# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_Pd7Sn4
_database_code_depnum_ccdc_archive 'CCDC 2087548'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-07-28 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C80 H13 N10 Pd7 Sn4'
_chemical_formula_moiety         'C80 H13 N10 Pd7 Sn4'
_chemical_formula_weight         2333.61
_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                   14.2023(2)
_cell_length_b                   26.2964(4)
_cell_length_c                   12.15252(17)
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.3571(13)
_cell_angle_gamma                90.0000
_cell_volume                     4525.48(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    51156
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      31.36
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2170.00
_exptl_absorpt_coefficient_mu    2.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_T_max  0.780

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

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            86268
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_theta_max         31.217
_diffrn_reflns_theta_min         1.633
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             13860
_reflns_number_gt                12503
_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          0.0275
_refine_ls_R_factor_gt           0.0231
_refine_ls_wR_factor_ref         0.0571
_refine_ls_wR_factor_gt          0.0551
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         13860
_refine_ls_number_parameters     414
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0278P)²+5.0139P] 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          0.004
_refine_diff_density_max         1.16
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sn Sn -0.6537 1.4246
;
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
Sn1 Sn 0.42776(2) 0.43350(2) 0.13049(2) 0.01626(3) Uani 1 1 d . . . . .
Sn2 Sn 0.34261(2) 0.54971(2) 0.01436(2) 0.01558(3) Uani 1 1 d . . . . .
Pd1 Pd 0.500000 0.500000 0.000000 0.01210(4) Uani 1 2 d S . P . .
Pd2 Pd 0.66824(2) 0.54773(2) 0.07820(2) 0.01413(3) Uani 1 1 d . . . . .
Pd3 Pd 0.57870(2) 0.48457(2) 0.21252(2) 0.01549(3) Uani 1 1 d . . . . .
Pd4 Pd 0.50213(2) 0.59340(2) 0.10580(2) 0.01484(3) Uani 1 1 d . . . . .
N1 N 0.86331(14) 0.58050(8) -0.00202(17) 0.0272(4) Uani 1 1 d . . . . .
N2 N 0.76471(13) 0.52566(7) 0.32589(15) 0.0225(4) Uani 1 1 d . . . . .
N3 N 0.54555(14) 0.42527(7) 0.42696(15) 0.0238(4) Uani 1 1 d . . . . .
N4 N 0.36966(13) 0.68442(7) 0.14430(15) 0.0225(4) Uani 1 1 d . . . . .
N5 N 0.68254(13) 0.66170(7) 0.14760(16) 0.0231(4) Uani 1 1 d . . . . .
C1 C 0.79448(15) 0.56450(8) 0.02876(17) 0.0211(4) Uani 1 1 d . . . . .
C2 C 0.94255(19) 0.60569(12) -0.0468(2) 0.0403(6) Uani 1 1 d . . . . .
C3 C 0.9025(3) 0.64703(16) -0.1241(3) 0.0734(13) Uani 1 1 d . . . . .
H3A H 0.953247 0.664628 -0.155525 0.088 Uiso 1 1 calc R U . . .
H3B H 0.862033 0.631942 -0.182085 0.088 Uiso 1 1 calc R U . . .
H3C H 0.866795 0.670636 -0.083683 0.088 Uiso 1 1 calc R U . . .
C4 C 1.0035(2) 0.62828(14) 0.0482(3) 0.0528(8) Uani 1 1 d . . . . .
H4A H 1.056628 0.645225 0.020311 0.063 Uiso 1 1 calc R U . . .
H4B H 0.967132 0.652285 0.086737 0.063 Uiso 1 1 calc R U . . .
H4C H 1.025435 0.601681 0.097802 0.063 Uiso 1 1 calc R U . . .
C5 C 0.9947(3) 0.56598(19) -0.1089(4) 0.0830(15) Uani 1 1 d . . . . .
H5A H 1.047911 0.581405 -0.139839 0.100 Uiso 1 1 calc R U . . .
H5B H 1.016123 0.539333 -0.059110 0.100 Uiso 1 1 calc R U . . .
H5C H 0.952958 0.552012 -0.167044 0.100 Uiso 1 1 calc R U . . .
C6 C 0.70424(15) 0.51963(8) 0.25592(17) 0.0198(4) Uani 1 1 d . . . . .
C7 C 0.85315(17) 0.55108(9) 0.3635(2) 0.0283(5) Uani 1 1 d . . . . .
C8 C 0.8436(2) 0.60693(10) 0.3324(3) 0.0412(7) Uani 1 1 d . . . . .
H8A H 0.900787 0.624528 0.356221 0.049 Uiso 1 1 calc R U . . .
H8B H 0.832306 0.609979 0.253799 0.049 Uiso 1 1 calc R U . . .
H8C H 0.791705 0.621558 0.367560 0.049 Uiso 1 1 calc R U . . .
C9 C 0.93211(18) 0.52609(12) 0.3057(3) 0.0402(6) Uani 1 1 d . . . . .
H9A H 0.991081 0.542059 0.328965 0.048 Uiso 1 1 calc R U . . .
H9B H 0.935140 0.490616 0.324321 0.048 Uiso 1 1 calc R U . . .
H9C H 0.920060 0.529786 0.227337 0.048 Uiso 1 1 calc R U . . .
C10 C 0.8686(2) 0.54452(13) 0.4880(2) 0.0458(7) Uani 1 1 d . . . . .
H10A H 0.926402 0.560976 0.514134 0.055 Uiso 1 1 calc R U . . .
H10B H 0.816861 0.559494 0.522761 0.055 Uiso 1 1 calc R U . . .
H10C H 0.872429 0.508955 0.505590 0.055 Uiso 1 1 calc R U . . .
C11 C 0.55777(15) 0.44533(8) 0.34503(17) 0.0209(4) Uani 1 1 d . . . . .
C12 C 0.53263(17) 0.40705(8) 0.53770(17) 0.0221(4) Uani 1 1 d . . . . .
C13 C 0.56965(19) 0.35300(9) 0.5467(2) 0.0302(5) Uani 1 1 d . . . . .
H13A H 0.561851 0.340106 0.619309 0.036 Uiso 1 1 calc R U . . .
H13B H 0.535119 0.332022 0.492981 0.036 Uiso 1 1 calc R U . . .
H13C H 0.635414 0.352648 0.533342 0.036 Uiso 1 1 calc R U . . .
C14 C 0.42747(17) 0.40945(10) 0.5548(2) 0.0300(5) Uani 1 1 d . . . . .
H14A H 0.417033 0.397568 0.627566 0.036 Uiso 1 1 calc R U . . .
H14B H 0.405871 0.443928 0.546525 0.036 Uiso 1 1 calc R U . . .
H14C H 0.393285 0.388360 0.501046 0.036 Uiso 1 1 calc R U . . .
C15 C 0.58880(18) 0.44212(9) 0.61762(19) 0.0288(5) Uani 1 1 d . . . . .
H15A H 0.581910 0.431196 0.691956 0.035 Uiso 1 1 calc R U . . .
H15B H 0.654283 0.441043 0.603121 0.035 Uiso 1 1 calc R U . . .
H15C H 0.565676 0.476272 0.608238 0.035 Uiso 1 1 calc R U . . .
C16 C 0.63621(14) 0.62451(8) 0.13120(16) 0.0189(4) Uani 1 1 d . . . . .
C17 C 0.67762(18) 0.71502(9) 0.1793(2) 0.0293(5) Uani 1 1 d . . . . .
C18 C 0.6278(3) 0.71670(12) 0.2871(2) 0.0583(10) Uani 1 1 d . . . . .
H18A H 0.622993 0.751336 0.310993 0.070 Uiso 1 1 calc R U . . .
H18B H 0.565648 0.702419 0.274735 0.070 Uiso 1 1 calc R U . . .
H18C H 0.663484 0.697405 0.342798 0.070 Uiso 1 1 calc R U . . .
C19 C 0.6175(2) 0.74341(10) 0.0917(2) 0.0383(6) Uani 1 1 d . . . . .
H19A H 0.613935 0.778601 0.111956 0.046 Uiso 1 1 calc R U . . .
H19B H 0.645226 0.740593 0.022283 0.046 Uiso 1 1 calc R U . . .
H19C H 0.555163 0.729086 0.085043 0.046 Uiso 1 1 calc R U . . .
C20 C 0.7755(3) 0.73600(12) 0.1931(4) 0.0735(14) Uani 1 1 d . . . . .
H20A H 0.773093 0.771152 0.213948 0.088 Uiso 1 1 calc R U . . .
H20B H 0.811658 0.717271 0.249434 0.088 Uiso 1 1 calc R U . . .
H20C H 0.804773 0.733046 0.124679 0.088 Uiso 1 1 calc R U . . .
C21 C 0.41850(15) 0.64985(8) 0.13378(16) 0.0194(4) Uani 1 1 d . . . . .
C22 C 0.30720(16) 0.72787(8) 0.15081(19) 0.0241(4) Uani 1 1 d . . . . .
C23 C 0.22306(19) 0.71109(11) 0.2111(3) 0.0381(6) Uani 1 1 d . . . . .
H23A H 0.180513 0.739192 0.216544 0.046 Uiso 1 1 calc R U . . .
H23B H 0.191089 0.683850 0.171134 0.046 Uiso 1 1 calc R U . . .
H23C H 0.244229 0.699603 0.283762 0.046 Uiso 1 1 calc R U . . .
C24 C 0.2781(2) 0.74438(10) 0.0331(2) 0.0338(5) Uani 1 1 d . . . . .
H24A H 0.236610 0.773162 0.034383 0.041 Uiso 1 1 calc R U . . .
H24B H 0.333272 0.753534 -0.003396 0.041 Uiso 1 1 calc R U . . .
H24C H 0.246088 0.716878 -0.005838 0.041 Uiso 1 1 calc R U . . .
C25 C 0.3614(2) 0.76991(9) 0.2138(2) 0.0333(5) Uani 1 1 d . . . . .
H25A H 0.321311 0.799053 0.219023 0.040 Uiso 1 1 calc R U . . .
H25B H 0.381588 0.758132 0.286555 0.040 Uiso 1 1 calc R U . . .
H25C H 0.415641 0.779088 0.175517 0.040 Uiso 1 1 calc R U . . .
C26 C 0.4569(2) 0.35269(9) 0.1471(2) 0.0315(5) Uani 1 1 d . . . . .
H26A H 0.507035 0.343665 0.102117 0.038 Uiso 1 1 calc R U . . .
H26B H 0.475406 0.344948 0.222901 0.038 Uiso 1 1 calc R U . . .
H26C H 0.401173 0.333742 0.123735 0.038 Uiso 1 1 calc R U . . .
C27 C 0.31462(17) 0.43396(10) 0.24338(19) 0.0294(5) Uani 1 1 d . . . . .
H27A H 0.290150 0.467832 0.248649 0.035 Uiso 1 1 calc R U . . .
H27B H 0.264945 0.411521 0.215892 0.035 Uiso 1 1 calc R U . . .
H27C H 0.339179 0.422727 0.315058 0.035 Uiso 1 1 calc R U . . .
C28 C 0.27305(17) 0.60315(9) -0.1020(2) 0.0286(5) Uani 1 1 d . . . . .
H28A H 0.311041 0.607876 -0.163269 0.034 Uiso 1 1 calc R U . . .
H28B H 0.212398 0.589958 -0.128157 0.034 Uiso 1 1 calc R U . . .
H28C H 0.265037 0.635167 -0.065965 0.034 Uiso 1 1 calc R U . . .
C29 C 0.23442(16) 0.55146(9) 0.1328(2) 0.0269(5) Uani 1 1 d . . . . .
H29A H 0.252495 0.529295 0.193486 0.032 Uiso 1 1 calc R U . . .
H29B H 0.227928 0.585536 0.159509 0.032 Uiso 1 1 calc R U . . .
H29C H 0.175289 0.540327 0.097317 0.032 Uiso 1 1 calc R U . . .
C30 C 0.1693(4) 0.6072(2) 0.5874(6) 0.0336(11) Uiso 0.5 1 d . . P . .
C31 C 0.1198(4) 0.6420(2) 0.6434(4) 0.0308(10) Uiso 0.5 1 d . . P . .
C32 C 0.0616(5) 0.6780(3) 0.5928(6) 0.0370(14) Uiso 0.5 1 d . . P . .
C33 C 0.0544(5) 0.6789(3) 0.4731(6) 0.0387(16) Uiso 0.5 1 d . . P . .
C34 C 0.1001(5) 0.6439(3) 0.4128(6) 0.0373(16) Uiso 0.5 1 d . . P . .
C35 C 0.1571(5) 0.6083(3) 0.4703(7) 0.0466(16) Uiso 0.5 1 d . . P . .
C36 C -0.0255(7) 0.7220(4) 0.4734(8) 0.072(2) Uiso 0.5 1 d . . P . .
C37 C -0.0058(7) 0.7230(4) 0.4214(9) 0.073(2) Uiso 0.5 1 d . . P . .
C38 C 0.0849(5) 0.6563(3) 0.4210(5) 0.0309(14) Uiso 0.5 1 d . . P . .
C39 C 0.0458(5) 0.6799(3) 0.5066(6) 0.0370(15) Uiso 0.5 1 d . . P . .
C40 C 0.0761(7) 0.6621(4) 0.6084(8) 0.066(3) Uiso 0.5 1 d . . P . .
C41 C 0.1428(6) 0.6230(4) 0.6238(7) 0.0542(17) Uiso 0.5 1 d . . P . .
C42 C 0.1788(5) 0.5989(3) 0.5353(7) 0.0457(14) Uiso 0.5 1 d . . P . .
C43 C 0.1507(5) 0.6157(3) 0.4285(6) 0.0399(14) Uiso 0.5 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_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
Sn1 C26 2.171(2) . ?
Sn1 C27 2.191(2) . ?
Sn1 Pd1 2.62149(13) . ?
Sn1 Pd3 2.6587(2) . ?
Sn1 Pd2 2.82997(19) 3_665 ?
Sn1 Pd4 3.1893(2) 3_665 ?
Sn2 C28 2.177(2) . ?
Sn2 C29 2.184(2) . ?
Sn2 Pd1 2.60675(13) . ?
Sn2 Pd4 2.7027(2) . ?
Sn2 Pd2 2.7980(2) 3_665 ?
Sn2 Pd3 3.18305(19) 3_665 ?
Pd1 Pd3 2.76503(15) 3_665 ?
