ?
C1 C23 0.612(17) . ?
C1 C24 1.017(16) . ?
C1 C11 1.383(8) . ?
C1 C3 1.439(8) . ?
C2 C12 1.373(5) . ?
C2 C16 1.385(5) . ?
C3 C24 0.876(16) . ?
C3 C4 1.385(8) . ?
C3 C23 1.973(19) . ?
C3 C25 2.00(2) . ?
C4 C25 1.14(2) . ?
C4 C26 1.268(19) . ?
C4 C5 1.432(10) . ?
C4 C24 1.456(18) . ?
C5 C26 1.233(18) . ?
C5 C30 1.35(2) . ?
C5 C10 1.411(10) . ?
C5 C6 1.432(11) . ?
C5 C24 1.966(19) . ?
C5 C27 2.00(2) . ?
C6 C27 0.862(17) . ?
C6 C28 0.90(3) . ?
C6 C7 1.390(11) . ?
C6 C26 1.45(2) . ?
C6 C29 1.66(3) . ?
C6 C25 1.90(2) . ?
C7 C28 0.68(2) . ?
C7 C29 0.90(2) . ?
C7 C8 1.461(11) . ?
C7 C27 1.967(19) . ?
C8 C29 0.79(2) . ?
C8 C9 1.388(8) . ?
C8 C30 1.87(2) . ?
C9 C30 1.09(2) . ?
C9 C31 1.105(17) . ?
C9 C10 1.406(9) . ?
C9 C29 1.58(3) . ?
C10 C30 0.606(18) . ?
C10 C31 1.221(16) . ?
C10 C25 1.36(2) . ?
C10 C11 1.438(9) . ?
C10 C32 1.923(15) . ?
C10 C24 2.003(19) . ?
C11 C32 0.877(13) . ?
C11 C23 0.878(19) . ?
C11 C31 1.577(17) . ?
C11 C24 1.600(18) . ?
C11 C30 2.03(2) . ?
C12 C13 1.396(5) . ?
C13 C14 1.371(6) . ?
C14 C15 1.352(6) . ?
C15 C16 1.371(5) . ?
C17 C18 1.474(6) . ?
C17 H16A 0.9700 . ?
C17 H16B 0.9700 . ?
C18 H14A 0.9700 . ?
C18 H14B 0.9700 . ?
C19 H21A 0.9600 . ?
C19 H21B 0.9600 . ?
C19 H21C 0.9600 . ?
C20 H17A 0.9600 . ?
C20 H17B 0.9600 . ?
C20 H17C 0.9600 . ?
C21 H12A 0.9600 . ?
C21 H12B 0.9600 . ?
C21 H12C 0.9600 . ?
C22 H7A 0.9600 . ?
C22 H7B 0.9600 . ?
C22 H7C 0.9600 . ?
C23 C24 1.34(2) . ?
C23 C32 1.44(2) . ?
C24 C25 1.48(2) . ?
C25 C26 1.39(3) . ?
C25 C30 1.51(3) . ?
C26 C27 1.38(3) . ?
C27 C28 1.30(3) . ?
C28 C29 1.39(3) . ?
C29 C30 1.53(3) . ?
C30 C31 1.42(3) . ?
C31 C32 1.41(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
C1 Pd1 C2 84.69(17) . . ?
C1 Pd1 C23 16.9(4) . . ?
C2 Pd1 C23 84.2(4) . . ?
C1 Pd1 N28 95.02(17) . . ?
C2 Pd1 N28 179.58(15) . . ?
C23 Pd1 N28 95.6(4) . . ?
C1 Pd1 N27 178.04(17) . . ?
C2 Pd1 N27 97.01(13) . . ?
C23 Pd1 N27 164.1(5) . . ?
N28 Pd1 N27 83.28(12) . . ?
C21 N27 C22 108.5(4) . . ?
C21 N27 C18 111.1(3) . . ?
C22 N27 C18 108.1(3) . . ?
C21 N27 Pd1 111.1(2) . . ?
C22 N27 Pd1 112.8(2) . . ?
C18 N27 Pd1 105.2(2) . . ?
C19 N28 C20 109.2(4) . . ?
C19 N28 C17 108.2(4) . . ?
C20 N28 C17 111.2(4) . . ?
C19 N28 Pd1 112.8(3) . . ?
C20 N28 Pd1 109.1(3) . . ?
C17 N28 Pd1 106.3(2) . . ?
C23 C1 C24 108(2) . . ?
C23 C1 C11 26.5(18) . . ?
C24 C1 C11 82.1(11) . . ?
C23 C1 C3 145(2) . . ?
C24 C1 C3 37.0(10) . . ?
C11 C1 C3 118.7(5) . . ?
C23 C1 Pd1 92(2) . . ?
C24 C1 Pd1 158.2(11) . . ?
C11 C1 Pd1 118.6(5) . . ?
C3 C1 Pd1 122.7(4) . . ?
C12 C2 C16 114.4(3) . . ?
C12 C2 Pd1 124.0(3) . . ?
C16 C2 Pd1 121.6(3) . . ?
C24 C3 C4 76.5(12) . . ?
C24 C3 C1 44.3(12) . . ?
C4 C3 C1 120.5(5) . . ?
C24 C3 C23 34.3(13) . . ?
C4 C3 C23 110.3(7) . . ?
C1 C3 C23 10.2(6) . . ?
C24 C3 C25 43.1(13) . . ?
C4 C3 C25 33.5(7) . . ?
C1 C3 C25 87.0(8) . . ?
C23 C3 C25 76.9(9) . . ?
C25 C4 C26 70.2(13) . . ?
C25 C4 C3 104.3(11) . . ?
C26 C4 C3 169.9(9) . . ?
C25 C4 C5 17.5(11) . . ?
C26 C4 C5 53.9(9) . . ?
C3 C4 C5 121.4(6) . . ?
C25 C4 C24 68.5(12) . . ?
C26 C4 C24 137.4(12) . . ?
C3 C4 C24 35.8(7) . . ?
C5 C4 C24 85.8(8) . . ?
C26 C5 C30 159.9(15) . . ?
C26 C5 C10 169.2(11) . . ?
C30 C5 C10 25.2(8) . . ?
C26 C5 C4 56.2(9) . . ?
C30 C5 C4 143.2(12) . . ?
C10 C5 C4 118.1(7) . . ?
C26 C5 C6 65.4(10) . . ?
C30 C5 C6 96.0(11) . . ?
C10 C5 C6 121.1(7) . . ?
C4 C5 C6 120.7(7) . . ?
C26 C5 C24 102.7(11) . . ?
C30 C5 C24 95.8(11) . . ?
C10 C5 C24 70.6(7) . . ?
C4 C5 C24 47.6(6) . . ?
C6 C5 C24 168.0(8) . . ?
C26 C5 C27 43.2(10) . . ?
C30 C5 C27 117.7(12) . . ?
C10 C5 C27 142.6(8) . . ?
C4 C5 C27 99.0(7) . . ?
C6 C5 C27 22.2(6) . . ?
C24 C5 C27 145.8(8) . . ?
C27 C6 C28 96(2) . . ?
C27 C6 C7 119.9(15) . . ?
C28 C6 C7 24.2(17) . . ?
C27 C6 C5 118.8(16) . . ?
C28 C6 C5 143.6(19) . . ?
C7 C6 C5 120.1(7) . . ?
C27 C6 C26 68.3(15) . . ?
C28 C6 C26 162(2) . . ?
C7 C6 C26 168.2(9) . . ?
C5 C6 C26 50.7(8) . . ?
C27 C6 C29 151.3(17) . . ?
C28 C6 C29 56.6(18) . . ?
C7 C6 C29 32.7(8) . . ?
C5 C6 C29 87.3(10) . . ?
C26 C6 C29 137.2(12) . . ?
C27 C6 C25 114.6(16) . . ?
C28 C6 C25 147(2) . . ?
C7 C6 C25 124.0(9) . . ?
C5 C6 C25 4.4(9) . . ?
C26 C6 C25 46.5(10) . . ?
C29 C6 C25 91.3(12) . . ?
C28 C7 C29 122(3) . . ?
C28 C7 C6 33(3) . . ?
C29 C7 C6 90.5(17) . . ?
C28 C7 C8 150(3) . . ?
C29 C7 C8 27.8(15) . . ?
C6 C7 C8 118.3(7) . . ?
C28 C7 C27 10(3) . . ?
C29 C7 C27 112.2(18) . . ?
C6 C7 C27 22.3(6) . . ?
C8 C7 C27 139.9(8) . . ?
C29 C8 C9 89(2) . . ?
C29 C8 C7 32.1(19) . . ?
C9 C8 C7 120.6(7) . . ?
C29 C8 C30 53(2) . . ?
C9 C8 C30 35.4(7) . . ?
C7 C8 C30 85.3(8) . . ?
C30 C9 C31 80.3(13) . . ?
C30 C9 C8 97.0(12) . . ?
C31 C9 C8 173.3(10) . . ?
C30 C9 C10 24.1(10) . . ?
C31 C9 C10 56.7(9) . . ?
C8 C9 C10 121.0(7) . . ?
C30 C9 C29 67.1(14) . . ?
C31 C9 C29 147.1(13) . . ?
C8 C9 C29 29.9(8) . . ?
C10 C9 C29 91.1(10) . . ?
C30 C10 C31 96(3) . . ?
C30 C10 C25 92(3) . . ?
C31 C10 C25 171.8(14) . . ?
C30 C10 C9 47(2) . . ?
C31 C10 C9 49.1(8) . . ?
C25 C10 C9 138.7(11) . . ?
C30 C10 C5 72(2) . . ?
C31 C10 C5 166.5(11) . . ?
C25 C10 C5 20.1(8) . . ?
C9 C10 C5 118.8(7) . . ?
C30 C10 C11 168(3) . . ?
C31 C10 C11 72.3(9) . . ?
C25 C10 C11 100.1(10) . . ?
C9 C10 C11 121.2(6) . . ?
C5 C10 C11 120.1(6) . . ?
C30 C10 C32 142(3) . . ?
C31 C10 C32 46.9(9) . . ?
C25 C10 C32 125.4(10) . . ?
C9 C10 C32 95.9(6) . . ?
C5 C10 C32 145.1(7) . . ?
C11 C10 C32 25.4(4) . . ?
C30 C10 C24 139(3) . . ?
C31 C10 C24 124.5(11) . . ?
C25 C10 C24 47.8(10) . . ?
C9 C10 C24 173.2(7) . . ?
C5 C10 C24 67.8(7) . . ?
