# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_C1
_database_code_depnum_ccdc_archive 'CCDC 1486526'
_audit_update_record             
;
2016-06-19 deposited with the CCDC.
2016-08-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C47 H47 Cl2 N3 O Pd'
_chemical_formula_weight         847.18

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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

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

_cell_length_a                   11.50290(10)
_cell_length_b                   18.5947(2)
_cell_length_c                   19.8118(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.2830(10)
_cell_angle_gamma                90.00
_cell_volume                     4169.54(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_exptl_absorpt_coefficient_mu    0.612
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.7746
_exptl_absorpt_correction_T_max  0.9701
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35098
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.49
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7334
_reflns_number_gt                6380
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0228P)²+3.4235P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7334
_refine_ls_number_parameters     493
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0637
_refine_ls_wR_factor_gt          0.0596
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.450845(13) 0.846585(8) 0.817155(8) 0.01896(6) Uani 1 1 d . . .
Cl1 Cl 0.40325(5) 0.83697(3) 0.92282(3) 0.03188(13) Uani 1 1 d . . .
Cl2 Cl 0.27917(5) 0.79170(3) 0.76859(3) 0.02975(13) Uani 1 1 d . . .
N1 N 0.60981(14) 0.89207(9) 0.85164(8) 0.0202(4) Uani 1 1 d . . .
C24 C 0.43631(18) 0.85100(11) 0.66010(10) 0.0204(4) Uani 1 1 d . . .
C7 C 0.71480(18) 0.84936(11) 0.96243(10) 0.0222(4) Uani 1 1 d . . .
N2 N 0.50683(14) 0.86374(9) 0.72707(8) 0.0193(4) Uani 1 1 d . . .
C32 C 0.20823(18) 0.99666(11) 0.66872(11) 0.0236(5) Uani 1 1 d . . .
C31 C 0.33391(18) 0.96748(11) 0.67803(11) 0.0231(5) Uani 1 1 d . . .
H31 H 0.3547 0.9536 0.7264 0.028 Uiso 1 1 calc R . .
C23 C 0.60936(18) 0.89242(12) 0.73419(11) 0.0253(5) Uani 1 1 d . . .
H23 H 0.6442 0.9035 0.6966 0.030 Uiso 1 1 calc R . .
C38 C 0.42547(18) 1.02381(11) 0.66644(11) 0.0237(5) Uani 1 1 d . . .
C29 C 0.34532(18) 0.89958(11) 0.63717(10) 0.0216(4) Uani 1 1 d . . .
C1 C 0.66914(19) 0.90686(11) 0.80444(11) 0.0253(5) Uani 1 1 d . . .
H1 H 0.7453 0.9256 0.8142 0.030 Uiso 1 1 calc R . .
C3 C 0.64341(19) 0.97340(12) 0.94964(11) 0.0262(5) Uani 1 1 d . . .
C33 C 0.12941(19) 0.96417(12) 0.70466(11) 0.0272(5) Uani 1 1 d . . .
H33 H 0.1535 0.9245 0.7322 0.033 Uiso 1 1 calc R . .
C2 C 0.65956(18) 0.90583(11) 0.92274(10) 0.0225(4) Uani 1 1 d . . .
C6 C 0.75557(19) 0.86273(12) 1.03180(11) 0.0277(5) Uani 1 1 d . . .
H2 H 0.7925 0.8259 1.0594 0.033 Uiso 1 1 calc R . .
C27 C 0.28838(18) 0.82413(12) 0.53675(11) 0.0257(5) Uani 1 1 d . . .
C10 C 0.75121(19) 0.71514(11) 0.97997(11) 0.0253(5) Uani 1 1 d . . .
C39 C 0.4774(2) 1.02462(12) 0.60849(11) 0.0306(5) Uani 1 1 d . . .
H39 H 0.4554 0.9904 0.5744 0.037 Uiso 1 1 calc R . .
C4 C 0.6868(2) 0.98401(12) 1.01940(11) 0.0301(5) Uani 1 1 d . . .
H4 H 0.6780 1.0289 1.0386 0.036 Uiso 1 1 calc R . .
C16 C 0.81603(19) 0.78001(12) 0.87974(11) 0.0262(5) Uani 1 1 d . . .
C34 C 0.0157(2) 0.98992(13) 0.70015(12) 0.0323(5) Uani 1 1 d . . .
H34 H -0.0359 0.9677 0.7248 0.039 Uiso 1 1 calc R . .
C9 C 0.72765(18) 0.77686(11) 0.92874(11) 0.0237(5) Uani 1 1 d . . .
H9 H 0.6507 0.7667 0.9002 0.028 Uiso 1 1 calc R . .
C26 C 0.37993(19) 0.77787(12) 0.56169(11) 0.0268(5) Uani 1 1 d . . .
H26 H 0.3910 0.7373 0.5362 0.032 Uiso 1 1 calc R . .
C25 C 0.45649(18) 0.78980(11) 0.62377(11) 0.0242(5) Uani 1 1 d . . .
C5 C 0.7425(2) 0.92961(13) 1.06088(11) 0.0310(5) Uani 1 1 d . . .
C43 C 0.4599(2) 1.07597(13) 0.71623(12) 0.0335(5) Uani 1 1 d . . .
H43 H 0.4264 1.0763 0.7556 0.040 Uiso 1 1 calc R . .
C15 C 0.6561(2) 0.67928(12) 0.99824(12) 0.0306(5) Uani 1 1 d . . .
H15 H 0.5797 0.6933 0.9792 0.037 Uiso 1 1 calc R . .
C28 C 0.27253(18) 0.88501(12) 0.57472(10) 0.0247(5) Uani 1 1 d . . .
H28 H 0.2118 0.9168 0.5580 0.030 Uiso 1 1 calc R . .
C35 C -0.0212(2) 1.04803(13) 0.65952(13) 0.0385(6) Uani 1 1 d . . .
H35 H -0.0976 1.0657 0.6567 0.046 Uiso 1 1 calc R . .
C30 C 0.5560(2) 0.73835(13) 0.64886(12) 0.0323(5) Uani 1 1 d . . .
H30A H 0.6292 0.7587 0.6411 0.048 Uiso 1 1 calc R . .
H30B H 0.5419 0.6937 0.6245 0.048 Uiso 1 1 calc R . .
H30C H 0.5603 0.7299 0.6970 0.048 Uiso 1 1 calc R . .
C11 C 0.8641(2) 0.69336(13) 1.01000(12) 0.0350(6) Uani 1 1 d . . .
H11 H 0.9293 0.7170 0.9987 0.042 Uiso 1 1 calc R . .
C21 C 0.9188(2) 0.81987(14) 0.89383(13) 0.0366(6) Uani 1 1 d . . .