Pd1 Pd3 2.76509(15) . ?
Pd1 Pd4 2.77124(15) 3_665 ?
Pd1 Pd4 2.77128(15) . ?
Pd1 Pd2 2.80050(15) . ?
Pd1 Pd2 2.80054(15) 3_665 ?
Pd2 C1 1.983(2) . ?
Pd2 C16 2.178(2) . ?
Pd2 C6 2.303(2) . ?
Pd2 Pd4 2.6907(2) . ?
Pd2 Pd3 2.7121(2) . ?
Pd3 C11 1.954(2) . ?
Pd3 C6 2.040(2) . ?
Pd4 C21 1.947(2) . ?
Pd4 C16 2.074(2) . ?
N1 C1 1.153(3) . ?
N1 C2 1.447(3) . ?
N2 C6 1.173(3) . ?
N2 C7 1.465(3) . ?
N3 C11 1.151(3) . ?
N3 C12 1.453(3) . ?
N4 C21 1.156(3) . ?
N4 C22 1.452(3) . ?
N5 C16 1.187(3) . ?
N5 C17 1.457(3) . ?
C2 C4 1.511(4) . ?
C2 C5 1.514(5) . ?
C2 C3 1.519(5) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C7 C9 1.517(4) . ?
C7 C8 1.520(4) . ?
C7 C10 1.521(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C12 C13 1.516(3) . ?
C12 C15 1.521(3) . ?
C12 C14 1.525(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 C20 1.494(4) . ?
C17 C19 1.510(4) . ?
C17 C18 1.536(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C22 C23 1.514(3) . ?
C22 C25 1.520(3) . ?
C22 C24 1.521(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C42 0.692(7) . ?
C30 C41 0.732(9) . ?
C30 C31 1.367(8) . ?
C30 C35 1.420(10) . ?
C30 C43 1.941(9) . ?
C30 C40 1.988(12) . ?
C31 C41 0.652(9) . ?
C31 C40 0.897(10) . ?
C31 C32 1.372(9) . ?
C31 C42 1.969(9) . ?
C32 C39 1.055(9) . ?
C32 C33 1.450(10) . ?
C32 C41 1.872(11) . ?
C33 C38 0.992(9) . ?
C33 C34 1.370(10) . ?
C33 C37 1.545(12) . ?
C33 C36 1.605(12) . ?
C33 C40 1.709(13) . ?
C34 C43 1.040(9) . ?
C34 C35 1.392(11) . ?
C34 C39 1.710(10) . ?
C35 C43 0.545(9) . ?
C35 C42 0.861(9) . ?
C35 C38 1.707(11) . ?
C35 C41 1.931(12) . ?
C36 C37 0.712(12) . ?
C36 C39 1.535(12) . ?
C37 C39 1.667(12) . ?
C38 C39 1.365(9) . ?
C38 C43 1.417(9) . ?
C39 C40 1.362(13) . ?
C40 C41 1.401(13) . ?
C41 C42 1.380(11) . ?
C42 C43 1.399(10) . ?

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
C26 Sn1 C27 95.21(10) . . ?
C26 Sn1 Pd1 128.94(7) . . ?
C27 Sn1 Pd1 135.61(7) . . ?
C26 Sn1 Pd3 108.47(7) . . ?
C27 Sn1 Pd3 111.80(7) . . ?
Pd1 Sn1 Pd3 63.153(4) . . ?
C26 Sn1 Pd2 109.24(7) . 3_665 ?
C27 Sn1 Pd2 103.53(6) . 3_665 ?
Pd1 Sn1 Pd2 61.684(4) . 3_665 ?
Pd3 Sn1 Pd2 124.599(6) . 3_665 ?
C26 Sn1 Pd4 78.26(7) . 3_665 ?
C27 Sn1 Pd4 149.21(7) . 3_665 ?
Pd1 Sn1 Pd4 55.944(4) . 3_665 ?
Pd3 Sn1 Pd4 98.721(6) . 3_665 ?
Pd2 Sn1 Pd4 52.694(5) 3_665 3_665 ?
C28 Sn2 C29 96.15(9) . . ?
C28 Sn2 Pd1 129.01(7) . . ?
C29 Sn2 Pd1 134.79(7) . . ?
C28 Sn2 Pd4 108.52(7) . . ?
C29 Sn2 Pd4 109.26(6) . . ?
Pd1 Sn2 Pd4 62.896(4) . . ?
C28 Sn2 Pd2 108.76(7) . 3_665 ?
C29 Sn2 Pd2 105.32(6) . 3_665 ?
Pd1 Sn2 Pd2 62.299(4) . 3_665 ?
Pd4 Sn2 Pd2 124.987(6) . 3_665 ?
C28 Sn2 Pd3 77.99(7) . 3_665 ?
C29 Sn2 Pd3 152.57(6) . 3_665 ?
Pd1 Sn2 Pd3 55.992(4) . 3_665 ?
Pd4 Sn2 Pd3 97.936(6) . 3_665 ?
Pd2 Sn2 Pd3 53.458(5) 3_665 3_665 ?
Sn2 Pd1 Sn2 180.0 3_665 . ?
Sn2 Pd1 Sn1 94.758(4) 3_665 . ?
Sn2 Pd1 Sn1 85.240(4) . . ?
Sn2 Pd1 Sn1 85.240(4) 3_665 3_665 ?
Sn2 Pd1 Sn1 94.762(5) . 3_665 ?
Sn1 Pd1 Sn1 180.0 . 3_665 ?
Sn2 Pd1 Pd3 107.391(4) 3_665 3_665 ?
Sn2 Pd1 Pd3 72.609(5) . 3_665 ?
Sn1 Pd1 Pd3 120.919(4) . 3_665 ?
Sn1 Pd1 Pd3 59.081(4) 3_665 3_665 ?
Sn2 Pd1 Pd3 72.607(4) 3_665 . ?
Sn2 Pd1 Pd3 107.392(4) . . ?
Sn1 Pd1 Pd3 59.080(4) . . ?
Sn1 Pd1 Pd3 120.920(4) 3_665 . ?
Pd3 Pd1 Pd3 180.0 3_665 . ?
Sn2 Pd1 Pd4 60.243(4) 3_665 3_665 ?
Sn2 Pd1 Pd4 119.755(4) . 3_665 ?
Sn1 Pd1 Pd4 72.453(4) . 3_665 ?
Sn1 Pd1 Pd4 107.545(4) 3_665 3_665 ?
Pd3 Pd1 Pd4 72.978(4) 3_665 3_665 ?
Pd3 Pd1 Pd4 107.020(4) . 3_665 ?
Sn2 Pd1 Pd4 119.757(4) 3_665 . ?
Sn2 Pd1 Pd4 60.245(4) . . ?
Sn1 Pd1 Pd4 107.546(4) . . ?
Sn1 Pd1 Pd4 72.455(4) 3_665 . ?
Pd3 Pd1 Pd4 107.023(4) 3_665 . ?
Pd3 Pd1 Pd4 72.979(4) . . ?
Pd4 Pd1 Pd4 180.0 3_665 . ?
Sn2 Pd1 Pd2 62.204(5) 3_665 . ?
Sn2 Pd1 Pd2 117.798(4) . . ?
Sn1 Pd1 Pd2 117.178(4) . . ?
Sn1 Pd1 Pd2 62.822(4) 3_665 . ?
Pd3 Pd1 Pd2 121.679(4) 3_665 . ?
Pd3 Pd1 Pd2 58.322(4) . . ?
Pd4 Pd1 Pd2 122.251(4) 3_665 . ?
Pd4 Pd1 Pd2 57.749(4) . . ?
Sn2 Pd1 Pd2 117.797(4) 3_665 3_665 ?
Sn2 Pd1 Pd2 62.202(4) . 3_665 ?
Sn1 Pd1 Pd2 62.823(4) . 3_665 ?
Sn1 Pd1 Pd2 117.177(4) 3_665 3_665 ?
Pd3 Pd1 Pd2 58.321(4) 3_665 3_665 ?
Pd3 Pd1 Pd2 121.679(4) . 3_665 ?
Pd4 Pd1 Pd2 57.750(4) 3_665 3_665 ?
Pd4 Pd1 Pd2 122.250(4) . 3_665 ?
Pd2 Pd1 Pd2 180.0 . 3_665 ?
C1 Pd2 C16 95.59(8) . . ?
C1 Pd2 C6 102.36(8) . . ?
C16 Pd2 C6 93.25(7) . . ?
C1 Pd2 Pd4 139.45(6) . . ?
C16 Pd2 Pd4 49.05(5) . . ?
C6 Pd2 Pd4 99.24(5) . . ?
C1 Pd2 Pd3 142.60(6) . . ?
C16 Pd2 Pd3 105.77(5) . . ?
C6 Pd2 Pd3 47.15(5) . . ?
Pd4 Pd2 Pd3 75.088(6) . . ?
C1 Pd2 Sn2 96.04(6) . 3_665 ?
C16 Pd2 Sn2 164.07(5) . 3_665 ?
C6 Pd2 Sn2 94.85(5) . 3_665 ?
Pd4 Pd2 Sn2 115.898(6) . 3_665 ?
Pd3 Pd2 Sn2 70.553(6) . 3_665 ?
C1 Pd2 Pd1 139.86(6) . . ?
C16 Pd2 Pd1 108.90(5) . . ?
C6 Pd2 Pd1 107.29(5) . . ?
Pd4 Pd2 Pd1 60.581(4) . . ?
Pd3 Pd2 Pd1 60.186(4) . . ?
Sn2 Pd2 Pd1 55.499(4) 3_665 . ?
C1 Pd2 Sn1 94.29(6) . 3_665 ?
C16 Pd2 Sn1 90.36(5) . 3_665 ?
C6 Pd2 Sn1 162.52(5) . 3_665 ?
Pd4 Pd2 Sn1 70.529(6) . 3_665 ?
Pd3 Pd2 Sn1 115.479(6) . 3_665 ?
Sn2 Pd2 Sn1 77.955(5) 3_665 3_665 ?
Pd1 Pd2 Sn1 55.494(4) . 3_665 ?
C11 Pd3 C6 102.14(9) . . ?
C11 Pd3 Sn1 82.73(6) . . ?
C6 Pd3 Sn1 171.46(6) . . ?
C11 Pd3 Pd2 157.97(6) . . ?
C6 Pd3 Pd2 55.84(6) . . ?
Sn1 Pd3 Pd2 119.026(6) . . ?
C11 Pd3 Pd1 140.45(6) . . ?
C6 Pd3 Pd1 117.29(6) . . ?
Sn1 Pd3 Pd1 57.766(4) . . ?
Pd2 Pd3 Pd1 61.492(4) . . ?
C11 Pd3 Sn2 130.51(6) . 3_665 ?
C6 Pd3 Sn2 89.69(6) . 3_665 ?
Sn1 Pd3 Sn2 81.850(5) . 3_665 ?
Pd2 Pd3 Sn2 55.988(5) . 3_665 ?
Pd1 Pd3 Sn2 51.399(4) . 3_665 ?
C21 Pd4 C16 103.80(8) . . ?
C21 Pd4 Pd2 156.09(6) . . ?
C16 Pd4 Pd2 52.47(6) . . ?
C21 Pd4 Sn2 83.83(6) . . ?
C16 Pd4 Sn2 163.81(6) . . ?
Pd2 Pd4 Sn2 118.331(7) . . ?
C21 Pd4 Pd1 140.48(6) . . ?
C16 Pd4 Pd1 113.34(6) . . ?
Pd2 Pd4 Pd1 61.670(5) . . ?
Sn2 Pd4 Pd1 56.859(4) . . ?
C21 Pd4 Sn1 124.24(6) . 3_665 ?
C16 Pd4 Sn1 82.85(6) . 3_665 ?
Pd2 Pd4 Sn1 56.778(5) . 3_665 ?
Sn2 Pd4 Sn1 81.074(5) . 3_665 ?
Pd1 Pd4 Sn1 51.601(3) . 3_665 ?
C1 N1 C2 172.8(3) . . ?
C6 N2 C7 148.4(2) . . ?
C11 N3 C12 171.8(2) . . ?
C21 N4 C22 176.8(2) . . ?
C16 N5 C17 143.1(2) . . ?
N1 C1 Pd2 171.1(2) . . ?
N1 C2 C4 108.0(2) . . ?
N1 C2 C5 107.2(3) . . ?
C4 C2 C5 112.2(3) . . ?
N1 C2 C3 107.1(3) . . ?
C4 C2 C3 110.9(3) . . ?
C5 C2 C3 111.1(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 Pd3 145.70(18) . . ?
N2 C6 Pd2 137.29(17) . . ?
Pd3 C6 Pd2 77.01(7) . . ?
N2 C7 C9 107.7(2) . . ?
N2 C7 C8 107.75(19) . . ?
C9 C7 C8 111.0(2) . . ?
N2 C7 C10 108.3(2) . . ?
C9 C7 C10 110.8(2) . . ?
C8 C7 C10 111.1(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 Pd3 175.4(2) . . ?
N3 C12 C13 107.94(18) . . ?
N3 C12 C15 107.12(19) . . ?
C13 C12 C15 111.1(2) . . ?
N3 C12 C14 107.84(18) . . ?
C13 C12 C14 111.5(2) . . ?
C15 C12 C14 111.08(19) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C16 Pd4 147.24(18) . . ?
N5 C16 Pd2 133.46(17) . . ?
Pd4 C16 Pd2 78.48(7) . . ?
N5 C17 C20 108.8(2) . . ?
N5 C17 C19 109.0(2) . . ?
C20 C17 C19 111.6(3) . . ?
N5 C17 C18 106.7(2) . . ?
C20 C17 C18 112.3(3) . . ?
C19 C17 C18 108.3(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 Pd4 176.01(19) . . ?
N4 C22 C23 107.75(19) . . ?
N4 C22 C25 108.14(19) . . ?
C23 C22 C25 110.9(2) . . ?
N4 C22 C24 107.26(19) . . ?
C23 C22 C24 111.7(2) . . ?
C25 C22 C24 110.9(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Sn1 C26 H26A 109.5 . . ?
Sn1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Sn1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Sn1 C27 H27A 109.5 . . ?
Sn1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Sn1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Sn2 C28 H28A 109.5 . . ?
Sn2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Sn2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Sn2 C29 H29A 109.5 . . ?
Sn2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Sn2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C42 C30 C41 151.3(14) . . ?
C42 C30 C31 144.0(10) . . ?