C11 C10 C24 52.3(6) . . ?
C32 C10 C24 77.7(7) . . ?
C32 C11 C23 110.4(16) . . ?
C32 C11 C1 128.3(10) . . ?
C23 C11 C1 18.1(11) . . ?
C32 C11 C10 110.0(10) . . ?
C23 C11 C10 139.3(13) . . ?
C1 C11 C10 121.2(5) . . ?
C32 C11 C31 62.5(10) . . ?
C23 C11 C31 172.0(13) . . ?
C1 C11 C31 167.7(7) . . ?
C10 C11 C31 47.5(6) . . ?
C32 C11 C24 167.1(12) . . ?
C23 C11 C24 57.1(12) . . ?
C1 C11 C24 39.0(6) . . ?
C10 C11 C24 82.3(7) . . ?
C31 C11 C24 129.7(9) . . ?
C32 C11 C30 106.4(11) . . ?
C23 C11 C30 142.7(14) . . ?
C1 C11 C30 124.6(7) . . ?
C10 C11 C30 3.7(8) . . ?
C31 C11 C30 43.9(8) . . ?
C24 C11 C30 85.8(9) . . ?
F4 C12 C2 119.7(3) . . ?
F4 C12 C13 117.3(4) . . ?
C2 C12 C13 123.0(4) . . ?
F26 C13 C14 120.5(4) . . ?
F26 C13 C12 120.5(4) . . ?
C14 C13 C12 119.1(4) . . ?
C15 C14 F25 120.8(4) . . ?
C15 C14 C13 120.1(4) . . ?
F25 C14 C13 119.1(4) . . ?
C14 C15 F1 119.6(4) . . ?
C14 C15 C16 119.1(4) . . ?
F1 C15 C16 121.3(4) . . ?
F3 C16 C15 115.9(4) . . ?
F3 C16 C2 119.8(3) . . ?
C15 C16 C2 124.3(4) . . ?
C18 C17 N28 112.4(4) . . ?
C18 C17 H16A 109.1 . . ?
N28 C17 H16A 109.1 . . ?
C18 C17 H16B 109.1 . . ?
N28 C17 H16B 109.1 . . ?
H16A C17 H16B 107.8 . . ?
C17 C18 N27 112.0(3) . . ?
C17 C18 H14A 109.2 . . ?
N27 C18 H14A 109.2 . . ?
C17 C18 H14B 109.2 . . ?
N27 C18 H14B 109.2 . . ?
H14A C18 H14B 107.9 . . ?
N28 C19 H21A 109.5 . . ?
N28 C19 H21B 109.5 . . ?
H21A C19 H21B 109.5 . . ?
N28 C19 H21C 109.5 . . ?
H21A C19 H21C 109.5 . . ?
H21B C19 H21C 109.5 . . ?
N28 C20 H17A 109.5 . . ?
N28 C20 H17B 109.5 . . ?
H17A C20 H17B 109.5 . . ?
N28 C20 H17C 109.5 . . ?
H17A C20 H17C 109.5 . . ?
H17B C20 H17C 109.5 . . ?
N27 C21 H12A 109.5 . . ?
N27 C21 H12B 109.5 . . ?
H12A C21 H12B 109.5 . . ?
N27 C21 H12C 109.5 . . ?
H12A C21 H12C 109.5 . . ?
H12B C21 H12C 109.5 . . ?
N27 C22 H7A 109.5 . . ?
N27 C22 H7B 109.5 . . ?
H7A C22 H7B 109.5 . . ?
N27 C22 H7C 109.5 . . ?
H7A C22 H7C 109.5 . . ?
H7B C22 H7C 109.5 . . ?
C1 C23 C11 135(3) . . ?
C1 C23 C24 45.9(16) . . ?
C11 C23 C24 89.6(15) . . ?
C1 C23 C32 169(3) . . ?
C11 C23 C32 34.8(10) . . ?
C24 C23 C32 124.4(17) . . ?
C1 C23 C3 24.6(14) . . ?
C11 C23 C3 110.8(14) . . ?
C24 C23 C3 21.6(9) . . ?
C32 C23 C3 145.1(13) . . ?
C1 C23 Pd1 71(2) . . ?
C11 C23 Pd1 153.5(16) . . ?
C24 C23 Pd1 116.5(15) . . ?
C32 C23 Pd1 119.1(11) . . ?
C3 C23 Pd1 95.6(9) . . ?
C3 C24 C1 98.7(17) . . ?
C3 C24 C23 124(2) . . ?
C1 C24 C23 25.6(10) . . ?
C3 C24 C4 67.6(12) . . ?
C1 C24 C4 164.6(17) . . ?
C23 C24 C4 165.0(16) . . ?
C3 C24 C25 113.1(18) . . ?
C1 C24 C25 146.9(19) . . ?
C23 C24 C25 121.5(18) . . ?
C4 C24 C25 45.5(11) . . ?
C3 C24 C11 156.3(18) . . ?
C1 C24 C11 58.9(9) . . ?
C23 C24 C11 33.3(9) . . ?
C4 C24 C11 133.2(12) . . ?
C25 C24 C11 88.3(13) . . ?
C3 C24 C5 114.0(15) . . ?
C1 C24 C5 145.3(15) . . ?
C23 C24 C5 120.1(14) . . ?
C4 C24 C5 46.6(6) . . ?
C25 C24 C5 2.2(11) . . ?
C11 C24 C5 86.9(8) . . ?
C3 C24 C10 154.5(16) . . ?
C1 C24 C10 104.1(13) . . ?
C23 C24 C10 78.6(12) . . ?
C4 C24 C10 88.2(9) . . ?
C25 C24 C10 42.9(11) . . ?
C11 C24 C10 45.4(5) . . ?
C5 C24 C10 41.6(4) . . ?
C4 C25 C10 154.2(19) . . ?
C4 C25 C26 59.3(13) . . ?
C10 C25 C26 146.1(18) . . ?
C4 C25 C24 66.0(13) . . ?
C10 C25 C24 89.3(14) . . ?
C26 C25 C24 124.4(19) . . ?
C4 C25 C30 172(2) . . ?
C10 C25 C30 23.6(8) . . ?
C26 C25 C30 122.7(18) . . ?
C24 C25 C30 112.9(18) . . ?
C4 C25 C6 107.3(15) . . ?
C10 C25 C6 97.2(12) . . ?
C26 C25 C6 49.3(10) . . ?
C24 C25 C6 173.3(18) . . ?
C30 C25 C6 73.6(12) . . ?
C4 C25 C3 42.2(8) . . ?
C10 C25 C3 112.7(13) . . ?
C26 C25 C3 101.2(15) . . ?
C24 C25 C3 23.8(8) . . ?
C30 C25 C3 136.0(15) . . ?
C6 C25 C3 149.5(14) . . ?
C5 C26 C4 69.9(10) . . ?
C5 C26 C27 99.3(15) . . ?
C4 C26 C27 166.3(17) . . ?
C5 C26 C25 20.4(9) . . ?
C4 C26 C25 50.5(11) . . ?
C27 C26 C25 119.4(18) . . ?
C5 C26 C6 64.0(10) . . ?
C4 C26 C6 132.7(14) . . ?
C27 C26 C6 35.3(9) . . ?
C25 C26 C6 84.3(13) . . ?
C6 C27 C28 43.1(15) . . ?
C6 C27 C26 76.4(17) . . ?
C28 C27 C26 119(2) . . ?
C6 C27 C7 37.7(11) . . ?
C28 C27 C7 5.4(14) . . ?
C26 C27 C7 113.6(14) . . ?
C6 C27 C5 38.9(11) . . ?
C28 C27 C5 81.5(17) . . ?
C26 C27 C5 37.5(9) . . ?
C7 C27 C5 76.2(7) . . ?
C7 C28 C6 123(4) . . ?
C7 C28 C27 164(4) . . ?
C6 C28 C27 41.1(16) . . ?
C7 C28 C29 33(2) . . ?
C6 C28 C29 91(2) . . ?
C27 C28 C29 131(3) . . ?
C8 C29 C7 120(3) . . ?
C8 C29 C28 144(3) . . ?
C7 C29 C28 24.4(16) . . ?
C8 C29 C30 103(3) . . ?
C7 C29 C30 137(3) . . ?
C28 C29 C30 113(2) . . ?
C8 C29 C9 61.5(19) . . ?
C7 C29 C9 178(3) . . ?
C28 C29 C9 154(2) . . ?
C30 C29 C9 41.0(10) . . ?
C8 C29 C6 177(3) . . ?
C7 C29 C6 56.8(15) . . ?
C28 C29 C6 32.7(13) . . ?
C30 C29 C6 80.7(14) . . ?
C9 C29 C6 121.6(15) . . ?
C10 C30 C9 109(3) . . ?
C10 C30 C5 83(3) . . ?
C9 C30 C5 168(2) . . ?
C10 C30 C31 59(2) . . ?
C9 C30 C31 50.3(11) . . ?
C5 C30 C31 141.9(19) . . ?
C10 C30 C25 65(2) . . ?
C9 C30 C25 171(2) . . ?
C5 C30 C25 18.6(8) . . ?
C31 C30 C25 123.6(18) . . ?
C10 C30 C29 175(3) . . ?
C9 C30 C29 71.9(16) . . ?
C5 C30 C29 96.0(16) . . ?
C31 C30 C29 122(2) . . ?
C25 C30 C29 114.3(18) . . ?
C10 C30 C8 156(3) . . ?
C9 C30 C8 47.6(9) . . ?
C5 C30 C8 120.3(14) . . ?
C31 C30 C8 97.7(14) . . ?
C25 C30 C8 138.6(15) . . ?
C29 C30 C8 24.3(10) . . ?
C10 C30 C11 8.7(18) . . ?
C9 C30 C11 100.6(14) . . ?
C5 C30 C11 91.4(12) . . ?
C31 C30 C11 50.6(10) . . ?
C25 C30 C11 73.0(12) . . ?
C29 C30 C11 172.2(18) . . ?
C8 C30 C11 148.2(13) . . ?
C9 C31 C10 74.2(10) . . ?
C9 C31 C32 167.0(16) . . ?
C10 C31 C32 93.8(13) . . ?
C9 C31 C30 49.4(11) . . ?
C10 C31 C30 25.2(9) . . ?
C32 C31 C30 119.0(16) . . ?
C9 C31 C11 134.1(13) . . ?
C10 C31 C11 60.3(8) . . ?
C32 C31 C11 33.6(7) . . ?
C30 C31 C11 85.4(13) . . ?