H21 H 0.9360 0.8455 0.9347 0.044 Uiso 1 1 calc R . .
C8 C 0.5788(2) 1.03260(12) 0.90629(12) 0.0350(6) Uani 1 1 d . . .
H8A H 0.6226 1.0461 0.8713 0.053 Uiso 1 1 calc R . .
H8B H 0.5708 1.0735 0.9347 0.053 Uiso 1 1 calc R . .
H8C H 0.5019 1.0159 0.8852 0.053 Uiso 1 1 calc R . .
C44 C 0.2060(2) 0.80860(14) 0.46983(11) 0.0338(5) Uani 1 1 d . . .
H44A H 0.2421 0.7743 0.4438 0.051 Uiso 1 1 calc R . .
H44B H 0.1905 0.8523 0.4440 0.051 Uiso 1 1 calc R . .
H44C H 0.1330 0.7894 0.4792 0.051 Uiso 1 1 calc R . .
C42 C 0.5431(2) 1.12751(14) 0.70810(14) 0.0417(6) Uani 1 1 d . . .
H42 H 0.5646 1.1623 0.7417 0.050 Uiso 1 1 calc R . .
C40 C 0.5619(2) 1.07591(13) 0.60068(13) 0.0366(6) Uani 1 1 d . . .
H40 H 0.5966 1.0753 0.5617 0.044 Uiso 1 1 calc R . .
C14 C 0.6729(2) 0.62300(14) 1.04429(13) 0.0400(6) Uani 1 1 d . . .
H14 H 0.6079 0.5994 1.0558 0.048 Uiso 1 1 calc R . .
C17 C 0.7921(2) 0.74282(14) 0.81804(13) 0.0389(6) Uani 1 1 d . . .
H17 H 0.7240 0.7150 0.8078 0.047 Uiso 1 1 calc R . .
C41 C 0.5943(2) 1.12731(14) 0.65002(13) 0.0389(6) Uani 1 1 d . . .
H41 H 0.6504 1.1618 0.6445 0.047 Uiso 1 1 calc R . .
C37 C 0.1701(2) 1.05447(14) 0.62753(15) 0.0445(7) Uani 1 1 d . . .
H37 H 0.2212 1.0767 0.6025 0.053 Uiso 1 1 calc R . .
C12 C 0.8812(2) 0.63694(14) 1.05652(14) 0.0437(7) Uani 1 1 d . . .
H12 H 0.9574 0.6231 1.0763 0.052 Uiso 1 1 calc R . .
C13 C 0.7856(2) 0.60144(14) 1.07336(13) 0.0424(6) Uani 1 1 d . . .
H13 H 0.7967 0.5632 1.1041 0.051 Uiso 1 1 calc R . .
C22 C 0.7862(3) 0.94263(15) 1.13657(12) 0.0475(7) Uani 1 1 d . . .
H22A H 0.7476 0.9100 1.1629 0.071 Uiso 1 1 calc R . .
H22B H 0.7686 0.9912 1.1478 0.071 Uiso 1 1 calc R . .
H22C H 0.8700 0.9350 1.1470 0.071 Uiso 1 1 calc R . .
C20 C 0.9973(2) 0.82227(16) 0.84772(15) 0.0487(7) Uani 1 1 d . . .
H20 H 1.0671 0.8483 0.8585 0.058 Uiso 1 1 calc R . .
C36 C 0.0556(2) 1.07988(15) 0.62311(16) 0.0537(8) Uani 1 1 d . . .
H36 H 0.0306 1.1191 0.5951 0.064 Uiso 1 1 calc R . .
C19 C 0.9712(3) 0.78621(18) 0.78651(16) 0.0570(8) Uani 1 1 d . . .
H19 H 1.0226 0.7884 0.7553 0.068 Uiso 1 1 calc R . .
C18 C 0.8686(3) 0.74664(18) 0.77154(15) 0.0564(8) Uani 1 1 d . . .
H18 H 0.8505 0.7224 0.7299 0.068 Uiso 1 1 calc R . .
O1 O 0.8117(2) 0.03306(12) 0.78884(13) 0.0712(7) Uani 1 1 d . . .
N3 N 0.8796(2) 0.11840(15) 0.86888(13) 0.0550(6) Uani 1 1 d . . .
C45 C 0.8325(3) 0.09535(17) 0.80668(17) 0.0534(8) Uani 1 1 d . . .
H45 H 0.8133 0.1303 0.7730 0.064 Uiso 1 1 calc R . .
C46 C 0.9125(4) 0.0675(3) 0.9231(2) 0.1134(18) Uani 1 1 d . . .
H46A H 0.8661 0.0755 0.9582 0.170 Uiso 1 1 calc R . .
H46B H 0.9947 0.0731 0.9423 0.170 Uiso 1 1 calc R . .
H46C H 0.8987 0.0196 0.9054 0.170 Uiso 1 1 calc R . .
C47 C 0.8976(4) 0.1942(2) 0.8818(2) 0.0955(14) Uani 1 1 d . . .
H47A H 0.8626 0.2209 0.8418 0.143 Uiso 1 1 calc R . .
H47B H 0.9807 0.2042 0.8923 0.143 Uiso 1 1 calc R . .
H47C H 0.8614 0.2081 0.9199 0.143 Uiso 1 1 calc R . .


_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 N1 2.0198(17) . ?
Pd1 N2 2.0278(16) . ?
Pd1 Cl1 2.2635(5) . ?
Pd1 Cl2 2.2778(5) . ?
N1 C1 1.282(3) . ?
N1 C2 1.446(3) . ?
C24 C25 1.388(3) . ?
C24 C29 1.396(3) . ?
C24 N2 1.446(3) . ?
C7 C6 1.393(3) . ?
C7 C2 1.395(3) . ?
C7 C9 1.523(3) . ?
N2 C23 1.279(3) . ?
C32 C37 1.374(3) . ?
C32 C33 1.387(3) . ?
C32 C31 1.524(3) . ?
C31 C29 1.518(3) . ?
C31 C38 1.531(3) . ?
C31 H31 0.9800 . ?
C23 C1 1.463(3) . ?
C23 H23 0.9300 . ?
C38 C39 1.386(3) . ?
C38 C43 1.390(3) . ?
C29 C28 1.391(3) . ?
C1 H1 0.9300 . ?
C3 C2 1.390(3) . ?
C3 C4 1.397(3) . ?
C3 C8 1.508(3) . ?
C33 C34 1.380(3) . ?
C33 H33 0.9300 . ?
C6 C5 1.390(3) . ?
C6 H2 0.9300 . ?
C27 C26 1.381(3) . ?
C27 C28 1.389(3) . ?
C27 C44 1.514(3) . ?
C10 C15 1.384(3) . ?