C41 C30 C31 8.5(8) . . ?
C42 C30 C35 26.9(8) . . ?
C41 C30 C35 124.5(10) . . ?
C31 C30 C35 117.2(5) . . ?
C42 C30 C43 31.6(8) . . ?
C41 C30 C43 120.0(9) . . ?
C31 C30 C43 112.4(4) . . ?
C35 C30 C43 5.5(4) . . ?
C42 C30 C40 121.6(9) . . ?
C41 C30 C40 29.8(8) . . ?
C31 C30 C40 22.6(4) . . ?
C35 C30 C40 94.7(5) . . ?
C43 C30 C40 90.1(4) . . ?
C41 C31 C40 128.9(13) . . ?
C41 C31 C30 9.6(9) . . ?
C40 C31 C30 121.5(9) . . ?
C41 C31 C32 132.0(11) . . ?
C40 C31 C32 7.8(8) . . ?
C30 C31 C32 123.7(5) . . ?
C41 C31 C42 20.8(9) . . ?
C40 C31 C42 109.7(8) . . ?
C30 C31 C42 11.9(3) . . ?
C32 C31 C42 111.8(5) . . ?
C39 C32 C31 123.5(7) . . ?
C39 C32 C33 8.4(6) . . ?
C31 C32 C33 117.0(6) . . ?
C39 C32 C41 108.5(7) . . ?
C31 C32 C41 15.0(4) . . ?
C33 C32 C41 102.1(5) . . ?
C38 C33 C34 7.4(6) . . ?
C38 C33 C32 129.0(8) . . ?
C34 C33 C32 121.7(6) . . ?
C38 C33 C37 116.4(8) . . ?
C34 C33 C37 123.8(8) . . ?
C32 C33 C37 114.5(7) . . ?
C38 C33 C36 140.2(9) . . ?
C34 C33 C36 147.1(8) . . ?
C32 C33 C36 90.3(6) . . ?
C37 C33 C36 26.0(4) . . ?
C38 C33 C40 113.8(7) . . ?
C34 C33 C40 106.4(6) . . ?
C32 C33 C40 15.6(4) . . ?
C37 C33 C40 129.8(8) . . ?
C36 C33 C40 104.9(7) . . ?
C43 C34 C33 136.8(8) . . ?
C43 C34 C35 20.0(5) . . ?
C33 C34 C35 117.7(7) . . ?
C43 C34 C39 127.7(7) . . ?
C33 C34 C39 10.2(4) . . ?
C35 C34 C39 108.2(6) . . ?
C43 C35 C42 168.3(18) . . ?
C43 C35 C34 40.6(11) . . ?
C42 C35 C34 143.8(10) . . ?
C43 C35 C30 160.0(15) . . ?
C42 C35 C30 21.3(6) . . ?
C34 C35 C30 122.6(7) . . ?
C43 C35 C38 49.8(11) . . ?
C42 C35 C38 134.2(9) . . ?
C34 C35 C38 9.6(4) . . ?
C30 C35 C38 113.0(6) . . ?
C43 C35 C41 143.7(14) . . ?
C42 C35 C41 39.5(6) . . ?
C34 C35 C41 104.5(6) . . ?
C30 C35 C41 18.2(3) . . ?
C38 C35 C41 95.0(5) . . ?
C37 C36 C39 87.8(14) . . ?
C37 C36 C33 72.2(13) . . ?
C39 C36 C33 15.7(3) . . ?
C36 C37 C33 81.7(13) . . ?
C36 C37 C39 67.0(13) . . ?
C33 C37 C39 15.0(3) . . ?
C33 C38 C39 11.0(6) . . ?
C33 C38 C43 136.8(8) . . ?
C39 C38 C43 126.7(6) . . ?
C33 C38 C35 120.0(7) . . ?
C39 C38 C35 109.7(5) . . ?
C43 C38 C35 17.1(3) . . ?
C32 C39 C40 18.9(6) . . ?
C32 C39 C38 131.9(8) . . ?
C40 C39 C38 114.7(7) . . ?
C32 C39 C36 112.4(8) . . ?
C40 C39 C36 130.1(8) . . ?
C38 C39 C36 115.2(7) . . ?
C32 C39 C37 134.3(8) . . ?
C40 C39 C37 153.2(8) . . ?
C38 C39 C37 91.1(6) . . ?
C36 C39 C37 25.3(4) . . ?
C32 C39 C34 124.3(7) . . ?
C40 C39 C34 106.7(7) . . ?
C38 C39 C34 8.1(4) . . ?
C36 C39 C34 123.1(7) . . ?
C37 C39 C34 99.2(6) . . ?
C31 C40 C39 142.4(11) . . ?
C31 C40 C41 21.2(6) . . ?
C39 C40 C41 122.5(9) . . ?
C31 C40 C33 132.5(10) . . ?
C39 C40 C33 9.9(4) . . ?
C41 C40 C33 112.9(8) . . ?
C31 C40 C30 35.9(6) . . ?
C39 C40 C30 107.5(7) . . ?
C41 C40 C30 15.1(4) . . ?
C33 C40 C30 97.9(6) . . ?
C31 C41 C30 161.9(16) . . ?
C31 C41 C42 149.5(12) . . ?
C30 C41 C42 13.9(7) . . ?
C31 C41 C40 29.9(8) . . ?
C30 C41 C40 135.1(11) . . ?
C42 C41 C40 121.3(8) . . ?
C31 C41 C32 33.0(8) . . ?
C30 C41 C32 130.8(10) . . ?
C42 C41 C32 117.2(6) . . ?
C40 C41 C32 5.8(5) . . ?
C31 C41 C35 126.7(11) . . ?
C30 C41 C35 37.3(7) . . ?
C42 C41 C35 23.4(4) . . ?
C40 C41 C35 97.9(6) . . ?
C32 C41 C35 93.9(5) . . ?
C30 C42 C35 131.8(13) . . ?
C30 C42 C41 14.8(7) . . ?
C35 C42 C41 117.1(9) . . ?
C30 C42 C43 133.3(10) . . ?
C35 C42 C43 4.5(7) . . ?
C41 C42 C43 118.8(7) . . ?
C30 C42 C31 24.1(7) . . ?
C35 C42 C31 107.8(8) . . ?
C41 C42 C31 9.7(4) . . ?
C43 C42 C31 109.3(5) . . ?
C35 C43 C34 119.4(15) . . ?
C35 C43 C42 7.1(11) . . ?
C34 C43 C42 122.7(8) . . ?
C35 C43 C38 113.1(13) . . ?
C34 C43 C38 7.3(6) . . ?
C42 C43 C38 116.0(6) . . ?
C35 C43 C30 14.5(11) . . ?
C34 C43 C30 107.8(6) . . ?
C42 C43 C30 15.0(3) . . ?
C38 C43 C30 101.0(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 N2 C6 Pd3 -176.5(3) . . . . ?
C7 N2 C6 Pd2 2.3(6) . . . . ?
C6 N2 C7 C9 -75.3(5) . . . . ?
C6 N2 C7 C8 44.5(5) . . . . ?
C6 N2 C7 C10 164.8(4) . . . . ?
C17 N5 C16 Pd4 13.4(6) . . . . ?
C17 N5 C16 Pd2 178.1(2) . . . . ?
C16 N5 C17 C20 174.0(4) . . . . ?
C16 N5 C17 C19 -64.1(4) . . . . ?
C16 N5 C17 C18 52.7(4) . . . . ?
C42 C30 C31 C41 152(6) . . . . ?
C35 C30 C31 C41 150(5) . . . . ?
C43 C30 C31 C41 153(5) . . . . ?
C40 C30 C31 C41 143(6) . . . . ?
C42 C30 C31 C40 9(2) . . . . ?
C41 C30 C31 C40 -143(6) . . . . ?
C35 C30 C31 C40 7.5(12) . . . . ?
C43 C30 C31 C40 10.5(11) . . . . ?
C42 C30 C31 C32 0.6(19) . . . . ?
C41 C30 C31 C32 -152(5) . . . . ?
C35 C30 C31 C32 -1.4(9) . . . . ?
C43 C30 C31 C32 1.6(8) . . . . ?
C40 C30 C31 C32 -8.9(10) . . . . ?
C41 C30 C31 C42 -152(6) . . . . ?
C35 C30 C31 C42 -2.0(14) . . . . ?
C43 C30 C31 C42 1.1(14) . . . . ?
C40 C30 C31 C42 -9(2) . . . . ?
C41 C31 C32 C39 -0.8(18) . . . . ?
C40 C31 C32 C39 -71(6) . . . . ?
C30 C31 C32 C39 5.3(11) . . . . ?
C42 C31 C32 C39 5.4(10) . . . . ?
C41 C31 C32 C33 -7.0(16) . . . . ?
C40 C31 C32 C33 -77(6) . . . . ?
C30 C31 C32 C33 -0.9(9) . . . . ?
C42 C31 C32 C33 -0.8(7) . . . . ?
C40 C31 C32 C41 -70(6) . . . . ?
C30 C31 C32 C41 6.1(12) . . . . ?
C42 C31 C32 C41 6.2(12) . . . . ?
C39 C32 C33 C38 -140(4) . . . . ?
C31 C32 C33 C38 1.7(12) . . . . ?
C41 C32 C33 C38 -0.2(11) . . . . ?
C39 C32 C33 C34 -139(4) . . . . ?
C31 C32 C33 C34 3.0(10) . . . . ?
C41 C32 C33 C34 1.1(8) . . . . ?
C39 C32 C33 C37 43(4) . . . . ?
C31 C32 C33 C37 -175.3(6) . . . . ?
C41 C32 C33 C37 -177.2(6) . . . . ?
C39 C32 C33 C36 33(4) . . . . ?
C31 C32 C33 C36 174.8(6) . . . . ?
C41 C32 C33 C36 173.0(5) . . . . ?
C39 C32 C33 C40 -127(4) . . . . ?
C31 C32 C33 C40 15.0(16) . . . . ?
C41 C32 C33 C40 13.1(17) . . . . ?
C38 C33 C34 C43 162(5) . . . . ?
C32 C33 C34 C43 -9.7(15) . . . . ?
C37 C33 C34 C43 168.5(10) . . . . ?
C36 C33 C34 C43 -174.6(11) . . . . ?
C40 C33 C34 C43 -13.1(13) . . . . ?
C38 C33 C34 C35 169(5) . . . . ?
C32 C33 C34 C35 -2.5(10) . . . . ?
C37 C33 C34 C35 175.7(7) . . . . ?
C36 C33 C34 C35 -167.4(11) . . . . ?
C40 C33 C34 C35 -5.8(9) . . . . ?
C38 C33 C34 C39 -168(5) . . . . ?
C32 C33 C34 C39 20(2) . . . . ?
C37 C33 C34 C39 -162(3) . . . . ?
C36 C33 C34 C39 -145(3) . . . . ?
C40 C33 C34 C39 16(2) . . . . ?
C33 C34 C35 C43 -165.4(17) . . . . ?
C39 C34 C35 C43 -169.4(17) . . . . ?
C43 C34 C35 C42 163(3) . . . . ?
C33 C34 C35 C42 -2.8(19) . . . . ?
C39 C34 C35 C42 -6.8(18) . . . . ?
C43 C34 C35 C30 165(2) . . . . ?
C33 C34 C35 C30 0.0(11) . . . . ?
C39 C34 C35 C30 -4.0(9) . . . . ?
C43 C34 C35 C38 161(3) . . . . ?
C33 C34 C35 C38 -5(2) . . . . ?
C39 C34 C35 C38 -9(2) . . . . ?
C43 C34 C35 C41 167.6(19) . . . . ?
C33 C34 C35 C41 2.3(8) . . . . ?
C39 C34 C35 C41 -1.7(7) . . . . ?
C42 C30 C35 C43 -147(5) . . . . ?
C41 C30 C35 C43 36(5) . . . . ?
C31 C30 C35 C43 31(5) . . . . ?
C40 C30 C35 C43 34(4) . . . . ?
C41 C30 C35 C42 -177(2) . . . . ?
C31 C30 C35 C42 177.4(18) . . . . ?
C43 C30 C35 C42 147(5) . . . . ?
C40 C30 C35 C42 -179.7(18) . . . . ?
C42 C30 C35 C34 -175.4(19) . . . . ?
C41 C30 C35 C34 7.1(15) . . . . ?
C31 C30 C35 C34 2.0(10) . . . . ?
C43 C30 C35 C34 -29(4) . . . . ?
C40 C30 C35 C34 4.8(8) . . . . ?
C42 C30 C35 C38 -174.6(18) . . . . ?
C41 C30 C35 C38 8.0(13) . . . . ?
C31 C30 C35 C38 2.8(8) . . . . ?
C43 C30 C35 C38 -28(4) . . . . ?
C40 C30 C35 C38 5.7(6) . . . . ?
C42 C30 C35 C41 177(2) . . . . ?
C31 C30 C35 C41 -5.1(10) . . . . ?
C43 C30 C35 C41 -36(5) . . . . ?
C40 C30 C35 C41 -2.3(10) . . . . ?
C38 C33 C36 C37 -29.0(19) . . . . ?
C34 C33 C36 C37 -34(2) . . . . ?
C32 C33 C36 C37 159.3(13) . . . . ?
C40 C33 C36 C37 164.8(13) . . . . ?
C38 C33 C36 C39 160(3) . . . . ?
C34 C33 C36 C39 156(2) . . . . ?
C32 C33 C36 C39 -11.6(14) . . . . ?
C37 C33 C36 C39 -171(2) . . . . ?
C40 C33 C36 C39 -6.1(14) . . . . ?
C39 C36 C37 C33 2.5(6) . . . . ?
C33 C36 C37 C39 -2.5(6) . . . . ?
C38 C33 C37 C36 159.7(14) . . . . ?
C34 C33 C37 C36 158.8(13) . . . . ?
C32 C33 C37 C36 -22.8(15) . . . . ?
C40 C33 C37 C36 -19.3(16) . . . . ?
C38 C33 C37 C39 169(2) . . . . ?
C34 C33 C37 C39 168(2) . . . . ?
C32 C33 C37 C39 -14.1(13) . . . . ?
C36 C33 C37 C39 9(2) . . . . ?
C40 C33 C37 C39 -10.5(13) . . . . ?
C34 C33 C38 C39 13(6) . . . . ?
C32 C33 C38 C39 22(3) . . . . ?
C37 C33 C38 C39 -161(4) . . . . ?
C36 C33 C38 C39 -147(4) . . . . ?