C11 C32 C31 83.9(12) . . ?
C11 C32 C23 34.8(9) . . ?
C31 C32 C23 118.6(14) . . ?
C11 C32 C10 44.6(8) . . ?
C31 C32 C10 39.3(7) . . ?
C23 C32 C10 79.4(10) . . ?

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
C23 C1 C3 C24 -10(3) . . . . ?
C11 C1 C3 C24 -9.4(15) . . . . ?
Pd1 C1 C3 C24 168.9(15) . . . . ?
C23 C1 C3 C4 -2(3) . . . . ?
C24 C1 C3 C4 8.3(14) . . . . ?
C11 C1 C3 C4 -1.0(7) . . . . ?
Pd1 C1 C3 C4 177.2(4) . . . . ?
C24 C1 C3 C23 10(3) . . . . ?
C11 C1 C3 C23 1(3) . . . . ?
Pd1 C1 C3 C23 179(3) . . . . ?
C23 C1 C3 C25 -4(3) . . . . ?
C24 C1 C3 C25 6.6(16) . . . . ?
C11 C1 C3 C25 -2.8(8) . . . . ?
Pd1 C1 C3 C25 175.5(7) . . . . ?
C24 C3 C4 C25 2.9(17) . . . . ?
C1 C3 C4 C25 -3.1(14) . . . . ?
C23 C3 C4 C25 -3.5(14) . . . . ?
C24 C3 C4 C26 -53(6) . . . . ?
C1 C3 C4 C26 -59(6) . . . . ?
C23 C3 C4 C26 -59(6) . . . . ?
C25 C3 C4 C26 -56(6) . . . . ?
C24 C3 C4 C5 6.7(12) . . . . ?
C1 C3 C4 C5 0.7(8) . . . . ?
C23 C3 C4 C5 0.3(8) . . . . ?
C25 C3 C4 C5 3.8(14) . . . . ?
C1 C3 C4 C24 -6.0(10) . . . . ?
C23 C3 C4 C24 -6.3(11) . . . . ?
C25 C3 C4 C24 -2.9(17) . . . . ?
C25 C4 C5 C26 -157(5) . . . . ?
C3 C4 C5 C26 -169.3(11) . . . . ?
C24 C4 C5 C26 -165.3(12) . . . . ?
C25 C4 C5 C30 16(4) . . . . ?
C26 C4 C5 C30 173(2) . . . . ?
C3 C4 C5 C30 3.3(19) . . . . ?
C24 C4 C5 C30 7.2(18) . . . . ?
C25 C4 C5 C10 12(4) . . . . ?
C26 C4 C5 C10 169.3(11) . . . . ?
C3 C4 C5 C10 0.0(8) . . . . ?
C24 C4 C5 C10 3.9(8) . . . . ?
C25 C4 C5 C6 -168(5) . . . . ?
C26 C4 C5 C6 -11.1(11) . . . . ?
C3 C4 C5 C6 179.7(5) . . . . ?
C24 C4 C5 C6 -176.4(8) . . . . ?
C25 C4 C5 C24 8(5) . . . . ?
C26 C4 C5 C24 165.3(12) . . . . ?
C3 C4 C5 C24 -3.9(7) . . . . ?
C25 C4 C5 C27 -163(5) . . . . ?
C26 C4 C5 C27 -6.0(11) . . . . ?
C3 C4 C5 C27 -175.2(6) . . . . ?
C24 C4 C5 C27 -171.3(8) . . . . ?
C26 C5 C6 C27 3.3(17) . . . . ?
C30 C5 C6 C27 -168.8(17) . . . . ?
C10 C5 C6 C27 -166.9(14) . . . . ?
C4 C5 C6 C27 13.4(16) . . . . ?
C24 C5 C6 C27 1(4) . . . . ?
C26 C5 C6 C28 163(3) . . . . ?
C30 C5 C6 C28 -9(3) . . . . ?
C10 C5 C6 C28 -7(3) . . . . ?
C4 C5 C6 C28 173(3) . . . . ?
C24 C5 C6 C28 161(4) . . . . ?
C27 C5 C6 C28 160(4) . . . . ?
C26 C5 C6 C7 171.1(10) . . . . ?
C30 C5 C6 C7 -1.0(11) . . . . ?
C10 C5 C6 C7 0.8(9) . . . . ?
C4 C5 C6 C7 -178.8(5) . . . . ?
C24 C5 C6 C7 168(3) . . . . ?
C27 C5 C6 C7 167.7(17) . . . . ?
C30 C5 C6 C26 -172.1(13) . . . . ?
C10 C5 C6 C26 -170.2(11) . . . . ?
C4 C5 C6 C26 10.1(10) . . . . ?
C24 C5 C6 C26 -3(3) . . . . ?
C27 C5 C6 C26 -3.3(17) . . . . ?
C26 C5 C6 C29 170.9(12) . . . . ?
C30 C5 C6 C29 -1.2(12) . . . . ?
C10 C5 C6 C29 0.7(9) . . . . ?
C4 C5 C6 C29 -179.0(9) . . . . ?
C24 C5 C6 C29 168(3) . . . . ?
C27 C5 C6 C29 167.6(17) . . . . ?
C26 C5 C6 C25 19(12) . . . . ?
C30 C5 C6 C25 -153(12) . . . . ?
C10 C5 C6 C25 -151(12) . . . . ?
C4 C5 C6 C25 29(11) . . . . ?
C24 C5 C6 C25 16(11) . . . . ?
C27 C5 C6 C25 16(12) . . . . ?
C27 C6 C7 C28 -1(5) . . . . ?
C5 C6 C7 C28 -169(5) . . . . ?
C26 C6 C7 C28 -133(6) . . . . ?
C29 C6 C7 C28 -168(5) . . . . ?
C25 C6 C7 C28 -166(5) . . . . ?
C27 C6 C7 C29 167(2) . . . . ?
C28 C6 C7 C29 168(5) . . . . ?
C5 C6 C7 C29 -0.2(16) . . . . ?
C26 C6 C7 C29 36(5) . . . . ?
C25 C6 C7 C29 2.2(18) . . . . ?
C27 C6 C7 C8 167.5(14) . . . . ?
C28 C6 C7 C8 169(5) . . . . ?
C5 C6 C7 C8 -0.1(8) . . . . ?
C26 C6 C7 C8 36(5) . . . . ?
C29 C6 C7 C8 0.2(15) . . . . ?
C25 C6 C7 C8 2.4(12) . . . . ?
C28 C6 C7 C27 1(5) . . . . ?
C5 C6 C7 C27 -167.6(17) . . . . ?
C26 C6 C7 C27 -132(5) . . . . ?
C29 C6 C7 C27 -167(2) . . . . ?
C25 C6 C7 C27 -165.1(19) . . . . ?
C28 C7 C8 C29 12(6) . . . . ?
C6 C7 C8 C29 0(3) . . . . ?
C27 C7 C8 C29 7(3) . . . . ?
C28 C7 C8 C9 11(5) . . . . ?
C29 C7 C8 C9 0(3) . . . . ?
C6 C7 C8 C9 -0.8(8) . . . . ?
C27 C7 C8 C9 6.5(13) . . . . ?
C28 C7 C8 C30 13(5) . . . . ?
C29 C7 C8 C30 1(3) . . . . ?
C6 C7 C8 C30 0.8(8) . . . . ?
C27 C7 C8 C30 8.1(12) . . . . ?
C29 C8 C9 C30 2(2) . . . . ?
C7 C8 C9 C30 2.7(13) . . . . ?
C29 C8 C9 C10 0.6(19) . . . . ?
C7 C8 C9 C10 0.8(9) . . . . ?
C30 C8 C9 C10 -1.9(12) . . . . ?
C7 C8 C9 C29 0.2(16) . . . . ?
C30 C8 C9 C29 -2(2) . . . . ?
C31 C9 C10 C30 -168(3) . . . . ?
C8 C9 C10 C30 5(3) . . . . ?
C29 C9 C10 C30 5(3) . . . . ?
C30 C9 C10 C31 168(3) . . . . ?
C8 C9 C10 C31 172.6(12) . . . . ?
C29 C9 C10 C31 172.9(13) . . . . ?
C30 C9 C10 C25 -9(3) . . . . ?
C31 C9 C10 C25 -176.7(19) . . . . ?
C8 C9 C10 C25 -4.1(18) . . . . ?
C29 C9 C10 C25 -3.8(18) . . . . ?
C30 C9 C10 C5 -5(3) . . . . ?
C31 C9 C10 C5 -172.6(11) . . . . ?
C8 C9 C10 C5 0.0(8) . . . . ?
C29 C9 C10 C5 0.3(10) . . . . ?
C30 C9 C10 C11 175(3) . . . . ?
C31 C9 C10 C11 6.6(10) . . . . ?
C8 C9 C10 C11 179.2(5) . . . . ?
C29 C9 C10 C11 179.5(9) . . . . ?
C30 C9 C10 C32 172(3) . . . . ?
C31 C9 C10 C32 3.8(10) . . . . ?
C8 C9 C10 C32 176.4(6) . . . . ?
C29 C9 C10 C32 176.7(9) . . . . ?
C26 C5 C10 C30 -129(6) . . . . ?
C4 C5 C10 C30 175(2) . . . . ?
C6 C5 C10 C30 -4(2) . . . . ?
C24 C5 C10 C30 178(2) . . . . ?
C27 C5 C10 C30 -12(3) . . . . ?
C26 C5 C10 C31 -150(6) . . . . ?
C30 C5 C10 C31 -21(4) . . . . ?
C4 C5 C10 C31 154(4) . . . . ?
C6 C5 C10 C31 -25(4) . . . . ?
C24 C5 C10 C31 157(4) . . . . ?
C27 C5 C10 C31 -33(4) . . . . ?
C26 C5 C10 C25 47(6) . . . . ?
C30 C5 C10 C25 176(4) . . . . ?
C4 C5 C10 C25 -9(3) . . . . ?
C6 C5 C10 C25 171(4) . . . . ?
C24 C5 C10 C25 -6(3) . . . . ?
C27 C5 C10 C25 163(4) . . . . ?
C26 C5 C10 C9 -125(6) . . . . ?
C30 C5 C10 C9 4(2) . . . . ?
C4 C5 C10 C9 178.9(5) . . . . ?
C6 C5 C10 C9 -0.8(8) . . . . ?
C24 C5 C10 C9 -178.1(7) . . . . ?
C27 C5 C10 C9 -8.9(13) . . . . ?
C26 C5 C10 C11 55(6) . . . . ?