C10 C11 1.389(3) . ?
C10 C9 1.524(3) . ?
C39 C40 1.390(3) . ?
C39 H39 0.9300 . ?
C4 C5 1.386(3) . ?
C4 H4 0.9300 . ?
C16 C21 1.381(3) . ?
C16 C17 1.389(3) . ?
C16 C9 1.527(3) . ?
C34 C35 1.369(3) . ?
C34 H34 0.9300 . ?
C9 H9 0.9800 . ?
C26 C25 1.397(3) . ?
C26 H26 0.9300 . ?
C25 C30 1.506(3) . ?
C5 C22 1.514(3) . ?
C43 C42 1.384(3) . ?
C43 H43 0.9300 . ?
C15 C14 1.379(3) . ?
C15 H15 0.9300 . ?
C28 H28 0.9300 . ?
C35 C36 1.370(4) . ?
C35 H35 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9300 . ?
C21 C20 1.394(4) . ?
C21 H21 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C42 C41 1.383(4) . ?
C42 H42 0.9300 . ?
C40 C41 1.370(3) . ?
C40 H40 0.9300 . ?
C14 C13 1.381(4) . ?
C14 H14 0.9300 . ?
C17 C18 1.384(4) . ?
C17 H17 0.9300 . ?
C41 H41 0.9300 . ?
C37 C36 1.387(3) . ?
C37 H37 0.9300 . ?
C12 C13 1.374(4) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C20 C19 1.371(4) . ?
C20 H20 0.9300 . ?
C36 H36 0.9300 . ?
C19 C18 1.378(4) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
O1 C45 1.222(3) . ?
N3 C45 1.326(4) . ?
N3 C46 1.432(4) . ?
N3 C47 1.441(5) . ?
C45 H45 0.9300 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pd1 N2 79.70(7) . . ?
N1 Pd1 Cl1 94.25(5) . . ?
N2 Pd1 Cl1 173.55(5) . . ?
N1 Pd1 Cl2 174.11(5) . . ?
N2 Pd1 Cl2 94.95(5) . . ?
Cl1 Pd1 Cl2 91.18(2) . . ?
C1 N1 C2 120.20(17) . . ?
C1 N1 Pd1 114.26(14) . . ?
C2 N1 Pd1 125.50(13) . . ?
C25 C24 C29 123.16(19) . . ?
C25 C24 N2 119.46(18) . . ?
C29 C24 N2 117.26(17) . . ?
C6 C7 C2 117.45(19) . . ?
C6 C7 C9 123.26(19) . . ?
C2 C7 C9 119.29(18) . . ?
C23 N2 C24 121.65(17) . . ?
C23 N2 Pd1 113.58(14) . . ?
C24 N2 Pd1 124.58(13) . . ?
C37 C32 C33 118.5(2) . . ?
C37 C32 C31 123.1(2) . . ?
C33 C32 C31 118.40(19) . . ?
C29 C31 C32 113.70(17) . . ?
C29 C31 C38 111.20(17) . . ?
C32 C31 C38 113.66(17) . . ?
C29 C31 H31 105.8 . . ?
C32 C31 H31 105.8 . . ?
C38 C31 H31 105.8 . . ?
N2 C23 C1 116.68(19) . . ?
N2 C23 H23 121.7 . . ?
C1 C23 H23 121.7 . . ?
C39 C38 C43 118.0(2) . . ?
C39 C38 C31 122.78(19) . . ?
C43 C38 C31 119.17(19) . . ?
C28 C29 C24 117.44(19) . . ?
C28 C29 C31 122.72(19) . . ?
C24 C29 C31 119.73(18) . . ?
N1 C1 C23 115.69(19) . . ?
N1 C1 H1 122.2 . . ?
C23 C1 H1 122.2 . . ?
C2 C3 C4 117.3(2) . . ?
C2 C3 C8 121.83(19) . . ?
C4 C3 C8 120.9(2) . . ?
C34 C33 C32 120.9(2) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C3 C2 C7 122.87(19) . . ?
C3 C2 N1 118.48(18) . . ?
C7 C2 N1 118.51(18) . . ?
C5 C6 C7 121.8(2) . . ?
C5 C6 H2 119.1 . . ?
C7 C6 H2 119.1 . . ?
C26 C27 C28 118.6(2) . . ?
C26 C27 C44 120.9(2) . . ?
C28 C27 C44 120.5(2) . . ?
C15 C10 C11 118.0(2) . . ?
C15 C10 C9 118.83(19) . . ?
C11 C10 C9 123.1(2) . . ?
C38 C39 C40 120.9(2) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C5 C4 C3 121.9(2) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C21 C16 C17 118.2(2) . . ?
C21 C16 C9 122.4(2) . . ?
C17 C16 C9 119.4(2) . . ?
C35 C34 C33 120.2(2) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C7 C9 C10 113.22(17) . . ?
C7 C9 C16 111.86(17) . . ?
C10 C9 C16 113.13(17) . . ?
C7 C9 H9 106.0 . . ?
C10 C9 H9 106.0 . . ?
C16 C9 H9 106.0 . . ?
C27 C26 C25 122.5(2) . . ?
C27 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C24 C25 C26 116.70(19) . . ?
C24 C25 C30 122.49(19) . . ?
C26 C25 C30 120.81(19) . . ?
C4 C5 C6 118.7(2) . . ?
C4 C5 C22 120.5(2) . . ?
C6 C5 C22 120.8(2) . . ?
C42 C43 C38 121.1(2) . . ?
C42 C43 H43 119.5 . . ?
C38 C43 H43 119.5 . . ?
C14 C15 C10 121.0(2) . . ?
C14 C15 H15 119.5 . . ?
C10 C15 H15 119.5 . . ?
C27 C28 C29 121.6(2) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 H28 119.2 . . ?
C34 C35 C36 119.3(2) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C12 C11 C10 121.1(2) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C16 C21 C20 121.0(2) . . ?
C16 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C27 C44 H44A 109.5 . . ?
C27 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C27 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C41 C42 C43 120.1(2) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C41 C40 C39 120.4(2) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C15 C14 C13 120.4(2) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C18 C17 C16 120.7(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C40 C41 C42 119.5(2) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C32 C37 C36 120.2(2) . . ?
C32 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C13 C12 C11 120.0(2) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 119.5(2) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C5 C22 H22A 109.5 . . ?
C5 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C5 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C20 C21 119.9(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C35 C36 C37 120.9(2) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C45 N3 C46 119.6(3) . . ?
C45 N3 C47 120.2(3) . . ?
C46 N3 C47 120.2(3) . . ?
O1 C45 N3 127.0(3) . . ?
O1 C45 H45 116.5 . . ?
N3 C45 H45 116.5 . . ?