C40 C33 C38 C39 18(3) . . . . ?
C34 C33 C38 C43 -13(4) . . . . ?
C32 C33 C38 C43 -4.1(16) . . . . ?
C37 C33 C38 C43 172.8(8) . . . . ?
C36 C33 C38 C43 -173.4(9) . . . . ?
C40 C33 C38 C43 -8.0(14) . . . . ?
C34 C33 C38 C35 -9(4) . . . . ?
C32 C33 C38 C35 0.0(13) . . . . ?
C37 C33 C38 C35 177.0(6) . . . . ?
C36 C33 C38 C35 -169.3(9) . . . . ?
C40 C33 C38 C35 -3.8(10) . . . . ?
C43 C35 C38 C33 -170.3(16) . . . . ?
C42 C35 C38 C33 -5.1(16) . . . . ?
C34 C35 C38 C33 173(3) . . . . ?
C30 C35 C38 C33 -2.4(10) . . . . ?
C41 C35 C38 C33 0.1(9) . . . . ?
C43 C35 C38 C39 -174.6(15) . . . . ?
C42 C35 C38 C39 -9.5(14) . . . . ?
C34 C35 C38 C39 169(3) . . . . ?
C30 C35 C38 C39 -6.7(8) . . . . ?
C41 C35 C38 C39 -4.3(6) . . . . ?
C42 C35 C38 C43 165(2) . . . . ?
C34 C35 C38 C43 -16(3) . . . . ?
C30 C35 C38 C43 167.9(18) . . . . ?
C41 C35 C38 C43 170.4(17) . . . . ?
C31 C32 C39 C40 15.1(17) . . . . ?
C33 C32 C39 C40 56(5) . . . . ?
C41 C32 C39 C40 14.9(18) . . . . ?
C31 C32 C39 C38 -12.2(14) . . . . ?
C33 C32 C39 C38 29(3) . . . . ?
C41 C32 C39 C38 -12.4(12) . . . . ?
C31 C32 C39 C36 176.7(7) . . . . ?
C33 C32 C39 C36 -142(4) . . . . ?
C41 C32 C39 C36 176.5(6) . . . . ?
C31 C32 C39 C37 -168.1(8) . . . . ?
C33 C32 C39 C37 -127(4) . . . . ?
C41 C32 C39 C37 -168.3(8) . . . . ?
C31 C32 C39 C34 -8.4(12) . . . . ?
C33 C32 C39 C34 33(4) . . . . ?
C41 C32 C39 C34 -8.6(10) . . . . ?
C33 C38 C39 C32 -147(4) . . . . ?
C43 C38 C39 C32 10.5(14) . . . . ?
C35 C38 C39 C32 12.5(12) . . . . ?
C33 C38 C39 C40 -157(4) . . . . ?
C43 C38 C39 C40 1.1(11) . . . . ?
C35 C38 C39 C40 3.1(9) . . . . ?
C33 C38 C39 C36 24(3) . . . . ?
C43 C38 C39 C36 -178.6(7) . . . . ?
C35 C38 C39 C36 -176.6(6) . . . . ?
C33 C38 C39 C37 16(3) . . . . ?
C43 C38 C39 C37 173.5(7) . . . . ?
C35 C38 C39 C37 175.5(6) . . . . ?
C33 C38 C39 C34 -170(5) . . . . ?
C43 C38 C39 C34 -13(3) . . . . ?
C35 C38 C39 C34 -11(3) . . . . ?
C37 C36 C39 C32 153.9(14) . . . . ?
C33 C36 C39 C32 163(2) . . . . ?
C37 C36 C39 C40 161.6(13) . . . . ?
C33 C36 C39 C40 170(2) . . . . ?
C37 C36 C39 C38 -18.7(15) . . . . ?
C33 C36 C39 C38 -10.1(13) . . . . ?
C33 C36 C39 C37 9(2) . . . . ?
C37 C36 C39 C34 -21.1(16) . . . . ?
C33 C36 C39 C34 -12.4(13) . . . . ?
C36 C37 C39 C32 -34.6(18) . . . . ?
C33 C37 C39 C32 155(2) . . . . ?
C36 C37 C39 C40 -32(2) . . . . ?
C33 C37 C39 C40 157(3) . . . . ?
C36 C37 C39 C38 163.1(14) . . . . ?
C33 C37 C39 C38 -7.4(14) . . . . ?
C33 C37 C39 C36 -171(2) . . . . ?
C36 C37 C39 C34 162.2(13) . . . . ?
C33 C37 C39 C34 -8.3(14) . . . . ?
C43 C34 C39 C32 3.2(13) . . . . ?
C33 C34 C39 C32 -152(3) . . . . ?
C35 C34 C39 C32 7.8(10) . . . . ?
C43 C34 C39 C40 -4.5(11) . . . . ?
C33 C34 C39 C40 -159(3) . . . . ?
C35 C34 C39 C40 0.1(8) . . . . ?
C43 C34 C39 C38 163(4) . . . . ?
C33 C34 C39 C38 8(4) . . . . ?
C35 C34 C39 C38 167(3) . . . . ?
C43 C34 C39 C36 177.7(9) . . . . ?
C33 C34 C39 C36 23(2) . . . . ?
C35 C34 C39 C36 -177.8(7) . . . . ?
C43 C34 C39 C37 168.7(9) . . . . ?
C33 C34 C39 C37 14(2) . . . . ?
C35 C34 C39 C37 173.3(6) . . . . ?
C41 C31 C40 C39 -25(3) . . . . ?
C30 C31 C40 C39 -17(2) . . . . ?
C32 C31 C40 C39 91(6) . . . . ?
C42 C31 C40 C39 -15(2) . . . . ?
C30 C31 C40 C41 7.4(12) . . . . ?
C32 C31 C40 C41 116(6) . . . . ?
C42 C31 C40 C41 9.5(13) . . . . ?
C41 C31 C40 C33 -26(2) . . . . ?
C30 C31 C40 C33 -18.2(17) . . . . ?
C32 C31 C40 C33 91(6) . . . . ?
C42 C31 C40 C33 -16.1(15) . . . . ?
C41 C31 C40 C30 -7.4(12) . . . . ?
C32 C31 C40 C30 109(6) . . . . ?
C42 C31 C40 C30 2.1(5) . . . . ?
C32 C39 C40 C31 -147(3) . . . . ?
C38 C39 C40 C31 11(2) . . . . ?
C36 C39 C40 C31 -169.4(15) . . . . ?
C37 C39 C40 C31 -152.1(16) . . . . ?
C34 C39 C40 C31 13(2) . . . . ?
C32 C39 C40 C41 -157(3) . . . . ?
C38 C39 C40 C41 0.6(12) . . . . ?
C36 C39 C40 C41 -179.7(8) . . . . ?
C37 C39 C40 C41 -162.4(13) . . . . ?
C34 C39 C40 C41 2.6(11) . . . . ?
C32 C39 C40 C33 -143(3) . . . . ?
C38 C39 C40 C33 15(2) . . . . ?
C36 C39 C40 C33 -165(3) . . . . ?
C37 C39 C40 C33 -148(4) . . . . ?
C34 C39 C40 C33 17(2) . . . . ?
C32 C39 C40 C30 -157(2) . . . . ?
C38 C39 C40 C30 0.5(9) . . . . ?
C36 C39 C40 C30 -179.9(7) . . . . ?
C37 C39 C40 C30 -162.6(14) . . . . ?
C34 C39 C40 C30 2.5(8) . . . . ?
C38 C33 C40 C31 17.3(17) . . . . ?
C34 C33 C40 C31 18.0(15) . . . . ?
C32 C33 C40 C31 -151(3) . . . . ?
C37 C33 C40 C31 -163.7(12) . . . . ?
C36 C33 C40 C31 -172.3(13) . . . . ?
C38 C33 C40 C39 -159(3) . . . . ?
C34 C33 C40 C39 -159(3) . . . . ?
C32 C33 C40 C39 32(3) . . . . ?
C37 C33 C40 C39 20(2) . . . . ?
C36 C33 C40 C39 11(3) . . . . ?
C38 C33 C40 C41 7.5(11) . . . . ?
C34 C33 C40 C41 8.2(9) . . . . ?
C32 C33 C40 C41 -161(2) . . . . ?
C37 C33 C40 C41 -173.5(8) . . . . ?
C36 C33 C40 C41 177.9(7) . . . . ?
C38 C33 C40 C30 6.7(9) . . . . ?
C34 C33 C40 C30 7.3(7) . . . . ?
C32 C33 C40 C30 -162(2) . . . . ?
C37 C33 C40 C30 -174.3(7) . . . . ?
C36 C33 C40 C30 177.1(6) . . . . ?
C40 C31 C41 C30 42(6) . . . . ?
C32 C31 C41 C30 32(6) . . . . ?
C42 C31 C41 C30 16(3) . . . . ?
C40 C31 C41 C42 26(3) . . . . ?
C30 C31 C41 C42 -16(3) . . . . ?
C32 C31 C41 C42 16(3) . . . . ?
C30 C31 C41 C40 -42(6) . . . . ?
C32 C31 C41 C40 -9.4(11) . . . . ?
C42 C31 C41 C40 -26(3) . . . . ?
C40 C31 C41 C32 9.4(11) . . . . ?
C30 C31 C41 C32 -32(6) . . . . ?
C42 C31 C41 C32 -16(3) . . . . ?
C40 C31 C41 C35 18(2) . . . . ?
C30 C31 C41 C35 -24(4) . . . . ?
C32 C31 C41 C35 8(2) . . . . ?
C42 C31 C41 C35 -8.2(14) . . . . ?
C42 C30 C41 C31 -35(7) . . . . ?
C35 C30 C41 C31 -33(6) . . . . ?
C43 C30 C41 C31 -29(6) . . . . ?
C40 C30 C41 C31 -28(4) . . . . ?
C31 C30 C41 C42 35(7) . . . . ?
C35 C30 C41 C42 2(2) . . . . ?
C43 C30 C41 C42 6(2) . . . . ?
C40 C30 C41 C42 7(4) . . . . ?
C42 C30 C41 C40 -7(4) . . . . ?
C31 C30 C41 C40 28(4) . . . . ?
C35 C30 C41 C40 -5(2) . . . . ?
C43 C30 C41 C40 -0.8(19) . . . . ?
C42 C30 C41 C32 -12(4) . . . . ?
C31 C30 C41 C32 23(4) . . . . ?
C35 C30 C41 C32 -9.9(18) . . . . ?
C43 C30 C41 C32 -6.2(16) . . . . ?
C40 C30 C41 C32 -5.4(8) . . . . ?
C42 C30 C41 C35 -2(2) . . . . ?
C31 C30 C41 C35 33(6) . . . . ?
C43 C30 C41 C35 3.7(5) . . . . ?
C40 C30 C41 C35 5(2) . . . . ?
C39 C40 C41 C31 162(2) . . . . ?
C33 C40 C41 C31 159.8(19) . . . . ?
C30 C40 C41 C31 163(3) . . . . ?
C31 C40 C41 C30 -163(3) . . . . ?
C39 C40 C41 C30 -1(2) . . . . ?
C33 C40 C41 C30 -3.2(18) . . . . ?
C31 C40 C41 C42 -165(2) . . . . ?
C39 C40 C41 C42 -2.6(14) . . . . ?
C33 C40 C41 C42 -5.2(11) . . . . ?
C30 C40 C41 C42 -1.9(11) . . . . ?
C31 C40 C41 C32 -119(6) . . . . ?
C39 C40 C41 C32 44(5) . . . . ?
C33 C40 C41 C32 41(5) . . . . ?
C30 C40 C41 C32 44(6) . . . . ?
C31 C40 C41 C35 -165.8(18) . . . . ?
C39 C40 C41 C35 -3.4(10) . . . . ?
C33 C40 C41 C35 -6.0(8) . . . . ?
C30 C40 C41 C35 -2.8(13) . . . . ?
C39 C32 C41 C31 179.3(16) . . . . ?
C33 C32 C41 C31 173.6(15) . . . . ?
C39 C32 C41 C30 11.9(15) . . . . ?
C31 C32 C41 C30 -167(2) . . . . ?
C33 C32 C41 C30 6.2(14) . . . . ?
C39 C32 C41 C42 8.6(9) . . . . ?
C31 C32 C41 C42 -170.7(18) . . . . ?
C33 C32 C41 C42 2.9(8) . . . . ?
C39 C32 C41 C40 -127(6) . . . . ?
C31 C32 C41 C40 53(5) . . . . ?
C33 C32 C41 C40 -133(6) . . . . ?
C39 C32 C41 C35 5.9(7) . . . . ?
C31 C32 C41 C35 -173.4(16) . . . . ?
C33 C32 C41 C35 0.2(6) . . . . ?
C41 C30 C42 C35 4(4) . . . . ?
C31 C30 C42 C35 -4(3) . . . . ?
C43 C30 C42 C35 -5.8(9) . . . . ?
C40 C30 C42 C35 0(2) . . . . ?
C31 C30 C42 C41 -8.3(18) . . . . ?
C35 C30 C42 C41 -4(4) . . . . ?
C43 C30 C42 C41 -10(4) . . . . ?
C40 C30 C42 C41 -4(2) . . . . ?
C41 C30 C42 C43 10(4) . . . . ?
C31 C30 C42 C43 2(3) . . . . ?
C35 C30 C42 C43 5.8(9) . . . . ?
C40 C30 C42 C43 6.1(18) . . . . ?
C41 C30 C42 C31 8.3(18) . . . . ?
C35 C30 C42 C31 4(3) . . . . ?
C43 C30 C42 C31 -2(3) . . . . ?
C40 C30 C42 C31 4.2(9) . . . . ?
C43 C35 C42 C30 112(9) . . . . ?
C34 C35 C42 C30 7(3) . . . . ?
C38 C35 C42 C30 7(2) . . . . ?
C41 C35 C42 C30 -1.3(11) . . . . ?
C43 C35 C42 C41 113(9) . . . . ?
C34 C35 C42 C41 8(2) . . . . ?
C30 C35 C42 C41 1.3(11) . . . . ?
C38 C35 C42 C41 8.2(16) . . . . ?
C34 C35 C42 C43 -105(9) . . . . ?
C30 C35 C42 C43 -112(9) . . . . ?
C38 C35 C42 C43 -105(9) . . . . ?
C41 C35 C42 C43 -113(9) . . . . ?
C43 C35 C42 C31 110(9) . . . . ?