C30 C5 C10 C11 -176(3) . . . . ?
C4 C5 C10 C11 -0.3(8) . . . . ?
C6 C5 C10 C11 180.0(5) . . . . ?
C24 C5 C10 C11 2.7(6) . . . . ?
C27 C5 C10 C11 171.9(9) . . . . ?
C26 C5 C10 C32 61(6) . . . . ?
C30 C5 C10 C32 -170(3) . . . . ?
C4 C5 C10 C32 5.1(12) . . . . ?
C6 C5 C10 C32 -174.6(8) . . . . ?
C24 C5 C10 C32 8.1(10) . . . . ?
C27 C5 C10 C32 177.3(11) . . . . ?
C26 C5 C10 C24 53(6) . . . . ?
C30 C5 C10 C24 -178(2) . . . . ?
C4 C5 C10 C24 -3.1(6) . . . . ?
C6 C5 C10 C24 177.3(8) . . . . ?
C27 C5 C10 C24 169.2(12) . . . . ?
C23 C1 C11 C32 8(4) . . . . ?
C24 C1 C11 C32 -176.3(14) . . . . ?
C3 C1 C11 C32 -170.6(11) . . . . ?
Pd1 C1 C11 C32 11.0(12) . . . . ?
C24 C1 C11 C23 175(4) . . . . ?
C3 C1 C11 C23 -179(4) . . . . ?
Pd1 C1 C11 C23 3(3) . . . . ?
C23 C1 C11 C10 180(4) . . . . ?
C24 C1 C11 C10 -5.0(10) . . . . ?
C3 C1 C11 C10 0.7(7) . . . . ?
Pd1 C1 C11 C10 -177.6(3) . . . . ?
C23 C1 C11 C31 158(5) . . . . ?
C24 C1 C11 C31 -26(3) . . . . ?
C3 C1 C11 C31 -21(3) . . . . ?
Pd1 C1 C11 C31 161(3) . . . . ?
C23 C1 C11 C24 -175(4) . . . . ?
C3 C1 C11 C24 5.7(9) . . . . ?
Pd1 C1 C11 C24 -172.6(10) . . . . ?
C23 C1 C11 C30 178(4) . . . . ?
C24 C1 C11 C30 -6.5(12) . . . . ?
C3 C1 C11 C30 -0.8(9) . . . . ?
Pd1 C1 C11 C30 -179.1(7) . . . . ?
C30 C10 C11 C32 12(11) . . . . ?
C31 C10 C11 C32 -1.2(12) . . . . ?
C25 C10 C11 C32 175.8(13) . . . . ?
C9 C10 C11 C32 -6.4(11) . . . . ?
C5 C10 C11 C32 172.8(9) . . . . ?
C24 C10 C11 C32 175.9(11) . . . . ?
C30 C10 C11 C23 -160(11) . . . . ?
C31 C10 C11 C23 -173.8(19) . . . . ?
C25 C10 C11 C23 3(2) . . . . ?
C9 C10 C11 C23 -179.0(17) . . . . ?
C5 C10 C11 C23 0.2(19) . . . . ?
C32 C10 C11 C23 -173(2) . . . . ?
C24 C10 C11 C23 3.4(18) . . . . ?
C30 C10 C11 C1 -160(11) . . . . ?
C31 C10 C11 C1 -174.0(9) . . . . ?
C25 C10 C11 C1 3.0(11) . . . . ?
C9 C10 C11 C1 -179.2(5) . . . . ?
C5 C10 C11 C1 0.0(7) . . . . ?
C32 C10 C11 C1 -172.8(11) . . . . ?
C24 C10 C11 C1 3.2(6) . . . . ?
C30 C10 C11 C31 14(11) . . . . ?
C25 C10 C11 C31 177.0(13) . . . . ?
C9 C10 C11 C31 -5.2(8) . . . . ?
C5 C10 C11 C31 174.0(10) . . . . ?
C32 C10 C11 C31 1.2(12) . . . . ?
C24 C10 C11 C31 177.2(10) . . . . ?
C30 C10 C11 C24 -164(11) . . . . ?
C31 C10 C11 C24 -177.2(10) . . . . ?
C25 C10 C11 C24 -0.2(12) . . . . ?
C9 C10 C11 C24 177.6(7) . . . . ?
C5 C10 C11 C24 -3.2(7) . . . . ?
C32 C10 C11 C24 -175.9(11) . . . . ?
C31 C10 C11 C30 -14(11) . . . . ?
C25 C10 C11 C30 163(11) . . . . ?
C9 C10 C11 C30 -19(11) . . . . ?
C5 C10 C11 C30 160(11) . . . . ?
C32 C10 C11 C30 -12(11) . . . . ?
C24 C10 C11 C30 164(11) . . . . ?
C16 C2 C12 F4 -179.8(4) . . . . ?
Pd1 C2 C12 F4 -0.6(6) . . . . ?
C16 C2 C12 C13 0.0(6) . . . . ?
Pd1 C2 C12 C13 179.2(3) . . . . ?
F4 C12 C13 F26 -0.3(6) . . . . ?
C2 C12 C13 F26 179.9(4) . . . . ?
F4 C12 C13 C14 179.6(4) . . . . ?
C2 C12 C13 C14 -0.2(7) . . . . ?
F26 C13 C14 C15 179.1(4) . . . . ?
C12 C13 C14 C15 -0.8(6) . . . . ?
F26 C13 C14 F25 1.1(6) . . . . ?
C12 C13 C14 F25 -178.8(4) . . . . ?
F25 C14 C15 F1 -0.4(6) . . . . ?
C13 C14 C15 F1 -178.4(4) . . . . ?
F25 C14 C15 C16 179.8(3) . . . . ?
C13 C14 C15 C16 1.8(6) . . . . ?
C14 C15 C16 F3 179.0(4) . . . . ?
F1 C15 C16 F3 -0.8(5) . . . . ?
C14 C15 C16 C2 -2.1(6) . . . . ?
F1 C15 C16 C2 178.1(3) . . . . ?
C12 C2 C16 F3 180.0(3) . . . . ?
Pd1 C2 C16 F3 0.7(5) . . . . ?
C12 C2 C16 C15 1.1(6) . . . . ?
Pd1 C2 C16 C15 -178.1(3) . . . . ?
C19 N28 C17 C18 158.0(4) . . . . ?
C20 N28 C17 C18 -82.1(5) . . . . ?
Pd1 N28 C17 C18 36.6(5) . . . . ?
N28 C17 C18 N27 -53.6(6) . . . . ?
C21 N27 C18 C17 -81.0(5) . . . . ?
C22 N27 C18 C17 160.2(4) . . . . ?
Pd1 N27 C18 C17 39.4(4) . . . . ?
C24 C1 C23 C11 -5(4) . . . . ?
C3 C1 C23 C11 2(6) . . . . ?
Pd1 C1 C23 C11 -178(3) . . . . ?
C11 C1 C23 C24 5(4) . . . . ?
C3 C1 C23 C24 6(2) . . . . ?
Pd1 C1 C23 C24 -172.8(13) . . . . ?
C24 C1 C23 C32 -26(13) . . . . ?
C11 C1 C23 C32 -22(10) . . . . ?
C3 C1 C23 C32 -20(15) . . . . ?
Pd1 C1 C23 C32 161(13) . . . . ?
C24 C1 C23 C3 -6(2) . . . . ?
C11 C1 C23 C3 -2(6) . . . . ?
Pd1 C1 C23 C3 -179(3) . . . . ?
C24 C1 C23 Pd1 172.8(13) . . . . ?
C11 C1 C23 Pd1 178(3) . . . . ?
C3 C1 C23 Pd1 179(3) . . . . ?
C32 C11 C23 C1 -173(3) . . . . ?
C10 C11 C23 C1 -1(5) . . . . ?
C24 C11 C23 C1 3(3) . . . . ?
C30 C11 C23 C1 -3(5) . . . . ?
C32 C11 C23 C24 -176.5(11) . . . . ?
C1 C11 C23 C24 -3(3) . . . . ?
C10 C11 C23 C24 -4(2) . . . . ?
C30 C11 C23 C24 -6(2) . . . . ?
C1 C11 C23 C32 173(3) . . . . ?
C10 C11 C23 C32 173(2) . . . . ?
C24 C11 C23 C32 176.5(11) . . . . ?
C30 C11 C23 C32 171(2) . . . . ?
C32 C11 C23 C3 -172.3(10) . . . . ?
C1 C11 C23 C3 1(3) . . . . ?
C10 C11 C23 C3 0(2) . . . . ?
C24 C11 C23 C3 4.2(7) . . . . ?
C30 C11 C23 C3 -2(3) . . . . ?
C32 C11 C23 Pd1 12(4) . . . . ?
C1 C11 C23 Pd1 -175(6) . . . . ?
C10 C11 C23 Pd1 -175.4(18) . . . . ?
C24 C11 C23 Pd1 -171(4) . . . . ?
C30 C11 C23 Pd1 -177.4(19) . . . . ?
C4 C3 C24 C1 -172.6(13) . . . . ?
C23 C3 C24 C1 -3.2(11) . . . . ?
C25 C3 C24 C1 -170(2) . . . . ?
C4 C3 C24 C23 -169.4(19) . . . . ?
C1 C3 C24 C23 3.2(11) . . . . ?
C25 C3 C24 C23 -167(3) . . . . ?
C1 C3 C24 C4 172.6(13) . . . . ?
C23 C3 C24 C4 169.4(19) . . . . ?
C25 C3 C24 C4 2.3(13) . . . . ?
C4 C3 C24 C25 -2.3(13) . . . . ?
C1 C3 C24 C25 170(2) . . . . ?
C23 C3 C24 C25 167(3) . . . . ?
C4 C3 C24 C11 -155(4) . . . . ?
C1 C3 C24 C11 18(3) . . . . ?
C23 C3 C24 C11 15(3) . . . . ?
C25 C3 C24 C11 -152(5) . . . . ?
C4 C3 C24 C5 -4.5(8) . . . . ?
C1 C3 C24 C5 168(2) . . . . ?
C23 C3 C24 C5 165(3) . . . . ?
C25 C3 C24 C5 -2.2(11) . . . . ?
C4 C3 C24 C10 -19(3) . . . . ?
C1 C3 C24 C10 153(4) . . . . ?
C23 C3 C24 C10 150(5) . . . . ?
C25 C3 C24 C10 -17(3) . . . . ?
C23 C1 C24 C3 174(2) . . . . ?
C11 C1 C24 C3 171.7(13) . . . . ?