N3 C46 H46A 109.5 . . ?
N3 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N3 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N3 C47 H47A 109.5 . . ?
N3 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N3 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.053
####################################################################### 
# 
# 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_C3
_database_code_depnum_ccdc_archive 'CCDC 1486527'
_audit_update_record             
;
2016-06-19 deposited with the CCDC.
2016-08-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H52 Cl6 N2 Pd'
_chemical_formula_weight         1096.12

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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6016(16)
_cell_length_b                   13.0528(17)
_cell_length_c                   17.415(2)
_cell_angle_alpha                98.852(2)
_cell_angle_beta                 107.463(2)
_cell_angle_gamma                105.279(2)
_cell_volume                     2550.0(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5334
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.00

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1124
_exptl_absorpt_coefficient_mu    0.719
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.7474
_exptl_absorpt_correction_T_max  0.8755
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21400
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.27
_diffrn_reflns_theta_max         27.09
_reflns_number_total             10873
_reflns_number_gt                8775
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0463P)²+2.1648P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10873
_refine_ls_number_parameters     608
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.1003
_refine_ls_wR_factor_gt          0.0919
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C58 C 0.3531(4) 0.7772(4) 0.3093(3) 0.0724(14) Uani 1 1 d . . .
H58A H 0.3426 0.8249 0.3545 0.087 Uiso 1 1 calc R . .
H58B H 0.2864 0.7074 0.2890 0.087 Uiso 1 1 calc R . .
C57 C 0.1781(4) 0.8664(4) 0.4510(4) 0.0794(15) Uani 1 1 d . . .
H57A H 0.1580 0.8077 0.4005 0.095 Uiso 1 1 calc R . .
H57B H 0.1795 0.8321 0.4980 0.095 Uiso 1 1 calc R . .
C24 C -0.1065(3) 1.0125(3) 0.7712(3) 0.0536(10) Uani 1 1 d . . .
H24 H -0.0959 1.0792 0.7543 0.064 Uiso 1 1 calc R . .
C25 C -0.0866(3) 1.0146(4) 0.8529(3) 0.0594(12) Uani 1 1 d . . .
H25 H -0.0628 1.0824 0.8928 0.071 Uiso 1 1 calc R . .
C26 C -0.1011(3) 0.9176(4) 0.8776(2) 0.0545(11) Uani 1 1 d . . .
H26 H -0.0863 0.9189 0.9346 0.065 Uiso 1 1 calc R . .
C18 C -0.5294(3) 0.6876(3) 0.5680(2) 0.0421(8) Uani 1 1 d . . .
H18 H -0.5726 0.7329 0.5465 0.050 Uiso 1 1 calc R . .
C23 C -0.1423(3) 0.9131(3) 0.7122(2) 0.0385(8) Uani 1 1 d . . .
H23 H -0.1551 0.9127 0.6555 0.046 Uiso 1 1 calc R . .
C56 C 0.2867(3) 0.5057(3) 1.15145(18) 0.0343(7) Uani 1 1 d . . .
H56A H 0.3607 0.5640 1.1862 0.051 Uiso 1 1 calc R . .
H56B H 0.3011 0.4354 1.1424 0.051 Uiso 1 1 calc R . .
H56C H 0.2294 0.5013 1.1795 0.051 Uiso 1 1 calc R . .
C19 C -0.5882(3) 0.5801(3) 0.5623(2) 0.0425(9) Uani 1 1 d . . .
H19 H -0.6715 0.5512 0.5370 0.051 Uiso 1 1 calc R . .
C5 C 0.3161(3) 0.9919(3) 0.6826(2) 0.0399(8) Uani 1 1 d . . .
H5 H 0.3630 1.0449 0.6639 0.048 Uiso 1 1 calc R . .
C48 C 0.4729(3) 0.6756(3) 0.7772(2) 0.0342(7) Uani 1 1 d . . .
H48 H 0.4725 0.6937 0.7263 0.041 Uiso 1 1 calc R . .
C20 C -0.5258(3) 0.5150(3) 0.5933(2) 0.0380(8) Uani 1 1 d . . .
H20 H -0.5662 0.4410 0.5901 0.046 Uiso 1 1 calc R . .
C17 C -0.4069(3) 0.7306(3) 0.6052(2) 0.0341(7) Uani 1 1 d . . .
H17 H -0.3673 0.8053 0.6100 0.041 Uiso 1 1 calc R . .
C46 C 0.5704(3) 0.6998(2) 0.9226(2) 0.0312(7) Uani 1 1 d . . .
H46 H 0.6375 0.7348 0.9721 0.037 Uiso 1 1 calc R . .
C27 C -0.1374(3) 0.8186(3) 0.81909(19) 0.0374(8) Uani 1 1 d . . .
H27 H -0.1474 0.7522 0.8364 0.045 Uiso 1 1 calc R . .
C47 C 0.5702(3) 0.7262(2) 0.8488(2) 0.0333(7) Uani 1 1 d . . .
H47 H 0.6372 0.7794 0.8473 0.040 Uiso 1 1 calc R . .
C21 C -0.4038(3) 0.5563(3) 0.62940(18) 0.0299(6) Uani 1 1 d . . .
H21 H -0.3616 0.5101 0.6504 0.036 Uiso 1 1 calc R . .
C28 C -0.2143(3) 0.7128(3) 0.38076(19) 0.0391(8) Uani 1 1 d . . .
H28A H -0.1584 0.7244 0.3516 0.059 Uiso 1 1 calc R . .
H28B H -0.2415 0.7764 0.3866 0.059 Uiso 1 1 calc R . .
H28C H -0.2819 0.6467 0.3488 0.059 Uiso 1 1 calc R . .
C52 C 0.4063(3) 0.2528(3) 0.84489(19) 0.0329(7) Uani 1 1 d . . .
H52 H 0.4768 0.2432 0.8408 0.040 Uiso 1 1 calc R . .
C22 C -0.1594(2) 0.8152(2) 0.73534(18) 0.0279(6) Uani 1 1 d . . .
C4 C 0.3663(3) 0.9287(3) 0.7290(2) 0.0347(7) Uani 1 1 d . . .
H4 H 0.4476 0.9380 0.7421 0.042 Uiso 1 1 calc R . .
C10 C -0.0536(3) 0.6695(2) 0.48350(17) 0.0267(6) Uani 1 1 d . . .
H10 H -0.0221 0.6578 0.4410 0.032 Uiso 1 1 calc R . .
C6 C 0.1977(3) 0.9780(3) 0.6633(2) 0.0387(8) Uani 1 1 d . . .
H6 H 0.1640 1.0230 0.6326 0.046 Uiso 1 1 calc R . .
C15 C -0.2079(2) 0.7038(2) 0.67268(16) 0.0227(6) Uani 1 1 d . . .