C34 C35 C42 C31 4.8(18) . . . . ?
C30 C35 C42 C31 -1.7(12) . . . . ?
C38 C35 C42 C31 5.3(14) . . . . ?
C41 C35 C42 C31 -2.9(5) . . . . ?
C31 C41 C42 C30 160(4) . . . . ?
C40 C41 C42 C30 174(3) . . . . ?
C32 C41 C42 C30 170(3) . . . . ?
C35 C41 C42 C30 176(3) . . . . ?
C31 C41 C42 C35 -17(3) . . . . ?
C30 C41 C42 C35 -176(3) . . . . ?
C40 C41 C42 C35 -2.1(14) . . . . ?
C32 C41 C42 C35 -6.8(12) . . . . ?
C31 C41 C42 C43 -12(3) . . . . ?
C30 C41 C42 C43 -172(3) . . . . ?
C40 C41 C42 C43 2.7(11) . . . . ?
C32 C41 C42 C43 -2.1(9) . . . . ?
C35 C41 C42 C43 4.7(8) . . . . ?
C30 C41 C42 C31 -160(4) . . . . ?
C40 C41 C42 C31 15(2) . . . . ?
C32 C41 C42 C31 10(2) . . . . ?
C35 C41 C42 C31 17(3) . . . . ?
C42 C35 C43 C34 -119(8) . . . . ?
C30 C35 C43 C34 -38(5) . . . . ?
C38 C35 C43 C34 -4.2(7) . . . . ?
C41 C35 C43 C34 -20(3) . . . . ?
C34 C35 C43 C42 119(8) . . . . ?
C30 C35 C43 C42 81(9) . . . . ?
C38 C35 C43 C42 115(9) . . . . ?
C41 C35 C43 C42 99(9) . . . . ?
C42 C35 C43 C38 -115(9) . . . . ?
C34 C35 C43 C38 4.2(7) . . . . ?
C30 C35 C43 C38 -34(5) . . . . ?
C41 C35 C43 C38 -16(3) . . . . ?
C42 C35 C43 C30 -81(9) . . . . ?
C34 C35 C43 C30 38(5) . . . . ?
C38 C35 C43 C30 34(5) . . . . ?
C41 C35 C43 C30 18(2) . . . . ?
C33 C34 C43 C35 19(2) . . . . ?
C39 C34 C43 C35 13(2) . . . . ?
C33 C34 C43 C42 11.6(15) . . . . ?
C35 C34 C43 C42 -7.4(12) . . . . ?
C39 C34 C43 C42 5.4(13) . . . . ?
C33 C34 C43 C38 -12(4) . . . . ?
C35 C34 C43 C38 -32(5) . . . . ?
C39 C34 C43 C38 -19(4) . . . . ?
C33 C34 C43 C30 9.7(13) . . . . ?
C35 C34 C43 C30 -9.4(13) . . . . ?
C39 C34 C43 C30 3.4(10) . . . . ?
C30 C42 C43 C35 -72(9) . . . . ?
C41 C42 C43 C35 -69(9) . . . . ?
C31 C42 C43 C35 -71(9) . . . . ?
C30 C42 C43 C34 -7.3(18) . . . . ?
C35 C42 C43 C34 65(9) . . . . ?
C41 C42 C43 C34 -4.3(12) . . . . ?
C31 C42 C43 C34 -6.5(10) . . . . ?
C30 C42 C43 C38 -4.0(16) . . . . ?
C35 C42 C43 C38 68(9) . . . . ?
C41 C42 C43 C38 -1.0(9) . . . . ?
C31 C42 C43 C38 -3.2(7) . . . . ?
C35 C42 C43 C30 72(9) . . . . ?
C41 C42 C43 C30 2.9(11) . . . . ?
C31 C42 C43 C30 0.8(11) . . . . ?
C33 C38 C43 C35 12(2) . . . . ?
C39 C38 C43 C35 6.3(17) . . . . ?
C33 C38 C43 C34 163(5) . . . . ?
C39 C38 C43 C34 157(5) . . . . ?
C35 C38 C43 C34 150(5) . . . . ?
C33 C38 C43 C42 5.1(13) . . . . ?
C39 C38 C43 C42 -0.9(10) . . . . ?
C35 C38 C43 C42 -7.2(12) . . . . ?
C33 C38 C43 C30 4.1(12) . . . . ?
C39 C38 C43 C30 -2.0(8) . . . . ?
C35 C38 C43 C30 -8.3(12) . . . . ?


#==============================================================================
# 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_Pd8(GeMe2)6(CNtBu)10
_database_code_depnum_ccdc_archive 'CCDC 2087549'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-07-28 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C74 H90 Ge6 N10 O2 Pd8'
_chemical_formula_moiety         'C74 H90 Ge6 N10 O2 Pd8'
_chemical_formula_weight         2438.33
_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                   13.6964(4)
_cell_length_b                   14.4844(4)
_cell_length_c                   14.7143(5)
_cell_angle_alpha                73.065(3)
_cell_angle_beta                 62.695(3)
_cell_angle_gamma                82.678(2)
_cell_volume                     2481.29(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    15976
_cell_measurement_theta_min      1.84
_cell_measurement_theta_max      31.33
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1180.00
_exptl_absorpt_coefficient_mu    3.238
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_T_max  0.851

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

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            23946
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_theta_max         31.178
_diffrn_reflns_theta_min         1.875
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.837
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.837
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.837
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             13450
_reflns_number_gt                10729
_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          0.0559
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.1020
_refine_ls_wR_factor_gt          0.0955
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         13450
_refine_ls_number_parameters     409
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0511P)²+3.2977P] 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         1.28
_refine_diff_density_min         -0.92
_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)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 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)
;
O O 0.0106 0.0060
;
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 0.53578(2) 0.90938(2) 0.49755(2) 0.01682(7) Uani 1 1 d . . . . .
Pd2 Pd 0.61688(2) 0.72337(2) 0.49986(2) 0.02395(8) Uani 1 1 d . . . . .
Pd3 Pd 0.37782(2) 0.94370(2) 0.69120(2) 0.01847(7) Uani 1 1 d . . . . .
Pd4 Pd 0.30120(2) 0.94530(2) 0.55891(2) 0.02212(7) Uani 1 1 d . . . . .
Ge1 Ge 0.69593(3) 0.87582(3) 0.34844(3) 0.02045(9) Uani 1 1 d . . . . .
Ge2 Ge 0.43622(3) 0.77170(3) 0.63511(3) 0.02628(10) Uani 1 1 d . . . . .
Ge3 Ge 0.42740(3) 1.00809(3) 0.37130(3) 0.02223(9) Uani 1 1 d . . . . .
O1 O 1.1778(5) 0.4044(4) 0.2729(5) 0.0914(16) Uiso 1 1 d . . . . .
N1 N 0.8235(3) 0.6232(3) 0.3581(3) 0.0431(10) Uani 1 1 d . . . . .
N2 N 0.5386(3) 0.5168(3) 0.6476(3) 0.0338(9) Uani 1 1 d . . . . .
N3 N 0.3462(3) 0.8980(3) 0.9232(3) 0.0384(9) Uani 1 1 d . . . . .
N4 N 0.1377(3) 0.8927(3) 0.4910(3) 0.0315(8) Uani 1 1 d . . . . .
N5 N 0.1368(4) 0.8627(4) 0.7958(4) 0.0717(18) Uani 1 1 d . . . . .
C1 C 0.7165(3) 0.8456(3) 0.2174(3) 0.0303(9) Uani 1 1 d . . . . .
H1A H 0.646090 0.840200 0.220070 0.036 Uiso 1 1 d . U . . .
H1B H 0.758350 0.896399 0.156720 0.036 Uiso 1 1 d . U . . .
H1C H 0.755090 0.785800 0.212180 0.036 Uiso 1 1 d . U . . .
C2 C 0.8538(3) 0.8812(4) 0.3146(4) 0.0376(11) Uani 1 1 d . . . . .
H2A H 0.859800 0.895650 0.371510 0.045 Uiso 1 1 d . U . . .
H2B H 0.887190 0.820041 0.305690 0.045 Uiso 1 1 d . U . . .
H2C H 0.890450 0.930649 0.250230 0.045 Uiso 1 1 d . U . . .
C3 C 0.3225(4) 0.7020(3) 0.6318(5) 0.0493(15) Uani 1 1 d . . . . .
H3A H 0.320331 0.727910 0.564860 0.059 Uiso 1 1 d . U . . .
H3B H 0.340230 0.634689 0.641001 0.059 Uiso 1 1 d . U . . .
H3C H 0.252130 0.709849 0.688001 0.059 Uiso 1 1 d . U . . .
C4 C 0.4207(5) 0.7031(3) 0.7797(4) 0.0536(16) Uani 1 1 d . . . . .
H4A H 0.471840 0.729650 0.793130 0.064 Uiso 1 1 d . U . . .
H4B H 0.347110 0.710880 0.831241 0.064 Uiso 1 1 d . U . . .
H4C H 0.435209 0.635730 0.784240 0.064 Uiso 1 1 d . U . . .
C5 C 0.4313(3) 0.9147(4) 0.2930(4) 0.0346(10) Uani 1 1 d . . . . .
H5A H 0.464869 0.855660 0.315110 0.042 Uiso 1 1 d . U . . .
H5B H 0.357740 0.901340 0.307850 0.042 Uiso 1 1 d . U . . .
H5C H 0.473189 0.941820 0.218090 0.042 Uiso 1 1 d . U . . .
C6 C 0.3553(4) 1.1166(4) 0.3065(4) 0.0354(10) Uani 1 1 d . . . . .
H6A H 0.346469 1.169849 0.336149 0.042 Uiso 1 1 d . U . . .
H6B H 0.399920 1.136459 0.231320 0.042 Uiso 1 1 d . U . . .
H6C H 0.284469 1.095989 0.321071 0.042 Uiso 1 1 d . U . . .
C7 C 0.7528(4) 0.6692(3) 0.4021(4) 0.0343(10) Uani 1 1 d . . . . .
C8 C 0.9156(4) 0.5657(4) 0.3051(5) 0.0546(16) Uani 1 1 d . . . . .
C9 C 0.9014(5) 0.4646(5) 0.3763(6) 0.075(2) Uani 1 1 d . . . . .
H9A H 0.961961 0.425640 0.342360 0.090 Uiso 1 1 d . U . . .
H9B H 0.899310 0.466380 0.442089 0.090 Uiso 1 1 d . U . . .
H9C H 0.834000 0.437419 0.390470 0.090 Uiso 1 1 d . U . . .
C10 C 1.0181(5) 0.6163(5) 0.2737(8) 0.101(3) Uani 1 1 d . . . . .
H10A H 1.080311 0.579549 0.238220 0.121 Uiso 1 1 d . U . . .
H10B H 1.020439 0.678901 0.226409 0.121 Uiso 1 1 d . U . . .
H10C H 1.019890 0.623821 0.335500 0.121 Uiso 1 1 d . U . . .
C11 C 0.9061(7) 0.5586(6) 0.2078(6) 0.094(3) Uani 1 1 d . . . . .
H11A H 0.965930 0.521151 0.170040 0.113 Uiso 1 1 d . U . . .
H11B H 0.837770 0.528561 0.230060 0.113 Uiso 1 1 d . U . . .
H11C H 0.909439 0.622440 0.162670 0.113 Uiso 1 1 d . U . . .
C12 C 0.5596(4) 0.5965(3) 0.6032(3) 0.0310(9) Uani 1 1 d . . . . .
C13 C 0.5139(4) 0.4139(3) 0.6922(4) 0.0393(11) Uani 1 1 d . . . . .
C14 C 0.543(2) 0.372(2) 0.777(2) 0.079(7) Uiso 0.3 1 d . . P . .
C15 C 0.3766(17) 0.4088(15) 0.7398(17) 0.057(5) Uiso 0.3 1 d . . P . .
C16 C 0.5543(14) 0.3679(13) 0.5972(14) 0.044(4) Uiso 0.3 1 d . . P . .
C17 C 0.4689(8) 0.3869(7) 0.6286(8) 0.060(2) Uiso 0.7 1 d . . P . .
C18 C 0.6256(7) 0.3602(6) 0.6790(7) 0.054(2) Uiso 0.7 1 d . . P . .
C19 C 0.4375(9) 0.3944(8) 0.8101(9) 0.073(3) Uiso 0.7 1 d . . P . .
C20 C 0.3581(3) 0.9151(3) 0.8378(3) 0.0248(8) Uani 1 1 d . . . . .
C21 C 0.3386(7) 0.8786(6) 1.0280(5) 0.080(2) Uani 1 1 d . . . . .
C22 C 0.2486(11) 0.8155(9) 1.1021(6) 0.147(5) Uani 1 1 d . . . . .
H22A H 0.244789 0.802760 1.171381 0.176 Uiso 1 1 d . U . . .
H22B H 0.182270 0.844529 1.101841 0.176 Uiso 1 1 d . U . . .
H22C H 0.260100 0.755740 1.082300 0.176 Uiso 1 1 d . U . . .
C23 C 0.4528(10) 0.8388(10) 1.0174(8) 0.162(6) Uani 1 1 d . . . . .
H23A H 0.508780 0.886129 0.965780 0.195 Uiso 1 1 d . U . . .
H23B H 0.454489 0.825361 1.084469 0.195 Uiso 1 1 d . U . . .
H23C H 0.467250 0.780729 0.994529 0.195 Uiso 1 1 d . U . . .
C24 C 0.3291(8) 0.9775(8) 1.0511(7) 0.103(3) Uani 1 1 d . . . . .
H24A H 0.392020 1.016409 0.998350 0.123 Uiso 1 1 d . U . . .
H24B H 0.263610 1.008991 1.049709 0.123 Uiso 1 1 d . U . . .
H24C H 0.325550 0.968050 1.119911 0.123 Uiso 1 1 d . U . . .
C25 C 0.1978(3) 0.9161(3) 0.5145(3) 0.0269(9) Uani 1 1 d . . . . .
C26 C 0.0768(5) 0.8593(5) 0.4472(4) 0.0541(16) Uani 1 1 d . . . . .
C27 C -0.0410(5) 0.8388(6) 0.5332(5) 0.086(3) Uani 1 1 d . . . . .
H27A H -0.082951 0.816340 0.506390 0.103 Uiso 1 1 d . U . . .
H27B H -0.040820 0.789720 0.593480 0.103 Uiso 1 1 d . U . . .