Pd1 C1 C24 C3 -26(3) . . . . ?
C11 C1 C24 C23 -2.2(18) . . . . ?
C3 C1 C24 C23 -174(2) . . . . ?
Pd1 C1 C24 C23 160(3) . . . . ?
C23 C1 C24 C4 147(6) . . . . ?
C11 C1 C24 C4 145(6) . . . . ?
C3 C1 C24 C4 -27(5) . . . . ?
Pd1 C1 C24 C4 -52(7) . . . . ?
C23 C1 C24 C25 10(4) . . . . ?
C11 C1 C24 C25 8(3) . . . . ?
C3 C1 C24 C25 -164(4) . . . . ?
Pd1 C1 C24 C25 170.6(19) . . . . ?
C23 C1 C24 C11 2.2(18) . . . . ?
C3 C1 C24 C11 -171.7(13) . . . . ?
Pd1 C1 C24 C11 162(2) . . . . ?
C23 C1 C24 C5 13(3) . . . . ?
C11 C1 C24 C5 11(2) . . . . ?
C3 C1 C24 C5 -161(3) . . . . ?
Pd1 C1 C24 C5 173.4(8) . . . . ?
C23 C1 C24 C10 5(2) . . . . ?
C11 C1 C24 C10 3.2(6) . . . . ?
C3 C1 C24 C10 -168.6(18) . . . . ?
Pd1 C1 C24 C10 165.5(19) . . . . ?
C1 C23 C24 C3 -7(2) . . . . ?
C11 C23 C24 C3 169.3(18) . . . . ?
C32 C23 C24 C3 166.9(16) . . . . ?
Pd1 C23 C24 C3 -15(2) . . . . ?
C11 C23 C24 C1 177(3) . . . . ?
C32 C23 C24 C1 174(3) . . . . ?
C3 C23 C24 C1 7(2) . . . . ?
Pd1 C23 C24 C1 -7.6(14) . . . . ?
C1 C23 C24 C4 -146(6) . . . . ?
C11 C23 C24 C4 30(6) . . . . ?
C32 C23 C24 C4 28(7) . . . . ?
C3 C23 C24 C4 -139(7) . . . . ?
Pd1 C23 C24 C4 -154(5) . . . . ?
C1 C23 C24 C25 -173(2) . . . . ?
C11 C23 C24 C25 3(2) . . . . ?
C32 C23 C24 C25 1(3) . . . . ?
C3 C23 C24 C25 -166(3) . . . . ?
Pd1 C23 C24 C25 179.0(14) . . . . ?
C1 C23 C24 C11 -177(3) . . . . ?
C32 C23 C24 C11 -2.4(8) . . . . ?
C3 C23 C24 C11 -169.3(18) . . . . ?
Pd1 C23 C24 C11 175.7(19) . . . . ?
C1 C23 C24 C5 -171(2) . . . . ?
C11 C23 C24 C5 5.3(17) . . . . ?
C32 C23 C24 C5 3(2) . . . . ?
C3 C23 C24 C5 -164(3) . . . . ?
Pd1 C23 C24 C5 -179.0(7) . . . . ?
C1 C23 C24 C10 -175(2) . . . . ?
C11 C23 C24 C10 1.9(10) . . . . ?
C32 C23 C24 C10 -0.5(15) . . . . ?
C3 C23 C24 C10 -167(2) . . . . ?
Pd1 C23 C24 C10 177.6(10) . . . . ?
C25 C4 C24 C3 -177.0(17) . . . . ?
C26 C4 C24 C3 168.1(14) . . . . ?
C5 C4 C24 C3 -174.3(10) . . . . ?
C25 C4 C24 C1 -148(6) . . . . ?
C26 C4 C24 C1 -163(5) . . . . ?
C3 C4 C24 C1 29(5) . . . . ?
C5 C4 C24 C1 -146(6) . . . . ?
C25 C4 C24 C23 -33(6) . . . . ?
C26 C4 C24 C23 -48(6) . . . . ?
C3 C4 C24 C23 144(6) . . . . ?
C5 C4 C24 C23 -30(6) . . . . ?
C26 C4 C24 C25 -15(2) . . . . ?
C3 C4 C24 C25 177.0(17) . . . . ?
C5 C4 C24 C25 2.7(15) . . . . ?
C25 C4 C24 C11 -10.6(17) . . . . ?
C26 C4 C24 C11 -26(2) . . . . ?
C3 C4 C24 C11 166(2) . . . . ?
C5 C4 C24 C11 -7.9(14) . . . . ?
C25 C4 C24 C5 -2.7(15) . . . . ?
C26 C4 C24 C5 -17.6(14) . . . . ?
C3 C4 C24 C5 174.3(10) . . . . ?
C25 C4 C24 C10 -5.1(13) . . . . ?
C26 C4 C24 C10 -20.0(17) . . . . ?
C3 C4 C24 C10 171.9(13) . . . . ?
C5 C4 C24 C10 -2.4(5) . . . . ?
C32 C11 C24 C3 -8(7) . . . . ?
C23 C11 C24 C3 -22(4) . . . . ?
C1 C11 C24 C3 -21(3) . . . . ?
C10 C11 C24 C3 155(4) . . . . ?
C31 C11 C24 C3 152(4) . . . . ?
C30 C11 C24 C3 154(4) . . . . ?
C32 C11 C24 C1 13(5) . . . . ?
C23 C11 C24 C1 -1.7(14) . . . . ?
C10 C11 C24 C1 175.7(9) . . . . ?
C31 C11 C24 C1 173.0(9) . . . . ?
C30 C11 C24 C1 174.7(10) . . . . ?
C32 C11 C24 C23 15(5) . . . . ?
C1 C11 C24 C23 1.7(14) . . . . ?
C10 C11 C24 C23 177.4(14) . . . . ?
C31 C11 C24 C23 174.7(16) . . . . ?
C30 C11 C24 C23 176.4(15) . . . . ?
C32 C11 C24 C4 -155(4) . . . . ?
C23 C11 C24 C4 -170(2) . . . . ?
C1 C11 C24 C4 -168(2) . . . . ?
C10 C11 C24 C4 7.7(13) . . . . ?
C31 C11 C24 C4 5(2) . . . . ?
C30 C11 C24 C4 6.7(15) . . . . ?
C32 C11 C24 C25 -163(5) . . . . ?
C23 C11 C24 C25 -177.2(18) . . . . ?
C1 C11 C24 C25 -175.5(16) . . . . ?
C10 C11 C24 C25 0.2(11) . . . . ?
C31 C11 C24 C25 -2.6(16) . . . . ?
C30 C11 C24 C25 -0.9(12) . . . . ?
C32 C11 C24 C5 -161(4) . . . . ?
C23 C11 C24 C5 -175.4(15) . . . . ?
C1 C11 C24 C5 -173.7(11) . . . . ?
C10 C11 C24 C5 2.0(5) . . . . ?
C31 C11 C24 C5 -0.7(12) . . . . ?
C30 C11 C24 C5 0.9(7) . . . . ?
C32 C11 C24 C10 -163(5) . . . . ?
C23 C11 C24 C10 -177.4(14) . . . . ?
C1 C11 C24 C10 -175.7(9) . . . . ?
C31 C11 C24 C10 -2.7(9) . . . . ?
C30 C11 C24 C10 -1.0(7) . . . . ?
C26 C4 C25 C10 -173(5) . . . . ?
C3 C4 C25 C10 16(5) . . . . ?
C5 C4 C25 C10 -153(9) . . . . ?
C24 C4 C25 C10 18(4) . . . . ?
C3 C4 C25 C26 -171.2(10) . . . . ?
C5 C4 C25 C26 20(4) . . . . ?
C24 C4 C25 C26 -169.4(14) . . . . ?
C26 C4 C25 C24 169.4(14) . . . . ?
C3 C4 C25 C24 -1.8(10) . . . . ?
C5 C4 C25 C24 -171(5) . . . . ?
C26 C4 C25 C6 -11.6(11) . . . . ?
C3 C4 C25 C6 177.3(9) . . . . ?
C5 C4 C25 C6 8(3) . . . . ?
C24 C4 C25 C6 179.1(17) . . . . ?
C26 C4 C25 C3 171.2(10) . . . . ?
C5 C4 C25 C3 -169(4) . . . . ?
C24 C4 C25 C3 1.8(11) . . . . ?
C30 C10 C25 C4 161(5) . . . . ?
C9 C10 C25 C4 167(4) . . . . ?
C5 C10 C25 C4 157(8) . . . . ?
C11 C10 C25 C4 -16(5) . . . . ?
C32 C10 C25 C4 -14(5) . . . . ?
C24 C10 C25 C4 -16(4) . . . . ?
C30 C10 C25 C26 -9(4) . . . . ?
C9 C10 C25 C26 -2(5) . . . . ?
C5 C10 C25 C26 -12.6(15) . . . . ?
C11 C10 C25 C26 175(3) . . . . ?
C32 C10 C25 C26 177(3) . . . . ?
C24 C10 C25 C26 175(4) . . . . ?
C30 C10 C25 C24 177(2) . . . . ?
C9 C10 C25 C24 -177.0(9) . . . . ?
C5 C10 C25 C24 173(4) . . . . ?
C11 C10 C25 C24 0.2(13) . . . . ?
C32 C10 C25 C24 2.4(18) . . . . ?
C9 C10 C25 C30 6(2) . . . . ?
C5 C10 C25 C30 -4(4) . . . . ?
C11 C10 C25 C30 -176(2) . . . . ?
C32 C10 C25 C30 -174(3) . . . . ?
C24 C10 C25 C30 -177(2) . . . . ?
C30 C10 C25 C6 -2(2) . . . . ?
C9 C10 C25 C6 5(2) . . . . ?
C5 C10 C25 C6 -6(2) . . . . ?
C11 C10 C25 C6 -178.0(7) . . . . ?
C32 C10 C25 C6 -175.8(6) . . . . ?
C24 C10 C25 C6 -178.2(18) . . . . ?
C30 C10 C25 C3 172(2) . . . . ?
C9 C10 C25 C3 178.4(6) . . . . ?
C5 C10 C25 C3 168(4) . . . . ?
C11 C10 C25 C3 -4.4(14) . . . . ?
C32 C10 C25 C3 -2.2(19) . . . . ?
C24 C10 C25 C3 -4.6(7) . . . . ?
C3 C24 C25 C4 3.0(17) . . . . ?
C1 C24 C25 C4 165(3) . . . . ?
C23 C24 C25 C4 170.5(17) . . . . ?