H15 H -0.1871 0.6507 0.7054 0.027 Uiso 1 1 calc R . .
C45 C 0.4729(2) 0.6222(2) 0.92448(18) 0.0251(6) Uani 1 1 d . . .
H45 H 0.4738 0.6041 0.9754 0.030 Uiso 1 1 calc R . .
C42 C 0.0302(3) 0.6786(2) 0.97306(19) 0.0280(6) Uani 1 1 d . . .
H42A H -0.0116 0.6654 1.0117 0.042 Uiso 1 1 calc R . .
H42B H -0.0267 0.6539 0.9159 0.042 Uiso 1 1 calc R . .
H42C H 0.0729 0.7573 0.9857 0.042 Uiso 1 1 calc R . .
C16 C -0.3428(2) 0.6643(2) 0.63515(17) 0.0245(6) Uani 1 1 d . . .
C51 C 0.3912(3) 0.3551(2) 0.84771(18) 0.0267(6) Uani 1 1 d . . .
H51 H 0.4516 0.4148 0.8455 0.032 Uiso 1 1 calc R . .
C53 C 0.3193(3) 0.1655(2) 0.84799(19) 0.0328(7) Uani 1 1 d . . .
H53 H 0.3298 0.0959 0.8468 0.039 Uiso 1 1 calc R . .
C9 C 0.0029(2) 0.6567(2) 0.56167(17) 0.0229(6) Uani 1 1 d . . .
C11 C -0.1547(3) 0.6990(2) 0.46579(17) 0.0270(6) Uani 1 1 d . . .
C33 C 0.3681(3) 0.9909(2) 1.04643(19) 0.0355(7) Uani 1 1 d . . .
H33 H 0.4137 1.0520 1.0929 0.043 Uiso 1 1 calc R . .
C35 C 0.3354(2) 0.8083(2) 0.97101(18) 0.0269(6) Uani 1 1 d . . .
H35 H 0.3586 0.7448 0.9663 0.032 Uiso 1 1 calc R . .
C39 C 0.2387(2) 0.5311(2) 1.06868(17) 0.0236(6) Uani 1 1 d . . .
C34 C 0.4014(3) 0.8986(2) 1.0374(2) 0.0351(7) Uani 1 1 d . . .
H34 H 0.4709 0.8970 1.0775 0.042 Uiso 1 1 calc R . .
C3 C 0.2974(2) 0.8518(2) 0.75627(18) 0.0266(6) Uani 1 1 d . . .
H3 H 0.3326 0.8105 0.7902 0.032 Uiso 1 1 calc R . .
C37 C 0.1163(2) 0.6159(2) 0.98206(16) 0.0202(5) Uani 1 1 d . . .
C32 C 0.2676(3) 0.9940(2) 0.98730(18) 0.0284(6) Uani 1 1 d . . .
H32 H 0.2439 1.0572 0.9935 0.034 Uiso 1 1 calc R . .
C38 C 0.1594(2) 0.5885(2) 1.05651(17) 0.0235(6) Uani 1 1 d . . .
H38 H 0.1337 0.6097 1.1006 0.028 Uiso 1 1 calc R . .
C55 C 0.2018(2) 0.2815(2) 0.85613(18) 0.0276(6) Uani 1 1 d . . .
H55 H 0.1311 0.2906 0.8601 0.033 Uiso 1 1 calc R . .
C2 C 0.1771(2) 0.8345(2) 0.73440(16) 0.0215(5) Uani 1 1 d . . .
C54 C 0.2168(3) 0.1801(2) 0.8529(2) 0.0332(7) Uani 1 1 d . . .
H54 H 0.1560 0.1199 0.8541 0.040 Uiso 1 1 calc R . .
C12 C -0.2024(2) 0.7112(2) 0.52769(17) 0.0250(6) Uani 1 1 d . . .
H12 H -0.2724 0.7301 0.5159 0.030 Uiso 1 1 calc R . .
C36 C 0.1549(2) 0.5833(2) 0.91809(16) 0.0183(5) Uani 1 1 d . . .
C49 C 0.3749(3) 0.5977(2) 0.77947(18) 0.0262(6) Uani 1 1 d . . .
H49 H 0.3080 0.5629 0.7299 0.031 Uiso 1 1 calc R . .
C44 C 0.3737(2) 0.5702(2) 0.85294(16) 0.0199(5) Uani 1 1 d . . .
C13 C -0.1515(2) 0.6967(2) 0.60594(16) 0.0204(5) Uani 1 1 d . . .
C50 C 0.2895(2) 0.3710(2) 0.85367(16) 0.0206(5) Uani 1 1 d . . .
C40 C 0.2706(2) 0.4955(2) 1.00217(16) 0.0219(5) Uani 1 1 d . . .
H40 H 0.3224 0.4534 1.0090 0.026 Uiso 1 1 calc R . .
C43 C 0.2678(2) 0.4818(2) 0.85448(16) 0.0190(5) Uani 1 1 d . . .
H43 H 0.2012 0.4702 0.8017 0.023 Uiso 1 1 calc R . .
C7 C 0.1278(3) 0.8989(2) 0.68837(18) 0.0284(6) Uani 1 1 d . . .
H7 H 0.0462 0.8889 0.6740 0.034 Uiso 1 1 calc R . .
C31 C 0.2021(2) 0.9056(2) 0.91943(17) 0.0234(6) Uani 1 1 d . . .
H31 H 0.1345 0.9089 0.8783 0.028 Uiso 1 1 calc R . .
C29 C 0.1569(2) 0.7175(2) 0.83910(16) 0.0180(5) Uani 1 1 d . . .
C30 C 0.2347(2) 0.8105(2) 0.91084(16) 0.0193(5) Uani 1 1 d . . .
C1 C 0.1084(2) 0.7390(2) 0.75550(16) 0.0177(5) Uani 1 1 d . . .
C41 C 0.2290(2) 0.5195(2) 0.92558(16) 0.0182(5) Uani 1 1 d . . .
Pd1 Pd -0.021581(17) 0.518633(16) 0.737178(12) 0.01702(6) Uani 1 1 d . . .
N2 N 0.11693(18) 0.61565(17) 0.84163(13) 0.0166(4) Uani 1 1 d . . .
N1 N 0.01230(18) 0.66344(17) 0.70441(13) 0.0166(4) Uani 1 1 d . . .
C8 C -0.0456(2) 0.6738(2) 0.62232(16) 0.0203(5) Uani 1 1 d . . .
Cl2 Cl -0.04254(6) 0.35840(5) 0.77648(4) 0.02566(15) Uani 1 1 d . . .
Cl1 Cl -0.17810(6) 0.42610(5) 0.61862(4) 0.02718(15) Uani 1 1 d . . .