H27C H -0.072830 0.896440 0.553930 0.103 Uiso 1 1 d . U . . .
C28 C 0.0815(5) 0.9399(6) 0.3517(5) 0.074(2) Uani 1 1 d . . . . .
H28A H 0.041990 0.920770 0.320681 0.088 Uiso 1 1 d . U . . .
H28B H 0.048560 0.997200 0.374370 0.088 Uiso 1 1 d . U . . .
H28C H 0.156610 0.953650 0.300361 0.088 Uiso 1 1 d . U . . .
C29 C 0.1360(8) 0.7690(6) 0.4141(6) 0.089(3) Uani 1 1 d . . . . .
H29A H 0.098660 0.743670 0.384589 0.107 Uiso 1 1 d . U . . .
H29B H 0.210340 0.784800 0.362141 0.107 Uiso 1 1 d . U . . .
H29C H 0.135509 0.720680 0.475160 0.107 Uiso 1 1 d . U . . .
C30 C 0.2186(3) 0.8968(3) 0.7240(4) 0.0322(10) Uani 1 1 d . . . . .
C31 C 0.0555(8) 0.8388(8) 0.8966(8) 0.037(2) Uiso 0.5 1 d . . P . .
C32 C 0.1118(13) 0.7512(12) 0.9448(13) 0.082(4) Uiso 0.5 1 d . . P . .
C33 C -0.0564(13) 0.8267(12) 0.9080(14) 0.078(4) Uiso 0.5 1 d . . P . .
C34 C 0.0488(11) 0.9221(10) 0.9480(11) 0.063(3) Uiso 0.5 1 d . . P . .
C35 C 0.0397(8) 0.8055(7) 0.8678(8) 0.036(2) Uiso 0.5 1 d . . P . .
C36 C 0.0519(9) 0.7004(8) 0.9127(9) 0.046(2) Uiso 0.5 1 d . . P . .
C37 C 0.0007(11) 0.8139(10) 0.7795(11) 0.064(3) Uiso 0.5 1 d . . P . .
C38 C -0.0383(14) 0.8537(13) 0.9461(14) 0.083(5) Uiso 0.5 1 d . . P . .
C39 C 1.2039(8) 0.3920(7) 0.3566(8) 0.103(3) Uiso 1 1 d . . . . .
C40 C 1.2598(9) 0.3684(8) 0.1763(9) 0.111(3) Uiso 1 1 d . . . . .
C41 C 1.3471(10) 0.4394(9) 0.1325(10) 0.137(4) Uiso 1 1 d . . . . .
C42 C 1.3288(11) 0.5264(10) 0.0625(12) 0.152(5) Uiso 1 1 d . . . . .
C43 C 1.2500(8) 0.5049(8) 0.0376(8) 0.105(3) Uiso 1 1 d . . . . .
C44 C 1.2158(8) 0.4012(7) 0.0873(8) 0.101(3) Uiso 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

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

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Ge2 2.3964(5) . ?
Pd1 Ge1 2.4075(5) . ?
Pd1 Pd1 2.6920(5) 2_676 ?
Pd1 Pd2 2.7771(4) . ?
Pd1 Ge3 2.7924(5) 2_676 ?
Pd1 Pd3 2.7975(4) 2_676 ?
Pd1 Pd3 2.8182(4) . ?
Pd1 Ge3 2.8532(5) . ?
Pd1 Pd4 2.9298(4) 2_676 ?
Pd1 Pd4 2.9318(4) . ?
Pd2 C12 1.988(4) . ?
Pd2 C7 1.994(4) . ?
Pd2 Ge2 2.5349(5) . ?
Pd2 Ge1 2.5578(5) . ?
Pd3 C20 1.968(4) . ?
Pd3 C30 2.162(4) . ?
Pd3 Ge3 2.5100(5) 2_676 ?
Pd3 Pd4 2.5948(4) . ?
Pd3 Ge1 2.6782(5) 2_676 ?
Pd3 Ge2 2.7589(5) . ?
Pd4 C25 1.943(5) . ?
Pd4 C30 2.088(4) . ?
Pd4 Ge3 2.4487(5) . ?
Ge1 C1 1.988(4) . ?
Ge1 C2 1.990(4) . ?
Ge2 C3 1.986(5) . ?
Ge2 C4 1.992(5) . ?
Ge3 C6 1.988(4) . ?
Ge3 C5 1.999(5) . ?
O1 C39 1.391(11) . ?
O1 C40 1.540(11) . ?
N1 C7 1.146(5) . ?
N1 C8 1.450(6) . ?
N2 C12 1.147(5) . ?
N2 C13 1.457(6) . ?
N3 C20 1.143(5) . ?
N3 C21 1.441(7) . ?
N4 C25 1.146(6) . ?
N4 C26 1.458(7) . ?
N5 C30 1.168(6) . ?
N5 C31 1.359(11) . ?
N5 C35 1.433(11) . ?
C1 H1A 0.9590 . ?
C1 H1B 0.9607 . ?
C1 H1C 0.9593 . ?
C2 H2A 0.9605 . ?
C2 H2B 0.9595 . ?
C2 H2C 0.9604 . ?
C3 H3A 0.9594 . ?
C3 H3B 0.9597 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9583 . ?
C4 H4B 0.9608 . ?
C4 H4C 0.9592 . ?
C5 H5A 0.9605 . ?
C5 H5B 0.9606 . ?
C5 H5C 0.9610 . ?
C6 H6A 0.9612 . ?
C6 H6B 0.9588 . ?
C6 H6C 0.9596 . ?
C8 C10 1.480(9) . ?
C8 C9 1.508(8) . ?
C8 C11 1.528(11) . ?
C9 H9A 0.9594 . ?
C9 H9B 0.9625 . ?
C9 H9C 0.9587 . ?
C10 H10A 0.9592 . ?
C10 H10B 0.9634 . ?
C10 H10C 0.9579 . ?
C11 H11A 0.9584 . ?
C11 H11B 0.9555 . ?
C11 H11C 0.9612 . ?
C13 C14 1.42(3) . ?
C13 C17 1.486(11) . ?
C13 C19 1.520(12) . ?
C13 C16 1.562(19) . ?
C13 C18 1.580(10) . ?
C13 C15 1.68(2) . ?
C14 C19 1.32(3) . ?
C14 C18 1.41(3) . ?
C15 C19 1.56(2) . ?
C15 C17 1.64(2) . ?
C16 C17 1.075(18) . ?
C16 C18 1.84(2) . ?
C21 C22 1.421(13) . ?
C21 C24 1.543(12) . ?
C21 C23 1.550(12) . ?
C22 H22A 0.9595 . ?
C22 H22B 0.9519 . ?
C22 H22C 0.9635 . ?
C23 H23A 0.9653 . ?
C23 H23B 0.9586 . ?
C23 H23C 0.9598 . ?
C24 H24A 0.9577 . ?
C24 H24B 0.9597 . ?
C24 H24C 0.9598 . ?
C26 C28 1.523(8) . ?
C26 C27 1.524(8) . ?
C26 C29 1.531(11) . ?
C27 H27A 0.9601 . ?
C27 H27B 0.9620 . ?
C27 H27C 0.9563 . ?
C28 H28A 0.9581 . ?
C28 H28B 0.9644 . ?
C28 H28C 0.9594 . ?
C29 H29A 0.9636 . ?
C29 H29B 0.9577 . ?
C29 H29C 0.9628 . ?
C31 C35 0.830(12) . ?
C31 C38 1.179(18) . ?
C31 C33 1.49(2) . ?
C31 C32 1.562(19) . ?
C31 C34 1.572(18) . ?
C31 C36 1.953(16) . ?
C32 C36 1.47(2) . ?
C32 C35 1.786(19) . ?
C33 C38 0.90(2) . ?
C33 C35 1.211(18) . ?
C33 C37 1.74(2) . ?
C34 C38 1.66(2) . ?
C35 C38 1.45(2) . ?
C35 C36 1.494(14) . ?
C35 C37 1.587(18) . ?
C40 C41 1.457(14) . ?
C40 C44 1.610(14) . ?
C41 C42 1.454(16) . ?
C42 C43 1.382(15) . ?
C43 C44 1.496(13) . ?

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
Ge2 Pd1 Ge1 116.108(18) . . ?
Ge2 Pd1 Pd1 121.900(18) . 2_676 ?
Ge1 Pd1 Pd1 121.834(18) . 2_676 ?
Ge2 Pd1 Pd2 58.122(13) . . ?
Ge1 Pd1 Pd2 58.605(13) . . ?
Pd1 Pd1 Pd2 176.256(19) 2_676 . ?
Ge2 Pd1 Ge3 95.632(17) . 2_676 ?
Ge1 Pd1 Ge3 116.594(17) . 2_676 ?
Pd1 Pd1 Ge3 62.667(14) 2_676 2_676 ?
Pd2 Pd1 Ge3 113.647(14) . 2_676 ?
Ge2 Pd1 Pd3 164.037(19) . 2_676 ?
Ge1 Pd1 Pd3 61.396(12) . 2_676 ?
Pd1 Pd1 Pd3 61.743(11) 2_676 2_676 ?
Pd2 Pd1 Pd3 119.404(13) . 2_676 ?
Ge3 Pd1 Pd3 99.343(14) 2_676 2_676 ?
Ge2 Pd1 Pd3 63.280(14) . . ?
Ge1 Pd1 Pd3 168.259(16) . . ?
Pd1 Pd1 Pd3 60.971(11) 2_676 . ?
Pd2 Pd1 Pd3 117.762(13) . . ?
Ge3 Pd1 Pd3 53.148(11) 2_676 . ?
Pd3 Pd1 Pd3 122.714(11) 2_676 . ?
Ge2 Pd1 Ge3 113.738(17) . . ?
Ge1 Pd1 Ge3 93.413(15) . . ?
Pd1 Pd1 Ge3 60.388(13) 2_676 . ?
Pd2 Pd1 Ge3 123.294(16) . . ?
Ge3 Pd1 Ge3 123.055(13) 2_676 . ?
Pd3 Pd1 Ge3 52.731(11) 2_676 . ?
Pd3 Pd1 Ge3 97.419(13) . . ?
Ge2 Pd1 Pd4 142.112(17) . 2_676 ?
Ge1 Pd1 Pd4 74.910(14) . 2_676 ?
Pd1 Pd1 Pd4 62.699(12) 2_676 2_676 ?
Pd2 Pd1 Pd4 114.729(12) . 2_676 ?
Ge3 Pd1 Pd4 50.602(11) 2_676 2_676 ?
Pd3 Pd1 Pd4 53.822(10) 2_676 2_676 ?
Pd3 Pd1 Pd4 98.502(12) . 2_676 ?
Ge3 Pd1 Pd4 100.859(13) . 2_676 ?
Ge2 Pd1 Pd4 72.334(14) . . ?
Ge1 Pd1 Pd4 138.115(16) . . ?
Pd1 Pd1 Pd4 62.623(11) 2_676 . ?
Pd2 Pd1 Pd4 119.881(13) . . ?
Ge3 Pd1 Pd4 102.277(13) 2_676 . ?
Pd3 Pd1 Pd4 98.929(12) 2_676 . ?
Pd3 Pd1 Pd4 53.607(10) . . ?
Ge3 Pd1 Pd4 50.062(11) . . ?
Pd4 Pd1 Pd4 125.321(11) 2_676 . ?
C12 Pd2 C7 94.71(18) . . ?
C12 Pd2 Ge2 78.63(12) . . ?
C7 Pd2 Ge2 173.20(13) . . ?
C12 Pd2 Ge1 172.65(13) . . ?
C7 Pd2 Ge1 80.17(13) . . ?
Ge2 Pd2 Ge1 106.337(16) . . ?
C12 Pd2 Pd1 131.97(12) . . ?
C7 Pd2 Pd1 133.31(13) . . ?
Ge2 Pd2 Pd1 53.394(12) . . ?
Ge1 Pd2 Pd1 53.457(12) . . ?
C20 Pd3 C30 98.83(17) . . ?
C20 Pd3 Ge3 88.32(12) . 2_676 ?
C30 Pd3 Ge3 171.87(12) . 2_676 ?
C20 Pd3 Pd4 149.93(12) . . ?
C30 Pd3 Pd4 51.10(12) . . ?
Ge3 Pd3 Pd4 121.681(16) 2_676 . ?
C20 Pd3 Ge1 104.49(12) . 2_676 ?
C30 Pd3 Ge1 86.52(12) . 2_676 ?
Ge3 Pd3 Ge1 95.468(16) 2_676 2_676 ?
Pd4 Pd3 Ge1 76.690(14) . 2_676 ?
C20 Pd3 Ge2 105.98(12) . . ?
C30 Pd3 Ge2 80.47(12) . . ?
Ge3 Pd3 Ge2 93.897(16) 2_676 . ?
Pd4 Pd3 Ge2 72.645(14) . . ?
Ge1 Pd3 Ge2 148.324(18) 2_676 . ?
C20 Pd3 Pd1 138.79(12) . 2_676 ?
C30 Pd3 Pd1 111.03(13) . 2_676 ?
Ge3 Pd3 Pd1 64.773(13) 2_676 2_676 ?
Pd4 Pd3 Pd1 65.694(11) . 2_676 ?
Ge1 Pd3 Pd1 52.107(11) 2_676 2_676 ?
Ge2 Pd3 Pd1 106.443(14) . 2_676 ?
C20 Pd3 Pd1 137.64(11) . . ?
C30 Pd3 Pd1 108.99(12) . . ?
Ge3 Pd3 Pd1 62.899(13) 2_676 . ?
Pd4 Pd3 Pd1 65.436(11) . . ?
Ge1 Pd3 Pd1 108.394(14) 2_676 . ?
Ge2 Pd3 Pd1 50.881(12) . . ?
Pd1 Pd3 Pd1 57.286(11) 2_676 . ?
C25 Pd4 C30 102.90(17) . . ?
C25 Pd4 Ge3 88.10(12) . . ?
C30 Pd4 Ge3 168.96(13) . . ?
C25 Pd4 Pd3 156.31(11) . . ?
C30 Pd4 Pd3 53.67(12) . . ?
Ge3 Pd4 Pd3 115.298(16) . . ?
C25 Pd4 Pd1 141.21(12) . 2_676 ?
C30 Pd4 Pd1 108.56(13) . 2_676 ?
Ge3 Pd4 Pd1 61.789(14) . 2_676 ?
Pd3 Pd4 Pd1 60.486(10) . 2_676 ?