C11 C24 C25 C4 172.3(12) . . . . ?
C5 C24 C25 C4 119(28) . . . . ?
C10 C24 C25 C4 172.4(19) . . . . ?
C3 C24 C25 C10 -169.4(15) . . . . ?
C1 C24 C25 C10 -7(3) . . . . ?
C23 C24 C25 C10 -2(2) . . . . ?
C4 C24 C25 C10 -172.4(19) . . . . ?
C11 C24 C25 C10 -0.2(11) . . . . ?
C5 C24 C25 C10 -54(28) . . . . ?
C3 C24 C25 C26 14(3) . . . . ?
C1 C24 C25 C26 176(2) . . . . ?
C23 C24 C25 C26 -178.4(18) . . . . ?
C4 C24 C25 C26 11.1(15) . . . . ?
C11 C24 C25 C26 -177(2) . . . . ?
C5 C24 C25 C26 130(29) . . . . ?
C10 C24 C25 C26 -176(3) . . . . ?
C3 C24 C25 C30 -168.0(17) . . . . ?
C1 C24 C25 C30 -6(4) . . . . ?
C23 C24 C25 C30 -1(3) . . . . ?
C4 C24 C25 C30 -171(2) . . . . ?
C11 C24 C25 C30 1.3(18) . . . . ?
C5 C24 C25 C30 -52(27) . . . . ?
C10 C24 C25 C30 1.4(11) . . . . ?
C1 C24 C25 C3 162(4) . . . . ?
C23 C24 C25 C3 167(3) . . . . ?
C4 C24 C25 C3 -3.0(18) . . . . ?
C11 C24 C25 C3 169.3(19) . . . . ?
C5 C24 C25 C3 116(28) . . . . ?
C10 C24 C25 C3 169.4(15) . . . . ?
C30 C5 C26 C4 -167(4) . . . . ?
C10 C5 C26 C4 -61(6) . . . . ?
C6 C5 C26 C4 169.5(10) . . . . ?
C24 C5 C26 C4 -11.0(9) . . . . ?
C27 C5 C26 C4 171.4(16) . . . . ?
C30 C5 C26 C27 22(4) . . . . ?
C10 C5 C26 C27 127(6) . . . . ?
C4 C5 C26 C27 -171.4(16) . . . . ?
C6 C5 C26 C27 -1.8(9) . . . . ?
C24 C5 C26 C27 177.6(11) . . . . ?
C30 C5 C26 C25 -151(6) . . . . ?
C10 C5 C26 C25 -45(6) . . . . ?
C4 C5 C26 C25 16(3) . . . . ?
C6 C5 C26 C25 -174(4) . . . . ?
C24 C5 C26 C25 5(3) . . . . ?
C27 C5 C26 C25 -173(4) . . . . ?
C30 C5 C26 C6 23(4) . . . . ?
C10 C5 C26 C6 129(6) . . . . ?
C4 C5 C26 C6 -169.5(10) . . . . ?
C24 C5 C26 C6 179.4(7) . . . . ?
C27 C5 C26 C6 1.8(9) . . . . ?
C25 C4 C26 C5 7.2(15) . . . . ?
C3 C4 C26 C5 66(6) . . . . ?
C24 C4 C26 C5 21.9(18) . . . . ?
C25 C4 C26 C27 46(7) . . . . ?
C3 C4 C26 C27 104(8) . . . . ?
C5 C4 C26 C27 39(7) . . . . ?
C24 C4 C26 C27 61(8) . . . . ?
C3 C4 C26 C25 58(6) . . . . ?
C5 C4 C26 C25 -7.2(15) . . . . ?
C24 C4 C26 C25 14.7(19) . . . . ?
C25 C4 C26 C6 20.0(19) . . . . ?
C3 C4 C26 C6 78(6) . . . . ?
C5 C4 C26 C6 12.8(12) . . . . ?
C24 C4 C26 C6 35(3) . . . . ?
C4 C25 C26 C5 -160(4) . . . . ?
C10 C25 C26 C5 14.3(17) . . . . ?
C24 C25 C26 C5 -172(5) . . . . ?
C30 C25 C26 C5 10(2) . . . . ?
C6 C25 C26 C5 5(3) . . . . ?
C3 C25 C26 C5 -166(4) . . . . ?
C10 C25 C26 C4 175(4) . . . . ?
C24 C25 C26 C4 -11.8(16) . . . . ?
C30 C25 C26 C4 170(3) . . . . ?
C6 C25 C26 C4 165.4(14) . . . . ?
C3 C25 C26 C4 -6.0(7) . . . . ?
C4 C25 C26 C27 -168.8(18) . . . . ?
C10 C25 C26 C27 6(4) . . . . ?
C24 C25 C26 C27 179.5(18) . . . . ?
C30 C25 C26 C27 2(3) . . . . ?
C6 C25 C26 C27 -3.4(12) . . . . ?
C3 C25 C26 C27 -174.8(14) . . . . ?
C4 C25 C26 C6 -165.4(14) . . . . ?
C10 C25 C26 C6 9(4) . . . . ?
C24 C25 C26 C6 -177(2) . . . . ?
C30 C25 C26 C6 5(2) . . . . ?
C3 C25 C26 C6 -171.4(11) . . . . ?
C27 C6 C26 C5 -176.9(16) . . . . ?
C28 C6 C26 C5 -147(6) . . . . ?
C7 C6 C26 C5 -41(5) . . . . ?
C29 C6 C26 C5 -13.4(17) . . . . ?
C25 C6 C26 C5 -2.0(12) . . . . ?
C27 C6 C26 C4 170(2) . . . . ?
C28 C6 C26 C4 -160(6) . . . . ?
C7 C6 C26 C4 -54(5) . . . . ?
C5 C6 C26 C4 -13.4(13) . . . . ?
C29 C6 C26 C4 -27(3) . . . . ?
C25 C6 C26 C4 -15.4(15) . . . . ?
C28 C6 C26 C27 30(6) . . . . ?
C7 C6 C26 C27 136(5) . . . . ?
C5 C6 C26 C27 176.9(16) . . . . ?
C29 C6 C26 C27 163.5(19) . . . . ?
C25 C6 C26 C27 174.9(18) . . . . ?
C27 C6 C26 C25 -174.9(18) . . . . ?
C28 C6 C26 C25 -145(6) . . . . ?
C7 C6 C26 C25 -39(5) . . . . ?
C5 C6 C26 C25 2.0(12) . . . . ?
C29 C6 C26 C25 -11(2) . . . . ?
C7 C6 C27 C28 0.5(19) . . . . ?
C5 C6 C27 C28 168(2) . . . . ?
C26 C6 C27 C28 171(2) . . . . ?
C29 C6 C27 C28 15(3) . . . . ?
C25 C6 C27 C28 167(2) . . . . ?
C28 C6 C27 C26 -171(2) . . . . ?
C7 C6 C27 C26 -170.5(10) . . . . ?
C5 C6 C27 C26 -2.8(14) . . . . ?
C29 C6 C27 C26 -156(3) . . . . ?
C25 C6 C27 C26 -4.1(15) . . . . ?
C28 C6 C27 C7 -0.5(19) . . . . ?
C5 C6 C27 C7 167.8(16) . . . . ?
C26 C6 C27 C7 170.5(10) . . . . ?
C29 C6 C27 C7 14(2) . . . . ?
C25 C6 C27 C7 166.5(17) . . . . ?
C28 C6 C27 C5 -168(2) . . . . ?
C7 C6 C27 C5 -167.8(16) . . . . ?
C26 C6 C27 C5 2.8(14) . . . . ?
C29 C6 C27 C5 -154(4) . . . . ?
C25 C6 C27 C5 -1.3(10) . . . . ?
C5 C26 C27 C6 2.9(14) . . . . ?
C4 C26 C27 C6 -34(7) . . . . ?
C25 C26 C27 C6 6(2) . . . . ?
C5 C26 C27 C28 -4(2) . . . . ?
C4 C26 C27 C28 -41(8) . . . . ?
C25 C26 C27 C28 -1(3) . . . . ?
C6 C26 C27 C28 -7.0(16) . . . . ?
C5 C26 C27 C7 -3.5(16) . . . . ?
C4 C26 C27 C7 -40(7) . . . . ?
C25 C26 C27 C7 0(2) . . . . ?
C6 C26 C27 C7 -6.3(7) . . . . ?
C4 C26 C27 C5 -36(6) . . . . ?
C25 C26 C27 C5 3.0(14) . . . . ?
C6 C26 C27 C5 -2.9(14) . . . . ?
C29 C7 C28 C6 -14(6) . . . . ?
C8 C7 C28 C6 -20(8) . . . . ?
C27 C7 C28 C6 -2(10) . . . . ?
C29 C7 C28 C27 -11(15) . . . . ?
C6 C7 C28 C27 2(10) . . . . ?
C8 C7 C28 C27 -18(18) . . . . ?
C6 C7 C28 C29 14(6) . . . . ?
C8 C7 C28 C29 -7(3) . . . . ?
C27 C7 C28 C29 11(15) . . . . ?
C27 C6 C28 C7 179(4) . . . . ?
C5 C6 C28 C7 17(7) . . . . ?
C26 C6 C28 C7 151(4) . . . . ?
C29 C6 C28 C7 7(3) . . . . ?
C25 C6 C28 C7 21(7) . . . . ?
C7 C6 C28 C27 -179(4) . . . . ?
C5 C6 C28 C27 -162(3) . . . . ?
C26 C6 C28 C27 -28(6) . . . . ?
C29 C6 C28 C27 -171.6(18) . . . . ?
C25 C6 C28 C27 -158(4) . . . . ?
C27 C6 C28 C29 171.6(18) . . . . ?
C7 C6 C28 C29 -7(3) . . . . ?
C5 C6 C28 C29 9(4) . . . . ?
C26 C6 C28 C29 144(5) . . . . ?
C25 C6 C28 C29 14(4) . . . . ?
C6 C27 C28 C7 -3(12) . . . . ?
C26 C27 C28 C7 7(14) . . . . ?
C5 C27 C28 C7 4(13) . . . . ?
C26 C27 C28 C6 10(2) . . . . ?
C7 C27 C28 C6 3(12) . . . . ?
C5 C27 C28 C6 7.5(14) . . . . ?
C6 C27 C28 C29 -11(2) . . . . ?
C26 C27 C28 C29 -1(4) . . . . ?
C7 C27 C28 C29 -8(11) . . . . ?
C5 C27 C28 C29 -4(3) . . . . ?
C9 C8 C29 C7 180(3) . . . . ?