C14 C 0.1118(3) 0.6230(3) 0.57820(19) 0.0300(6) Uani 1 1 d . . .
H14A H 0.1817 0.6874 0.6098 0.045 Uiso 1 1 calc R . .
H14B H 0.1176 0.5922 0.5252 0.045 Uiso 1 1 calc R . .
H14C H 0.1070 0.5677 0.6103 0.045 Uiso 1 1 calc R . .
Cl6 Cl 0.34963(10) 0.84125(11) 0.22802(10) 0.0815(4) Uani 1 1 d . . .
Cl5 Cl 0.48366(11) 0.74988(11) 0.34910(9) 0.0834(4) Uani 1 1 d . . .
Cl3 Cl 0.07251(13) 0.93075(12) 0.43569(10) 0.0895(4) Uani 1 1 d . . .
Cl4 Cl 0.31891(13) 0.96274(13) 0.47253(10) 0.0977(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C58 Cl5 1.737(5) . ?
C58 Cl6 1.747(5) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C57 Cl3 1.730(6) . ?
C57 Cl4 1.775(5) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C24 C25 1.364(6) . ?
C24 C23 1.395(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(5) . ?
C26 H26 0.9500 . ?
C18 C19 1.376(5) . ?
C18 C17 1.397(4) . ?
C18 H18 0.9500 . ?
C23 C22 1.381(4) . ?
C23 H23 0.9500 . ?
C56 C39 1.511(4) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C19 C20 1.367(5) . ?
C19 H19 0.9500 . ?
C5 C4 1.380(5) . ?
C5 C6 1.382(5) . ?
C5 H5 0.9500 . ?
C48 C47 1.377(5) . ?
C48 C49 1.393(4) . ?
C48 H48 0.9500 . ?
C20 C21 1.388(4) . ?
C20 H20 0.9500 . ?
C17 C16 1.388(4) . ?
C17 H17 0.9500 . ?
C46 C47 1.382(5) . ?
C46 C45 1.384(4) . ?
C46 H46 0.9500 . ?
C27 C22 1.392(4) . ?
C27 H27 0.9500 . ?
C47 H47 0.9500 . ?
C21 C16 1.388(4) . ?
C21 H21 0.9500 . ?
C28 C11 1.508(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C52 C53 1.379(4) . ?
C52 C51 1.394(4) . ?
C52 H52 0.9500 . ?
C22 C15 1.523(4) . ?
C4 C3 1.386(4) . ?
C4 H4 0.9500 . ?
C10 C11 1.387(4) . ?
C10 C9 1.393(4) . ?
C10 H10 0.9500 . ?
C6 C7 1.387(4) . ?
C6 H6 0.9500 . ?
C15 C16 1.533(4) . ?
C15 C13 1.537(4) . ?
C15 H15 1.0000 . ?
C45 C44 1.390(4) . ?
C45 H45 0.9500 . ?
C42 C37 1.510(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C51 C50 1.381(4) . ?
C51 H51 0.9500 . ?
C53 C54 1.379(4) . ?
C53 H53 0.9500 . ?
C9 C8 1.388(4) . ?
C9 C14 1.509(4) . ?
C11 C12 1.391(4) . ?
C33 C34 1.379(4) . ?
C33 C32 1.387(4) . ?
C33 H33 0.9500 . ?
C35 C34 1.379(4) . ?
C35 C30 1.393(4) . ?
C35 H35 0.9500 . ?
C39 C38 1.385(4) . ?
C39 C40 1.390(4) . ?
C34 H34 0.9500 . ?
C3 C2 1.394(4) . ?
C3 H3 0.9500 . ?
C37 C38 1.388(4) . ?
C37 C36 1.395(4) . ?
C32 C31 1.380(4) . ?
C32 H32 0.9500 . ?
C38 H38 0.9500 . ?
C55 C54 1.381(4) . ?
C55 C50 1.396(4) . ?
C55 H55 0.9500 . ?
C2 C7 1.386(4) . ?
C2 C1 1.483(4) . ?
C54 H54 0.9500 . ?
C12 C13 1.387(4) . ?
C12 H12 0.9500 . ?
C36 C41 1.397(4) . ?
C36 N2 1.442(3) . ?
C49 C44 1.384(4) . ?
C49 H49 0.9500 . ?
C44 C43 1.528(4) . ?
C13 C8 1.400(4) . ?
C50 C43 1.540(4) . ?
C40 C41 1.396(4) . ?
C40 H40 0.9500 . ?
C43 C41 1.523(3) . ?
C43 H43 1.0000 . ?
C7 H7 0.9500 . ?
C31 C30 1.407(4) . ?
C31 H31 0.9500 . ?
C29 N2 1.304(3) . ?
C29 C30 1.472(4) . ?
C29 C1 1.502(4) . ?
C1 N1 1.298(3) . ?
Pd1 N1 2.033(2) . ?
Pd1 N2 2.044(2) . ?
Pd1 Cl1 2.2682(7) . ?
Pd1 Cl2 2.2738(7) . ?
N1 C8 1.442(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl5 C58 Cl6 112.8(2) . . ?
Cl5 C58 H58A 109.0 . . ?
Cl6 C58 H58A 109.0 . . ?
Cl5 C58 H58B 109.0 . . ?
Cl6 C58 H58B 109.0 . . ?
H58A C58 H58B 107.8 . . ?
Cl3 C57 Cl4 110.2(3) . . ?
Cl3 C57 H57A 109.6 . . ?
Cl4 C57 H57A 109.6 . . ?
Cl3 C57 H57B 109.6 . . ?
Cl4 C57 H57B 109.6 . . ?
H57A C57 H57B 108.1 . . ?
C25 C24 C23 120.4(4) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 119.8(4) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C27 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C19 C18 C17 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C22 C23 C24 120.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C39 C56 H56A 109.5 . . ?
C39 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C39 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C4 C5 C6 120.0(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C47 C48 C49 119.8(3) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 H48 120.1 . . ?
C19 C20 C21 120.5(3) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C47 C46 C45 119.9(3) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C26 C27 C22 120.8(4) . . ?
C26 C27 H27 119.6 . . ?
C22 C27 H27 119.6 . . ?
C48 C47 C46 120.0(3) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C16 C21 C20 120.9(3) . . ?
C16 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C11 C28 H28A 109.5 . . ?
C11 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C11 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C53 C52 C51 120.1(3) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C23 C22 C27 118.3(3) . . ?
C23 C22 C15 122.8(3) . . ?
C27 C22 C15 118.8(3) . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C11 C10 C9 122.0(3) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C5 C6 C7 120.5(3) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C22 C15 C16 111.6(2) . . ?
C22 C15 C13 114.5(2) . . ?