C25 Pd4 Pd1 134.40(12) . . ?
C30 Pd4 Pd1 107.21(12) . . ?
Ge3 Pd4 Pd1 63.303(13) . . ?
Pd3 Pd4 Pd1 60.957(11) . . ?
Pd1 Pd4 Pd1 54.679(11) 2_676 . ?
C1 Ge1 C2 97.8(2) . . ?
C1 Ge1 Pd1 132.78(12) . . ?
C2 Ge1 Pd1 129.21(15) . . ?
C1 Ge1 Pd2 106.58(13) . . ?
C2 Ge1 Pd2 106.12(15) . . ?
Pd1 Ge1 Pd2 67.938(14) . . ?
C1 Ge1 Pd3 97.88(12) . 2_676 ?
C2 Ge1 Pd3 108.82(15) . 2_676 ?
Pd1 Ge1 Pd3 66.496(13) . 2_676 ?
Pd2 Ge1 Pd3 133.617(17) . 2_676 ?
C3 Ge2 C4 99.8(3) . . ?
C3 Ge2 Pd1 123.49(17) . . ?
C4 Ge2 Pd1 136.38(19) . . ?
C3 Ge2 Pd2 104.58(16) . . ?
C4 Ge2 Pd2 108.56(17) . . ?
Pd1 Ge2 Pd2 68.484(14) . . ?
C3 Ge2 Pd3 117.74(14) . . ?
C4 Ge2 Pd3 90.76(15) . . ?
Pd1 Ge2 Pd3 65.839(14) . . ?
Pd2 Ge2 Pd3 129.560(19) . . ?
C6 Ge3 C5 98.0(2) . . ?
C6 Ge3 Pd4 108.75(14) . . ?
C5 Ge3 Pd4 108.48(14) . . ?
C6 Ge3 Pd3 108.46(14) . 2_676 ?
C5 Ge3 Pd3 107.43(12) . 2_676 ?
Pd4 Ge3 Pd3 122.870(19) . 2_676 ?
C6 Ge3 Pd1 100.93(15) . 2_676 ?
C5 Ge3 Pd1 160.90(14) . 2_676 ?
Pd4 Ge3 Pd1 67.607(14) . 2_676 ?
Pd3 Ge3 Pd1 63.955(13) 2_676 2_676 ?
C6 Ge3 Pd1 157.82(15) . . ?
C5 Ge3 Pd1 104.04(14) . . ?
Pd4 Ge3 Pd1 66.636(13) . . ?
Pd3 Ge3 Pd1 62.496(12) 2_676 . ?
Pd1 Ge3 Pd1 56.946(13) 2_676 . ?
C39 O1 C40 118.3(7) . . ?
C7 N1 C8 177.3(6) . . ?
C12 N2 C13 173.1(5) . . ?
C20 N3 C21 176.2(6) . . ?
C25 N4 C26 170.9(5) . . ?
C30 N5 C31 159.1(8) . . ?
C30 N5 C35 165.9(7) . . ?
C31 N5 C35 34.5(5) . . ?
Ge1 C1 H1A 109.5 . . ?
Ge1 C1 H1B 109.4 . . ?
H1A C1 H1B 109.5 . . ?
Ge1 C1 H1C 109.4 . . ?
H1A C1 H1C 109.6 . . ?
H1B C1 H1C 109.5 . . ?
Ge1 C2 H2A 109.5 . . ?
Ge1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Ge1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.4 . . ?
H2B C2 H2C 109.5 . . ?
Ge2 C3 H3A 109.4 . . ?
Ge2 C3 H3B 109.4 . . ?
H3A C3 H3B 109.5 . . ?
Ge2 C3 H3C 109.4 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Ge2 C4 H4A 109.4 . . ?
Ge2 C4 H4B 109.3 . . ?
H4A C4 H4B 109.5 . . ?
Ge2 C4 H4C 109.4 . . ?
H4A C4 H4C 109.7 . . ?
H4B C4 H4C 109.5 . . ?
Ge3 C5 H5A 109.6 . . ?
Ge3 C5 H5B 109.6 . . ?
H5A C5 H5B 109.4 . . ?
Ge3 C5 H5C 109.6 . . ?
H5A C5 H5C 109.3 . . ?
H5B C5 H5C 109.3 . . ?
Ge3 C6 H6A 109.4 . . ?
Ge3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Ge3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.4 . . ?
H6B C6 H6C 109.6 . . ?
N1 C7 Pd2 168.2(4) . . ?
N1 C8 C10 108.1(5) . . ?
N1 C8 C9 108.6(4) . . ?
C10 C8 C9 115.9(6) . . ?
N1 C8 C11 106.4(5) . . ?
C10 C8 C11 111.1(6) . . ?
C9 C8 C11 106.5(6) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 109.3 . . ?
C8 C9 H9C 109.6 . . ?
H9A C9 H9C 109.6 . . ?
H9B C9 H9C 109.4 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.3 . . ?
H10A C10 H10B 109.3 . . ?
C8 C10 H10C 109.6 . . ?
H10A C10 H10C 109.7 . . ?
H10B C10 H10C 109.4 . . ?
C8 C11 H11A 109.2 . . ?
C8 C11 H11B 109.4 . . ?
H11A C11 H11B 110.0 . . ?
C8 C11 H11C 109.0 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.7 . . ?
N2 C12 Pd2 167.7(4) . . ?
C14 C13 N2 112.7(12) . . ?
C14 C13 C17 141.1(12) . . ?
N2 C13 C17 106.2(5) . . ?
C14 C13 C19 53.3(11) . . ?
N2 C13 C19 109.3(5) . . ?
C17 C13 C19 115.0(6) . . ?
C14 C13 C16 120.5(13) . . ?
N2 C13 C16 107.3(7) . . ?
C17 C13 C16 41.2(7) . . ?
C19 C13 C16 141.5(8) . . ?
C14 C13 C18 55.6(11) . . ?
N2 C13 C18 107.2(5) . . ?
C17 C13 C18 111.0(6) . . ?
C19 C13 C18 107.8(6) . . ?
C16 C13 C18 71.7(7) . . ?
C14 C13 C15 109.1(13) . . ?
N2 C13 C15 103.5(8) . . ?
C17 C13 C15 61.8(8) . . ?
C19 C13 C15 58.0(8) . . ?
C16 C13 C15 101.9(10) . . ?
C18 C13 C15 149.1(9) . . ?
C19 C14 C18 133(2) . . ?
C19 C14 C13 67.1(13) . . ?
C18 C14 C13 67.8(13) . . ?
C19 C15 C17 105.0(13) . . ?
C19 C15 C13 55.8(8) . . ?
C17 C15 C13 53.2(8) . . ?
C17 C16 C13 65.6(11) . . ?
C17 C16 C18 117.8(15) . . ?
C13 C16 C18 54.6(7) . . ?
C16 C17 C13 73.2(12) . . ?
C16 C17 C15 135.7(15) . . ?
C13 C17 C15 65.0(9) . . ?
C14 C18 C13 56.6(11) . . ?
C14 C18 C16 105.2(13) . . ?
C13 C18 C16 53.7(6) . . ?
C14 C19 C13 59.6(13) . . ?
C14 C19 C15 123.0(17) . . ?
C13 C19 C15 66.2(9) . . ?
N3 C20 Pd3 179.6(5) . . ?
C22 C21 N3 110.0(7) . . ?
C22 C21 C24 113.7(8) . . ?
N3 C21 C24 106.4(6) . . ?
C22 C21 C23 115.1(9) . . ?
N3 C21 C23 105.0(6) . . ?
C24 C21 C23 105.9(9) . . ?
C21 C22 H22A 109.1 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 110.2 . . ?
C21 C22 H22C 108.9 . . ?
H22A C22 H22C 109.2 . . ?
H22B C22 H22C 109.9 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.8 . . ?
H23A C23 H23B 109.1 . . ?
C21 C23 H23C 109.8 . . ?
H23A C23 H23C 109.0 . . ?
H23B C23 H23C 109.6 . . ?
C21 C24 H24A 109.4 . . ?
C21 C24 H24B 109.3 . . ?
H24A C24 H24B 109.7 . . ?
C21 C24 H24C 109.3 . . ?
H24A C24 H24C 109.7 . . ?
H24B C24 H24C 109.5 . . ?
N4 C25 Pd4 175.6(4) . . ?
N4 C26 C28 107.2(5) . . ?
N4 C26 C27 107.7(5) . . ?
C28 C26 C27 111.3(5) . . ?
N4 C26 C29 106.1(5) . . ?
C28 C26 C29 111.4(6) . . ?
C27 C26 C29 112.8(6) . . ?
C26 C27 H27A 109.3 . . ?
C26 C27 H27B 109.2 . . ?
H27A C27 H27B 109.3 . . ?
C26 C27 H27C 109.6 . . ?
H27A C27 H27C 109.8 . . ?
H27B C27 H27C 109.6 . . ?
C26 C28 H28A 109.7 . . ?
C26 C28 H28B 109.3 . . ?
H28A C28 H28B 109.3 . . ?
C26 C28 H28C 109.7 . . ?
H28A C28 H28C 109.7 . . ?
H28B C28 H28C 109.2 . . ?
C26 C29 H29A 109.6 . . ?
C26 C29 H29B 109.9 . . ?
H29A C29 H29B 109.4 . . ?
C26 C29 H29C 109.6 . . ?
H29A C29 H29C 108.9 . . ?
H29B C29 H29C 109.4 . . ?
N5 C30 Pd4 144.6(5) . . ?
N5 C30 Pd3 140.1(5) . . ?
Pd4 C30 Pd3 75.24(14) . . ?
C35 C31 C38 90.8(14) . . ?
C35 C31 N5 77.6(11) . . ?
C38 C31 N5 140.5(12) . . ?
C35 C31 C33 54.2(11) . . ?
C38 C31 C33 37.0(10) . . ?
N5 C31 C33 116.0(11) . . ?
C35 C31 C32 91.3(12) . . ?
C38 C31 C32 119.4(13) . . ?
N5 C31 C32 98.7(9) . . ?
C33 C31 C32 119.5(11) . . ?
C35 C31 C34 159.4(13) . . ?
C38 C31 C34 72.6(12) . . ?
N5 C31 C34 107.3(9) . . ?
C33 C31 C34 107.3(11) . . ?
C32 C31 C34 107.2(10) . . ?
C35 C31 C36 45.5(9) . . ?
C38 C31 C36 100.9(11) . . ?
N5 C31 C36 97.3(7) . . ?
C33 C31 C36 78.5(9) . . ?
C32 C31 C36 47.7(7) . . ?
C34 C31 C36 148.0(9) . . ?
C36 C32 C31 80.3(10) . . ?
C36 C32 C35 53.6(8) . . ?
C31 C32 C35 27.7(5) . . ?
C38 C33 C35 85.6(19) . . ?
C38 C33 C31 52.2(15) . . ?
C35 C33 C31 33.8(7) . . ?
C38 C33 C37 138(2) . . ?
C35 C33 C37 62.0(10) . . ?
C31 C33 C37 90.3(11) . . ?
C31 C34 C38 42.7(8) . . ?
C31 C35 C33 91.9(14) . . ?
C31 C35 N5 67.9(10) . . ?
C33 C35 N5 132.1(12) . . ?
C31 C35 C38 54.3(11) . . ?
C33 C35 C38 38.1(9) . . ?
N5 C35 C38 111.9(11) . . ?
C31 C35 C36 111.2(12) . . ?
C33 C35 C36 109.0(11) . . ?
N5 C35 C36 118.7(8) . . ?
C38 C35 C36 113.6(10) . . ?
C31 C35 C37 142.0(13) . . ?
C33 C35 C37 75.7(11) . . ?
N5 C35 C37 93.9(8) . . ?
C38 C35 C37 109.6(11) . . ?
C36 C35 C37 106.8(10) . . ?
C31 C35 C32 61.0(11) . . ?
C33 C35 C32 122.2(12) . . ?
N5 C35 C32 86.4(8) . . ?
C38 C35 C32 93.8(11) . . ?
C36 C35 C32 52.2(7) . . ?
C37 C35 C32 154.4(10) . . ?
C32 C36 C35 74.2(9) . . ?
C32 C36 C31 52.0(8) . . ?
C35 C36 C31 23.3(5) . . ?
C35 C37 C33 42.3(7) . . ?
C33 C38 C31 91(2) . . ?
C33 C38 C35 56.3(16) . . ?
C31 C38 C35 34.9(8) . . ?
C33 C38 C34 148(2) . . ?
C31 C38 C34 64.7(11) . . ?
C35 C38 C34 98.9(12) . . ?
C41 C40 O1 99.0(9) . . ?
C41 C40 C44 100.2(9) . . ?
O1 C40 C44 108.0(8) . . ?
C42 C41 C40 111.7(11) . . ?
C43 C42 C41 107.5(12) . . ?
C42 C43 C44 111.0(10) . . ?
C43 C44 C40 103.2(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C13 C14 C19 97.7(11) . . . . ?
C17 C13 C14 C19 -85(2) . . . . ?
C16 C13 C14 C19 -133.9(12) . . . . ?
C18 C13 C14 C19 -166.3(17) . . . . ?
C15 C13 C14 C19 -16.7(16) . . . . ?
N2 C13 C14 C18 -95.9(10) . . . . ?
C17 C13 C14 C18 81.1(19) . . . . ?
C19 C13 C14 C18 166.3(17) . . . . ?
C16 C13 C14 C18 32.4(16) . . . . ?
C15 C13 C14 C18 149.6(10) . . . . ?
C14 C13 C15 C19 15.8(15) . . . . ?
N2 C13 C15 C19 -104.5(8) . . . . ?
C17 C13 C15 C19 154.2(11) . . . . ?
C16 C13 C15 C19 144.3(9) . . . . ?
C18 C13 C15 C19 70.1(18) . . . . ?
C14 C13 C15 C17 -138.5(13) . . . . ?
N2 C13 C15 C17 101.3(7) . . . . ?
C19 C13 C15 C17 -154.2(11) . . . . ?
C16 C13 C15 C17 -9.9(10) . . . . ?
C18 C13 C15 C17 -84.1(17) . . . . ?
C14 C13 C16 C17 134.2(15) . . . . ?
N2 C13 C16 C17 -95.0(10) . . . . ?
C19 C13 C16 C17 66.1(16) . . . . ?
C18 C13 C16 C17 162.0(12) . . . . ?