C30 C8 C29 C7 -178(4) . . . . ?
C9 C8 C29 C28 175(4) . . . . ?
C7 C8 C29 C28 -5(3) . . . . ?
C30 C8 C29 C28 177(6) . . . . ?
C9 C8 C29 C30 -1.8(15) . . . . ?
C7 C8 C29 C30 178(4) . . . . ?
C7 C8 C29 C9 -180(3) . . . . ?
C30 C8 C29 C9 1.8(15) . . . . ?
C28 C7 C29 C8 -173(4) . . . . ?
C6 C7 C29 C8 180(3) . . . . ?
C27 C7 C29 C8 -175(2) . . . . ?
C6 C7 C29 C28 -7(3) . . . . ?
C8 C7 C29 C28 173(4) . . . . ?
C27 C7 C29 C28 -2(3) . . . . ?
C28 C7 C29 C30 9(5) . . . . ?
C6 C7 C29 C30 2(3) . . . . ?
C8 C7 C29 C30 -178(6) . . . . ?
C27 C7 C29 C30 7(4) . . . . ?
C28 C7 C29 C6 7(3) . . . . ?
C8 C7 C29 C6 -180(3) . . . . ?
C27 C7 C29 C6 5.2(8) . . . . ?
C7 C28 C29 C8 10(5) . . . . ?
C6 C28 C29 C8 179(4) . . . . ?
C27 C28 C29 C8 -174(4) . . . . ?
C6 C28 C29 C7 169(5) . . . . ?
C27 C28 C29 C7 176(5) . . . . ?
C7 C28 C29 C30 -173(4) . . . . ?
C6 C28 C29 C30 -5(3) . . . . ?
C27 C28 C29 C30 3(4) . . . . ?
C7 C28 C29 C9 180(5) . . . . ?
C6 C28 C29 C9 -12(6) . . . . ?
C27 C28 C29 C9 -4(7) . . . . ?
C7 C28 C29 C6 -169(5) . . . . ?
C27 C28 C29 C6 7.4(16) . . . . ?
C30 C9 C29 C8 -177(2) . . . . ?
C31 C9 C29 C8 -168.6(19) . . . . ?
C10 C9 C29 C8 -179.5(16) . . . . ?
C30 C9 C29 C28 10(4) . . . . ?
C31 C9 C29 C28 18(6) . . . . ?
C8 C9 C29 C28 -173(6) . . . . ?
C10 C9 C29 C28 8(5) . . . . ?
C31 C9 C29 C30 9(2) . . . . ?
C8 C9 C29 C30 177(2) . . . . ?
C10 C9 C29 C30 -2.2(13) . . . . ?
C30 C9 C29 C6 2.4(16) . . . . ?
C31 C9 C29 C6 11(3) . . . . ?
C8 C9 C29 C6 180(3) . . . . ?
C10 C9 C29 C6 0.2(14) . . . . ?
C27 C6 C29 C7 -23(4) . . . . ?
C28 C6 C29 C7 -6(2) . . . . ?
C5 C6 C29 C7 179.8(14) . . . . ?
C26 C6 C29 C7 -169.9(14) . . . . ?
C25 C6 C29 C7 -178.1(15) . . . . ?
C27 C6 C29 C28 -18(4) . . . . ?
C7 C6 C29 C28 6(2) . . . . ?
C5 C6 C29 C28 -175(2) . . . . ?
C26 C6 C29 C28 -164(3) . . . . ?
C25 C6 C29 C28 -173(2) . . . . ?
C27 C6 C29 C30 158(3) . . . . ?
C28 C6 C29 C30 176(3) . . . . ?
C7 C6 C29 C30 -179(2) . . . . ?
C5 C6 C29 C30 1.0(11) . . . . ?
C26 C6 C29 C30 11(2) . . . . ?
C25 C6 C29 C30 3.1(13) . . . . ?
C27 C6 C29 C9 156(3) . . . . ?
C28 C6 C29 C9 174(3) . . . . ?
C7 C6 C29 C9 180(3) . . . . ?
C5 C6 C29 C9 -0.5(14) . . . . ?
C26 C6 C29 C9 10(2) . . . . ?
C25 C6 C29 C9 1.5(16) . . . . ?
C31 C10 C30 C9 -9(2) . . . . ?
C25 C10 C30 C9 174(2) . . . . ?
C5 C10 C30 C9 176(3) . . . . ?
C11 C10 C30 C9 -22(12) . . . . ?
C32 C10 C30 C9 -13(5) . . . . ?
C24 C10 C30 C9 178.1(12) . . . . ?
C31 C10 C30 C5 175.2(9) . . . . ?
C25 C10 C30 C5 -1.5(14) . . . . ?
C9 C10 C30 C5 -176(3) . . . . ?
C11 C10 C30 C5 162(10) . . . . ?
C32 C10 C30 C5 171(3) . . . . ?
C24 C10 C30 C5 2(3) . . . . ?
C25 C10 C30 C31 -176.6(14) . . . . ?
C9 C10 C30 C31 9(2) . . . . ?
C5 C10 C30 C31 -175.2(9) . . . . ?
C11 C10 C30 C31 -13(10) . . . . ?
C32 C10 C30 C31 -4(3) . . . . ?
C24 C10 C30 C31 -173(3) . . . . ?
C31 C10 C30 C25 176.6(14) . . . . ?
C9 C10 C30 C25 -174(2) . . . . ?
C5 C10 C30 C25 1.5(14) . . . . ?
C11 C10 C30 C25 164(11) . . . . ?
C32 C10 C30 C25 172(3) . . . . ?
C24 C10 C30 C25 4(3) . . . . ?
C31 C10 C30 C8 -16(7) . . . . ?
C25 C10 C30 C8 167(6) . . . . ?
C9 C10 C30 C8 -7(5) . . . . ?
C5 C10 C30 C8 169(7) . . . . ?
C11 C10 C30 C8 -29(17) . . . . ?
C32 C10 C30 C8 -21(9) . . . . ?
C24 C10 C30 C8 171(4) . . . . ?
C31 C10 C30 C11 13(10) . . . . ?
C25 C10 C30 C11 -164(11) . . . . ?
C9 C10 C30 C11 22(13) . . . . ?
C5 C10 C30 C11 -162(10) . . . . ?
C32 C10 C30 C11 9(8) . . . . ?
C24 C10 C30 C11 -160(13) . . . . ?
C31 C9 C30 C10 10(3) . . . . ?
C8 C9 C30 C10 -176(3) . . . . ?
C29 C9 C30 C10 -175(3) . . . . ?
C31 C9 C30 C5 170(9) . . . . ?
C8 C9 C30 C5 -16(9) . . . . ?
C10 C9 C30 C5 160(12) . . . . ?
C29 C9 C30 C5 -15(9) . . . . ?
C8 C9 C30 C31 173.8(10) . . . . ?
C10 C9 C30 C31 -10(3) . . . . ?
C29 C9 C30 C31 175.2(14) . . . . ?
C31 C9 C30 C29 -175.2(14) . . . . ?
C8 C9 C30 C29 -1.4(11) . . . . ?
C10 C9 C30 C29 175(3) . . . . ?
C31 C9 C30 C8 -173.8(10) . . . . ?
C10 C9 C30 C8 176(3) . . . . ?
C29 C9 C30 C8 1.4(11) . . . . ?
C31 C9 C30 C11 6.8(11) . . . . ?
C8 C9 C30 C11 -179.4(7) . . . . ?
C10 C9 C30 C11 -3.3(19) . . . . ?
C29 C9 C30 C11 -178.0(15) . . . . ?
C26 C5 C30 C10 155(3) . . . . ?
C4 C5 C30 C10 -7(3) . . . . ?
C6 C5 C30 C10 176(2) . . . . ?
C24 C5 C30 C10 -2(2) . . . . ?
C27 C5 C30 C10 171.5(18) . . . . ?
C26 C5 C30 C9 -6(12) . . . . ?
C10 C5 C30 C9 -161(11) . . . . ?
C4 C5 C30 C9 -168(8) . . . . ?
C6 C5 C30 C9 15(9) . . . . ?
C24 C5 C30 C9 -163(9) . . . . ?
C27 C5 C30 C9 10(10) . . . . ?
C26 C5 C30 C31 162(3) . . . . ?
C10 C5 C30 C31 6.7(12) . . . . ?
C4 C5 C30 C31 0(4) . . . . ?
C6 C5 C30 C31 -177(3) . . . . ?
C24 C5 C30 C31 5(3) . . . . ?
C27 C5 C30 C31 178(2) . . . . ?
C26 C5 C30 C25 151(6) . . . . ?
C10 C5 C30 C25 -4(4) . . . . ?
C4 C5 C30 C25 -11(3) . . . . ?
C6 C5 C30 C25 172(4) . . . . ?
C24 C5 C30 C25 -6(3) . . . . ?
C27 C5 C30 C25 167(4) . . . . ?
C26 C5 C30 C29 -20(4) . . . . ?
C10 C5 C30 C29 -175(3) . . . . ?
C4 C5 C30 C29 178.1(12) . . . . ?
C6 C5 C30 C29 1.3(13) . . . . ?
C24 C5 C30 C29 -176.5(12) . . . . ?
C27 C5 C30 C29 -3.5(17) . . . . ?
C26 C5 C30 C8 -20(5) . . . . ?
C10 C5 C30 C8 -175(3) . . . . ?
C4 C5 C30 C8 178.5(8) . . . . ?
C6 C5 C30 C8 1.6(14) . . . . ?
C24 C5 C30 C8 -176.2(13) . . . . ?
C27 C5 C30 C8 -3.2(19) . . . . ?
C26 C5 C30 C11 158(3) . . . . ?
C10 C5 C30 C11 2.7(15) . . . . ?
C4 C5 C30 C11 -4(2) . . . . ?
C6 C5 C30 C11 178.9(6) . . . . ?
C24 C5 C30 C11 1.1(9) . . . . ?
C27 C5 C30 C11 174.1(7) . . . . ?
C26 C25 C30 C10 174(3) . . . . ?
C24 C25 C30 C10 -4(3) . . . . ?
C6 C25 C30 C10 178(2) . . . . ?
C3 C25 C30 C10 -11(3) . . . . ?
C10 C25 C30 C5 175(4) . . . . ?
C26 C25 C30 C5 -10(2) . . . . ?
C24 C25 C30 C5 172(5) . . . . ?
C6 C25 C30 C5 -6(3) . . . . ?
C3 C25 C30 C5 165(5) . . . . ?