C16 C15 C13 112.5(2) . . ?
C22 C15 H15 105.8 . . ?
C16 C15 H15 105.8 . . ?
C13 C15 H15 105.8 . . ?
C46 C45 C44 121.0(3) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C21 C16 C17 118.4(3) . . ?
C21 C16 C15 118.4(3) . . ?
C17 C16 C15 123.2(3) . . ?
C50 C51 C52 120.9(3) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 H51 119.5 . . ?
C54 C53 C52 119.4(3) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C8 C9 C10 117.7(3) . . ?
C8 C9 C14 121.9(2) . . ?
C10 C9 C14 120.4(3) . . ?
C10 C11 C12 118.1(3) . . ?
C10 C11 C28 121.1(3) . . ?
C12 C11 C28 120.8(3) . . ?
C34 C33 C32 119.6(3) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C34 C35 C30 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C30 C35 H35 120.0 . . ?
C38 C39 C40 118.2(2) . . ?
C38 C39 C56 120.7(3) . . ?
C40 C39 C56 121.1(3) . . ?
C33 C34 C35 121.1(3) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C38 C37 C36 117.9(2) . . ?
C38 C37 C42 119.4(2) . . ?
C36 C37 C42 122.7(2) . . ?
C31 C32 C33 120.1(3) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C39 C38 C37 122.2(2) . . ?
C39 C38 H38 118.9 . . ?
C37 C38 H38 118.9 . . ?
C54 C55 C50 120.7(3) . . ?
C54 C55 H55 119.6 . . ?
C50 C55 H55 119.6 . . ?
C7 C2 C3 119.2(3) . . ?
C7 C2 C1 124.3(3) . . ?
C3 C2 C1 116.2(2) . . ?
C53 C54 C55 120.6(3) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C13 C12 C11 122.4(3) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C37 C36 C41 122.0(2) . . ?
C37 C36 N2 119.3(2) . . ?
C41 C36 N2 118.7(2) . . ?
C44 C49 C48 120.9(3) . . ?
C44 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C49 C44 C45 118.3(3) . . ?
C49 C44 C43 120.7(2) . . ?
C45 C44 C43 120.9(2) . . ?
C12 C13 C8 117.2(2) . . ?
C12 C13 C15 122.4(2) . . ?
C8 C13 C15 120.4(2) . . ?
C51 C50 C55 118.3(2) . . ?
C51 C50 C43 122.6(2) . . ?
C55 C50 C43 119.1(2) . . ?
C39 C40 C41 122.0(2) . . ?
C39 C40 H40 119.0 . . ?
C41 C40 H40 119.0 . . ?
C41 C43 C44 111.7(2) . . ?
C41 C43 C50 112.9(2) . . ?
C44 C43 C50 111.8(2) . . ?
C41 C43 H43 106.7 . . ?
C44 C43 H43 106.7 . . ?
C50 C43 H43 106.7 . . ?
C6 C7 C2 120.0(3) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
N2 C29 C30 125.9(2) . . ?
N2 C29 C1 114.7(2) . . ?
C30 C29 C1 119.2(2) . . ?
C35 C30 C31 118.8(2) . . ?
C35 C30 C29 124.0(2) . . ?
C31 C30 C29 117.2(2) . . ?
N1 C1 C2 125.4(2) . . ?
N1 C1 C29 114.7(2) . . ?
C2 C1 C29 119.6(2) . . ?
C36 C41 C40 117.5(2) . . ?
C36 C41 C43 121.6(2) . . ?
C40 C41 C43 120.9(2) . . ?
N1 Pd1 N2 79.79(8) . . ?
N1 Pd1 Cl1 95.07(6) . . ?
N2 Pd1 Cl1 174.47(6) . . ?
N1 Pd1 Cl2 175.00(6) . . ?
N2 Pd1 Cl2 97.13(6) . . ?
Cl1 Pd1 Cl2 88.14(3) . . ?
C29 N2 C36 120.8(2) . . ?
C29 N2 Pd1 114.07(17) . . ?
C36 N2 Pd1 124.19(16) . . ?
C1 N1 C8 121.0(2) . . ?
C1 N1 Pd1 114.19(17) . . ?
C8 N1 Pd1 122.93(16) . . ?
C9 C8 C13 122.4(2) . . ?
C9 C8 N1 119.0(2) . . ?
C13 C8 N1 118.5(2) . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C23 C24 C25 C26 0.5(6) . . . . ?
C24 C25 C26 C27 -0.9(6) . . . . ?
C25 C24 C23 C22 0.7(5) . . . . ?
C17 C18 C19 C20 0.0(5) . . . . ?
C18 C19 C20 C21 -0.8(5) . . . . ?
C19 C18 C17 C16 1.4(5) . . . . ?
C25 C26 C27 C22 0.1(5) . . . . ?
C49 C48 C47 C46 -0.1(4) . . . . ?
C45 C46 C47 C48 0.2(4) . . . . ?
C19 C20 C21 C16 0.3(5) . . . . ?
C24 C23 C22 C27 -1.4(5) . . . . ?
C24 C23 C22 C15 174.9(3) . . . . ?
C26 C27 C22 C23 1.0(4) . . . . ?
C26 C27 C22 C15 -175.4(3) . . . . ?
C6 C5 C4 C3 -0.2(5) . . . . ?
C4 C5 C6 C7 -1.7(5) . . . . ?
C23 C22 C15 C16 -83.2(3) . . . . ?
C27 C22 C15 C16 93.1(3) . . . . ?
C23 C22 C15 C13 46.0(4) . . . . ?
C27 C22 C15 C13 -137.8(3) . . . . ?
C47 C46 C45 C44 -0.2(4) . . . . ?
C20 C21 C16 C17 1.1(4) . . . . ?
C20 C21 C16 C15 -177.7(3) . . . . ?
C18 C17 C16 C21 -1.9(4) . . . . ?
C18 C17 C16 C15 176.8(3) . . . . ?
C22 C15 C16 C21 -134.3(3) . . . . ?
C13 C15 C16 C21 95.5(3) . . . . ?
C22 C15 C16 C17 47.0(4) . . . . ?
C13 C15 C16 C17 -83.2(3) . . . . ?
C53 C52 C51 C50 0.0(5) . . . . ?
C51 C52 C53 C54 0.8(5) . . . . ?
C11 C10 C9 C8 0.4(4) . . . . ?
C11 C10 C9 C14 179.2(3) . . . . ?
C9 C10 C11 C12 -2.8(4) . . . . ?
C9 C10 C11 C28 179.8(3) . . . . ?
C32 C33 C34 C35 -0.9(5) . . . . ?
C30 C35 C34 C33 1.3(5) . . . . ?
C5 C4 C3 C2 2.7(5) . . . . ?