C15 C13 C16 C17 13.4(13) . . . . ?
C14 C13 C16 C18 -27.8(14) . . . . ?
N2 C13 C16 C18 103.0(6) . . . . ?
C17 C13 C16 C18 -162.0(12) . . . . ?
C19 C13 C16 C18 -95.9(12) . . . . ?
C15 C13 C16 C18 -148.6(9) . . . . ?
C18 C16 C17 C13 16.5(11) . . . . ?
C13 C16 C17 C15 -19.4(19) . . . . ?
C18 C16 C17 C15 -3(3) . . . . ?
C14 C13 C17 C16 -79(2) . . . . ?
N2 C13 C17 C16 97.9(11) . . . . ?
C19 C13 C17 C16 -141.1(12) . . . . ?
C18 C13 C17 C16 -18.3(12) . . . . ?
C15 C13 C17 C16 -165.1(15) . . . . ?
C14 C13 C17 C15 86(2) . . . . ?
N2 C13 C17 C15 -96.9(9) . . . . ?
C19 C13 C17 C15 24.0(10) . . . . ?
C16 C13 C17 C15 165.1(15) . . . . ?
C18 C13 C17 C15 146.8(9) . . . . ?
C19 C15 C17 C16 -1(3) . . . . ?
C13 C15 C17 C16 21(2) . . . . ?
C19 C15 C17 C13 -21.9(9) . . . . ?
C19 C14 C18 C13 17(2) . . . . ?
C19 C14 C18 C16 -7(3) . . . . ?
C13 C14 C18 C16 -23.9(12) . . . . ?
N2 C13 C18 C14 106.1(14) . . . . ?
C17 C13 C18 C14 -138.3(15) . . . . ?
C19 C13 C18 C14 -11.5(15) . . . . ?
C16 C13 C18 C14 -150.9(16) . . . . ?
C15 C13 C18 C14 -68(2) . . . . ?
C14 C13 C18 C16 150.9(16) . . . . ?
N2 C13 C18 C16 -103.0(8) . . . . ?
C17 C13 C18 C16 12.6(8) . . . . ?
C19 C13 C18 C16 139.5(9) . . . . ?
C15 C13 C18 C16 82.6(19) . . . . ?
C17 C16 C18 C14 6(2) . . . . ?
C13 C16 C18 C14 24.8(13) . . . . ?
C17 C16 C18 C13 -18.6(12) . . . . ?
C18 C14 C19 C13 -17(2) . . . . ?
C18 C14 C19 C15 3(4) . . . . ?
C13 C14 C19 C15 20.4(19) . . . . ?
N2 C13 C19 C14 -104.4(15) . . . . ?
C17 C13 C19 C14 136.3(15) . . . . ?
C16 C13 C19 C14 94.6(19) . . . . ?
C18 C13 C19 C14 11.8(15) . . . . ?
C15 C13 C19 C14 161.3(18) . . . . ?
C14 C13 C19 C15 -161.3(18) . . . . ?
N2 C13 C19 C15 94.2(10) . . . . ?
C17 C13 C19 C15 -25.0(11) . . . . ?
C16 C13 C19 C15 -66.7(16) . . . . ?
C18 C13 C19 C15 -149.5(10) . . . . ?
C17 C15 C19 C14 2(2) . . . . ?
C13 C15 C19 C14 -19.2(18) . . . . ?
C17 C15 C19 C13 21.1(9) . . . . ?
C31 N5 C30 Pd4 -156.4(17) . . . . ?
C35 N5 C30 Pd4 45(4) . . . . ?
C31 N5 C30 Pd3 26(2) . . . . ?
C35 N5 C30 Pd3 -133(3) . . . . ?
C30 N5 C31 C35 -171(2) . . . . ?
C30 N5 C31 C38 113(3) . . . . ?
C35 N5 C31 C38 -76(2) . . . . ?
C30 N5 C31 C33 149.5(19) . . . . ?
C35 N5 C31 C33 -39.5(11) . . . . ?
C30 N5 C31 C32 -82(2) . . . . ?
C35 N5 C31 C32 89.5(12) . . . . ?
C30 N5 C31 C34 30(2) . . . . ?
C35 N5 C31 C34 -159.3(14) . . . . ?
C30 N5 C31 C36 -130(2) . . . . ?
C35 N5 C31 C36 41.3(9) . . . . ?
C35 C31 C32 C36 -14.4(12) . . . . ?
C38 C31 C32 C36 77.3(17) . . . . ?
N5 C31 C32 C36 -92.1(10) . . . . ?
C33 C31 C32 C36 34.5(15) . . . . ?
C34 C31 C32 C36 156.6(9) . . . . ?
C38 C31 C32 C35 91.6(18) . . . . ?
N5 C31 C32 C35 -77.7(11) . . . . ?
C33 C31 C32 C35 48.8(13) . . . . ?
C34 C31 C32 C35 171.0(15) . . . . ?
C36 C31 C32 C35 14.4(12) . . . . ?
C35 C31 C33 C38 169(2) . . . . ?
N5 C31 C33 C38 -141.3(19) . . . . ?
C32 C31 C33 C38 101(2) . . . . ?
C34 C31 C33 C38 -21(2) . . . . ?
C36 C31 C33 C38 126.1(19) . . . . ?
C38 C31 C33 C35 -169(2) . . . . ?
N5 C31 C33 C35 49.9(13) . . . . ?
C32 C31 C33 C35 -68.0(15) . . . . ?
C34 C31 C33 C35 169.8(15) . . . . ?
C36 C31 C33 C35 -42.7(11) . . . . ?
C35 C31 C33 C37 -31.6(12) . . . . ?
C38 C31 C33 C37 160(2) . . . . ?
N5 C31 C33 C37 18.4(13) . . . . ?
C32 C31 C33 C37 -99.6(13) . . . . ?
C34 C31 C33 C37 138.3(10) . . . . ?
C36 C31 C33 C37 -74.3(8) . . . . ?
C35 C31 C34 C38 37(4) . . . . ?
N5 C31 C34 C38 138.6(13) . . . . ?
C33 C31 C34 C38 13.3(12) . . . . ?
C32 C31 C34 C38 -116.2(13) . . . . ?
C36 C31 C34 C38 -82.6(17) . . . . ?
C38 C31 C35 C33 6.7(15) . . . . ?
N5 C31 C35 C33 -135.2(10) . . . . ?
C32 C31 C35 C33 126.2(11) . . . . ?
C34 C31 C35 C33 -29(4) . . . . ?
C36 C31 C35 C33 111.3(14) . . . . ?
C38 C31 C35 N5 141.9(11) . . . . ?
C33 C31 C35 N5 135.2(10) . . . . ?
C32 C31 C35 N5 -98.6(8) . . . . ?
C34 C31 C35 N5 107(4) . . . . ?
C36 C31 C35 N5 -113.5(10) . . . . ?
N5 C31 C35 C38 -141.9(11) . . . . ?
C33 C31 C35 C38 -6.7(15) . . . . ?
C32 C31 C35 C38 119.5(13) . . . . ?
C34 C31 C35 C38 -35(4) . . . . ?
C36 C31 C35 C38 104.6(13) . . . . ?
C38 C31 C35 C36 -104.6(13) . . . . ?
N5 C31 C35 C36 113.5(10) . . . . ?
C33 C31 C35 C36 -111.3(14) . . . . ?
C32 C31 C35 C36 14.9(12) . . . . ?
C34 C31 C35 C36 -140(3) . . . . ?
C38 C31 C35 C37 76(2) . . . . ?
N5 C31 C35 C37 -66(2) . . . . ?
C33 C31 C35 C37 69(2) . . . . ?
C32 C31 C35 C37 -164.9(18) . . . . ?
C34 C31 C35 C37 40(5) . . . . ?
C36 C31 C35 C37 -180(3) . . . . ?
C38 C31 C35 C32 -119.5(13) . . . . ?
N5 C31 C35 C32 98.6(8) . . . . ?
C33 C31 C35 C32 -126.2(11) . . . . ?
C34 C31 C35 C32 -155(4) . . . . ?
C36 C31 C35 C32 -14.9(12) . . . . ?
C38 C33 C35 C31 -8.9(19) . . . . ?
C37 C33 C35 C31 143.6(13) . . . . ?
C38 C33 C35 N5 -70(2) . . . . ?
C31 C33 C35 N5 -61.5(16) . . . . ?
C37 C33 C35 N5 82.1(15) . . . . ?
C31 C33 C35 C38 8.9(19) . . . . ?
C37 C33 C35 C38 152.5(19) . . . . ?
C38 C33 C35 C36 104.3(18) . . . . ?
C31 C33 C35 C36 113.2(14) . . . . ?
C37 C33 C35 C36 -103.2(11) . . . . ?
C38 C33 C35 C37 -152.5(19) . . . . ?
C31 C33 C35 C37 -143.6(13) . . . . ?
C38 C33 C35 C32 48(2) . . . . ?
C31 C33 C35 C32 56.5(13) . . . . ?
C37 C33 C35 C32 -159.9(14) . . . . ?
C30 N5 C35 C31 167(3) . . . . ?
C30 N5 C35 C33 -122(3) . . . . ?
C31 N5 C35 C33 71.5(18) . . . . ?
C30 N5 C35 C38 -160(3) . . . . ?
C31 N5 C35 C38 32.7(11) . . . . ?
C30 N5 C35 C36 64(4) . . . . ?
C31 N5 C35 C36 -102.8(14) . . . . ?
C30 N5 C35 C37 -47(3) . . . . ?
C31 N5 C35 C37 145.6(13) . . . . ?
C30 N5 C35 C32 107(3) . . . . ?
C31 N5 C35 C32 -60.0(11) . . . . ?
C36 C32 C35 C31 162.3(15) . . . . ?
C36 C32 C35 C33 90.0(16) . . . . ?
C31 C32 C35 C33 -72.3(16) . . . . ?
C36 C32 C35 N5 -131.1(10) . . . . ?
C31 C32 C35 N5 66.6(11) . . . . ?
C36 C32 C35 C38 117.2(11) . . . . ?
C31 C32 C35 C38 -45.1(12) . . . . ?
C31 C32 C35 C36 -162.3(15) . . . . ?
C36 C32 C35 C37 -40(2) . . . . ?
C31 C32 C35 C37 158(3) . . . . ?
C31 C32 C36 C35 8.2(7) . . . . ?
C35 C32 C36 C31 -8.2(7) . . . . ?
C31 C35 C36 C32 -16.6(14) . . . . ?
C33 C35 C36 C32 -116.4(15) . . . . ?
N5 C35 C36 C32 59.1(12) . . . . ?
C38 C35 C36 C32 -75.7(14) . . . . ?
C37 C35 C36 C32 163.3(11) . . . . ?
C33 C35 C36 C31 -99.9(17) . . . . ?
N5 C35 C36 C31 75.6(13) . . . . ?
C38 C35 C36 C31 -59.1(14) . . . . ?
C37 C35 C36 C31 179.9(17) . . . . ?
C32 C35 C36 C31 16.6(14) . . . . ?
C31 C35 C37 C33 -74(2) . . . . ?
N5 C35 C37 C33 -132.5(12) . . . . ?
C38 C35 C37 C33 -17.6(12) . . . . ?
C36 C35 C37 C33 105.9(12) . . . . ?
C32 C35 C37 C33 138(3) . . . . ?
C38 C33 C37 C35 44(3) . . . . ?
C31 C33 C37 C35 19.3(7) . . . . ?
C35 C33 C38 C31 6.2(13) . . . . ?
C37 C33 C38 C31 -31(3) . . . . ?
C31 C33 C38 C35 -6.2(13) . . . . ?
C37 C33 C38 C35 -38(2) . . . . ?
C35 C33 C38 C34 45(4) . . . . ?
C31 C33 C38 C34 38(3) . . . . ?
C37 C33 C38 C34 7(6) . . . . ?
C35 C31 C38 C33 -9(2) . . . . ?
N5 C31 C38 C33 62(3) . . . . ?
C32 C31 C38 C33 -101(2) . . . . ?
C34 C31 C38 C33 159(2) . . . . ?
C36 C31 C38 C33 -53.7(18) . . . . ?
N5 C31 C38 C35 71(2) . . . . ?
C33 C31 C38 C35 9(2) . . . . ?
C32 C31 C38 C35 -92.0(16) . . . . ?
C34 C31 C38 C35 167.7(13) . . . . ?
C36 C31 C38 C35 -44.7(9) . . . . ?
C35 C31 C38 C34 -167.7(13) . . . . ?
N5 C31 C38 C34 -96(2) . . . . ?
C33 C31 C38 C34 -159(2) . . . . ?
C32 C31 C38 C34 100.3(14) . . . . ?
C36 C31 C38 C34 147.7(9) . . . . ?
C31 C35 C38 C33 169(2) . . . . ?
N5 C35 C38 C33 131.1(18) . . . . ?
C36 C35 C38 C33 -91.1(19) . . . . ?
C37 C35 C38 C33 28.3(19) . . . . ?
C32 C35 C38 C33 -141.2(18) . . . . ?
C33 C35 C38 C31 -169(2) . . . . ?
N5 C35 C38 C31 -38.0(12) . . . . ?
C36 C35 C38 C31 99.8(15) . . . . ?
C37 C35 C38 C31 -140.7(15) . . . . ?
C32 C35 C38 C31 49.7(12) . . . . ?
C31 C35 C38 C34 11.3(12) . . . . ?
C33 C35 C38 C34 -158(2) . . . . ?
N5 C35 C38 C34 -26.7(13) . . . . ?
C36 C35 C38 C34 111.1(12) . . . . ?
C37 C35 C38 C34 -129.5(11) . . . . ?
C32 C35 C38 C34 61.0(11) . . . . ?
C31 C34 C38 C33 -43(4) . . . . ?
C31 C34 C38 C35 -7.1(7) . . . . ?
C39 O1 C40 C41 -70.4(10) . . . . ?
C39 O1 C40 C44 -174.3(8) . . . . ?
O1 C40 C41 C42 -86.1(12) . . . . ?
C44 C40 C41 C42 24.1(13) . . . . ?
C40 C41 C42 C43 -15.4(16) . . . . ?
C41 C42 C43 C44 -2.1(15) . . . . ?
C42 C43 C44 C40 16.5(13) . . . . ?
C41 C40 C44 C43 -23.5(10) . . . . ?
O1 C40 C44 C43 79.5(9) . . . . ?

#==============================================================================

#==============================================================================
# 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
#==============================================================================