C10 C25 C30 C31 3.5(14) . . . . ?
C26 C25 C30 C31 177.8(19) . . . . ?
C24 C25 C30 C31 0(3) . . . . ?
C6 C25 C30 C31 -178.1(19) . . . . ?
C3 C25 C30 C31 -7(3) . . . . ?
C10 C25 C30 C29 -175(3) . . . . ?
C26 C25 C30 C29 0(3) . . . . ?
C24 C25 C30 C29 -178.1(17) . . . . ?
C6 C25 C30 C29 3.9(16) . . . . ?
C3 C25 C30 C29 174.9(18) . . . . ?
C10 C25 C30 C8 -172(4) . . . . ?
C26 C25 C30 C8 2(4) . . . . ?
C24 C25 C30 C8 -175.7(17) . . . . ?
C6 C25 C30 C8 6(2) . . . . ?
C3 C25 C30 C8 177.3(14) . . . . ?
C10 C25 C30 C11 2.6(17) . . . . ?
C26 C25 C30 C11 177(2) . . . . ?
C24 C25 C30 C11 -1.0(14) . . . . ?
C6 C25 C30 C11 -179.0(10) . . . . ?
C3 C25 C30 C11 -8(2) . . . . ?
C8 C29 C30 C9 2(2) . . . . ?
C7 C29 C30 C9 -179(3) . . . . ?
C28 C29 C30 C9 -175(2) . . . . ?
C6 C29 C30 C9 -178.0(14) . . . . ?
C8 C29 C30 C5 179(2) . . . . ?
C7 C29 C30 C5 -3(4) . . . . ?
C28 C29 C30 C5 1(2) . . . . ?
C9 C29 C30 C5 176.9(19) . . . . ?
C6 C29 C30 C5 -1.1(11) . . . . ?
C8 C29 C30 C31 -2(3) . . . . ?
C7 C29 C30 C31 176(3) . . . . ?
C28 C29 C30 C31 -180(2) . . . . ?
C9 C29 C30 C31 -4.4(12) . . . . ?
C6 C29 C30 C31 177.7(18) . . . . ?
C8 C29 C30 C25 176(2) . . . . ?
C7 C29 C30 C25 -6(4) . . . . ?
C28 C29 C30 C25 -2(3) . . . . ?
C9 C29 C30 C25 174(2) . . . . ?
C6 C29 C30 C25 -4.3(18) . . . . ?
C7 C29 C30 C8 178(5) . . . . ?
C28 C29 C30 C8 -178(4) . . . . ?
C9 C29 C30 C8 -2(2) . . . . ?
C6 C29 C30 C8 180(3) . . . . ?
C29 C8 C30 C10 -168(8) . . . . ?
C9 C8 C30 C10 9(6) . . . . ?
C7 C8 C30 C10 -168(7) . . . . ?
C29 C8 C30 C9 -177(3) . . . . ?
C7 C8 C30 C9 -177.7(11) . . . . ?
C29 C8 C30 C5 -1(2) . . . . ?
C9 C8 C30 C5 176(2) . . . . ?
C7 C8 C30 C5 -1.6(14) . . . . ?
C29 C8 C30 C31 178(3) . . . . ?
C9 C8 C30 C31 -4.8(8) . . . . ?
C7 C8 C30 C31 177.5(12) . . . . ?
C29 C8 C30 C25 -5(3) . . . . ?
C9 C8 C30 C25 171(3) . . . . ?
C7 C8 C30 C25 -6(2) . . . . ?
C9 C8 C30 C29 177(3) . . . . ?
C7 C8 C30 C29 -1(2) . . . . ?
C29 C8 C30 C11 -176(3) . . . . ?
C9 C8 C30 C11 1.2(14) . . . . ?
C7 C8 C30 C11 -176(2) . . . . ?
C30 C9 C31 C10 -4.9(13) . . . . ?
C29 C9 C31 C10 -13(2) . . . . ?
C30 C9 C31 C32 -29(7) . . . . ?
C10 C9 C31 C32 -24(6) . . . . ?
C29 C9 C31 C32 -37(8) . . . . ?
C10 C9 C31 C30 4.9(13) . . . . ?
C29 C9 C31 C30 -8(2) . . . . ?
C30 C9 C31 C11 -12.1(19) . . . . ?
C10 C9 C31 C11 -7.1(11) . . . . ?
C29 C9 C31 C11 -20(3) . . . . ?
C30 C10 C31 C9 9(2) . . . . ?
C5 C10 C31 C9 29(4) . . . . ?
C11 C10 C31 C9 -174.1(9) . . . . ?
C32 C10 C31 C9 -174.8(14) . . . . ?
C24 C10 C31 C9 -176.8(7) . . . . ?
C30 C10 C31 C32 -176(2) . . . . ?
C9 C10 C31 C32 174.8(14) . . . . ?
C5 C10 C31 C32 -156(3) . . . . ?
C11 C10 C31 C32 0.7(7) . . . . ?
C24 C10 C31 C32 -2.0(14) . . . . ?
C9 C10 C31 C30 -9(2) . . . . ?
C5 C10 C31 C30 20(4) . . . . ?
C11 C10 C31 C30 177(2) . . . . ?
C32 C10 C31 C30 176(2) . . . . ?
C24 C10 C31 C30 174(3) . . . . ?
C30 C10 C31 C11 -177(2) . . . . ?
C9 C10 C31 C11 174.1(9) . . . . ?
C5 C10 C31 C11 -157(4) . . . . ?
C32 C10 C31 C11 -0.7(7) . . . . ?
C24 C10 C31 C11 -2.7(9) . . . . ?
C10 C30 C31 C9 -169(3) . . . . ?
C5 C30 C31 C9 -177(3) . . . . ?
C25 C30 C31 C9 -172(3) . . . . ?
C29 C30 C31 C9 5.4(15) . . . . ?
C8 C30 C31 C9 4.6(7) . . . . ?
C11 C30 C31 C9 -171.3(14) . . . . ?
C9 C30 C31 C10 169(3) . . . . ?
C5 C30 C31 C10 -7.8(14) . . . . ?
C25 C30 C31 C10 -3.6(15) . . . . ?
C29 C30 C31 C10 174(4) . . . . ?
C8 C30 C31 C10 173(3) . . . . ?
C11 C30 C31 C10 -3(2) . . . . ?
C10 C30 C31 C32 4(3) . . . . ?
C9 C30 C31 C32 172.9(17) . . . . ?
C5 C30 C31 C32 -4(4) . . . . ?
C25 C30 C31 C32 0(3) . . . . ?
C29 C30 C31 C32 178.3(16) . . . . ?
C8 C30 C31 C32 177.5(11) . . . . ?
C11 C30 C31 C32 1.6(10) . . . . ?
C10 C30 C31 C11 3(2) . . . . ?
C9 C30 C31 C11 171.3(14) . . . . ?
C5 C30 C31 C11 -5(3) . . . . ?
C25 C30 C31 C11 -1(2) . . . . ?
C29 C30 C31 C11 176.7(18) . . . . ?
C8 C30 C31 C11 175.9(9) . . . . ?
C32 C11 C31 C9 -173(2) . . . . ?
C1 C11 C31 C9 33(4) . . . . ?
C10 C11 C31 C9 7.9(13) . . . . ?
C24 C11 C31 C9 12(2) . . . . ?
C30 C11 C31 C9 9.2(14) . . . . ?
C32 C11 C31 C10 178.7(12) . . . . ?
C1 C11 C31 C10 25(3) . . . . ?
C24 C11 C31 C10 3.7(12) . . . . ?
C30 C11 C31 C10 1.2(10) . . . . ?
C1 C11 C31 C32 -154(3) . . . . ?
C10 C11 C31 C32 -178.7(12) . . . . ?
C24 C11 C31 C32 -175.0(13) . . . . ?
C30 C11 C31 C32 -177.5(15) . . . . ?
C32 C11 C31 C30 177.5(15) . . . . ?
C1 C11 C31 C30 24(4) . . . . ?
C10 C11 C31 C30 -1.2(10) . . . . ?
C24 C11 C31 C30 2.4(15) . . . . ?
C23 C11 C32 C31 175.9(14) . . . . ?
C1 C11 C32 C31 173.1(8) . . . . ?
C10 C11 C32 C31 1.0(10) . . . . ?
C24 C11 C32 C31 163(4) . . . . ?
C30 C11 C32 C31 1.8(11) . . . . ?
C1 C11 C32 C23 -2.7(12) . . . . ?
C10 C11 C32 C23 -174.9(15) . . . . ?
C31 C11 C32 C23 -175.9(14) . . . . ?
C24 C11 C32 C23 -13(4) . . . . ?
C30 C11 C32 C23 -174.0(15) . . . . ?
C23 C11 C32 C10 174.9(15) . . . . ?
C1 C11 C32 C10 172.1(12) . . . . ?
C31 C11 C32 C10 -1.0(10) . . . . ?
C24 C11 C32 C10 162(5) . . . . ?
C30 C11 C32 C10 0.8(7) . . . . ?
C9 C31 C32 C11 22(7) . . . . ?
C10 C31 C32 C11 -1.1(11) . . . . ?
C30 C31 C32 C11 -2.9(17) . . . . ?
C9 C31 C32 C23 24(7) . . . . ?
C10 C31 C32 C23 1.6(16) . . . . ?
C30 C31 C32 C23 0(2) . . . . ?
C11 C31 C32 C23 2.7(9) . . . . ?
C9 C31 C32 C10 23(6) . . . . ?
C30 C31 C32 C10 -1.8(11) . . . . ?
C11 C31 C32 C10 1.1(11) . . . . ?
C1 C23 C32 C11 27(12) . . . . ?
C24 C23 C32 C11 4.2(14) . . . . ?
C3 C23 C32 C11 12.6(17) . . . . ?
Pd1 C23 C32 C11 -173.9(19) . . . . ?
C1 C23 C32 C31 22(13) . . . . ?
C11 C23 C32 C31 -4.7(16) . . . . ?
C24 C23 C32 C31 0(2) . . . . ?
C3 C23 C32 C31 8(3) . . . . ?
Pd1 C23 C32 C31 -178.6(10) . . . . ?
C1 C23 C32 C10 23(13) . . . . ?
C11 C23 C32 C10 -3.7(11) . . . . ?
C24 C23 C32 C10 0.5(15) . . . . ?
C3 C23 C32 C10 8.9(19) . . . . ?
Pd1 C23 C32 C10 -177.5(10) . . . . ?


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





#==============================================================================
#     End of CIF
#==============================================================================