C34 C33 C32 C31 -0.6(5) . . . . ?
C40 C39 C38 C37 -3.4(4) . . . . ?
C56 C39 C38 C37 178.1(3) . . . . ?
C36 C37 C38 C39 0.3(4) . . . . ?
C42 C37 C38 C39 -179.9(3) . . . . ?
C4 C3 C2 C7 -3.2(4) . . . . ?
C4 C3 C2 C1 170.8(3) . . . . ?
C52 C53 C54 C55 -1.1(5) . . . . ?
C50 C55 C54 C53 0.6(5) . . . . ?
C10 C11 C12 C13 1.1(4) . . . . ?
C28 C11 C12 C13 178.5(3) . . . . ?
C38 C37 C36 C41 3.7(4) . . . . ?
C42 C37 C36 C41 -176.0(2) . . . . ?
C38 C37 C36 N2 -176.6(2) . . . . ?
C42 C37 C36 N2 3.7(4) . . . . ?
C47 C48 C49 C44 0.0(4) . . . . ?
C48 C49 C44 C45 -0.1(4) . . . . ?
C48 C49 C44 C43 -177.8(2) . . . . ?
C46 C45 C44 C49 0.2(4) . . . . ?
C46 C45 C44 C43 177.9(2) . . . . ?
C11 C12 C13 C8 2.8(4) . . . . ?
C11 C12 C13 C15 -176.5(3) . . . . ?
C22 C15 C13 C12 -96.6(3) . . . . ?
C16 C15 C13 C12 32.1(4) . . . . ?
C22 C15 C13 C8 84.0(3) . . . . ?
C16 C15 C13 C8 -147.2(2) . . . . ?
C52 C51 C50 C55 -0.5(4) . . . . ?
C52 C51 C50 C43 -178.2(3) . . . . ?
C54 C55 C50 C51 0.2(4) . . . . ?
C54 C55 C50 C43 178.0(3) . . . . ?
C38 C39 C40 C41 2.6(4) . . . . ?
C56 C39 C40 C41 -178.9(3) . . . . ?
C49 C44 C43 C41 -132.5(3) . . . . ?
C45 C44 C43 C41 49.9(3) . . . . ?
C49 C44 C43 C50 99.9(3) . . . . ?
C45 C44 C43 C50 -77.8(3) . . . . ?
C51 C50 C43 C41 -130.2(3) . . . . ?
C55 C50 C43 C41 52.1(3) . . . . ?
C51 C50 C43 C44 -3.2(3) . . . . ?
C55 C50 C43 C44 179.1(2) . . . . ?
C5 C6 C7 C2 1.2(5) . . . . ?
C3 C2 C7 C6 1.2(4) . . . . ?
C1 C2 C7 C6 -172.2(3) . . . . ?
C33 C32 C31 C30 1.8(4) . . . . ?
C34 C35 C30 C31 -0.2(4) . . . . ?
C34 C35 C30 C29 -178.3(3) . . . . ?
C32 C31 C30 C35 -1.4(4) . . . . ?
C32 C31 C30 C29 176.9(2) . . . . ?
N2 C29 C30 C35 46.8(4) . . . . ?
C1 C29 C30 C35 -139.0(3) . . . . ?
N2 C29 C30 C31 -131.3(3) . . . . ?
C1 C29 C30 C31 42.8(3) . . . . ?
C7 C2 C1 N1 44.4(4) . . . . ?
C3 C2 C1 N1 -129.3(3) . . . . ?
C7 C2 C1 C29 -142.8(3) . . . . ?
C3 C2 C1 C29 43.6(3) . . . . ?
N2 C29 C1 N1 18.0(3) . . . . ?
C30 C29 C1 N1 -156.8(2) . . . . ?
N2 C29 C1 C2 -155.6(2) . . . . ?
C30 C29 C1 C2 29.6(3) . . . . ?
C37 C36 C41 C40 -4.5(4) . . . . ?
N2 C36 C41 C40 175.8(2) . . . . ?
C37 C36 C41 C43 178.3(2) . . . . ?
N2 C36 C41 C43 -1.4(4) . . . . ?
C39 C40 C41 C36 1.2(4) . . . . ?
C39 C40 C41 C43 178.5(2) . . . . ?
C44 C43 C41 C36 83.5(3) . . . . ?
C50 C43 C41 C36 -149.5(2) . . . . ?
C44 C43 C41 C40 -93.7(3) . . . . ?
C50 C43 C41 C40 33.3(3) . . . . ?
C30 C29 N2 C36 -4.9(4) . . . . ?
C1 C29 N2 C36 -179.3(2) . . . . ?
C30 C29 N2 Pd1 164.3(2) . . . . ?
C1 C29 N2 Pd1 -10.1(3) . . . . ?
C37 C36 N2 C29 71.2(3) . . . . ?
C41 C36 N2 C29 -109.1(3) . . . . ?
C37 C36 N2 Pd1 -96.9(2) . . . . ?
C41 C36 N2 Pd1 82.9(3) . . . . ?
N1 Pd1 N2 C29 1.43(17) . . . . ?
Cl1 Pd1 N2 C29 -20.2(7) . . . . ?
Cl2 Pd1 N2 C29 177.45(16) . . . . ?
N1 Pd1 N2 C36 170.2(2) . . . . ?
Cl1 Pd1 N2 C36 148.5(5) . . . . ?
Cl2 Pd1 N2 C36 -13.81(19) . . . . ?
C2 C1 N1 C8 -7.9(4) . . . . ?
C29 C1 N1 C8 178.9(2) . . . . ?
C2 C1 N1 Pd1 156.7(2) . . . . ?
C29 C1 N1 Pd1 -16.5(3) . . . . ?
N2 Pd1 N1 C1 8.85(17) . . . . ?
Cl1 Pd1 N1 C1 -173.20(17) . . . . ?
Cl2 Pd1 N1 C1 -43.4(8) . . . . ?
N2 Pd1 N1 C8 173.1(2) . . . . ?
Cl1 Pd1 N1 C8 -8.93(19) . . . . ?
Cl2 Pd1 N1 C8 120.9(7) . . . . ?
C10 C9 C8 C13 3.8(4) . . . . ?
C14 C9 C8 C13 -175.0(2) . . . . ?
C10 C9 C8 N1 -178.7(2) . . . . ?
C14 C9 C8 N1 2.5(4) . . . . ?
C12 C13 C8 C9 -5.4(4) . . . . ?
C15 C13 C8 C9 174.0(2) . . . . ?
C12 C13 C8 N1 177.1(2) . . . . ?
C15 C13 C8 N1 -3.5(4) . . . . ?
C1 N1 C8 C9 74.8(3) . . . . ?
Pd1 N1 C8 C9 -88.5(3) . . . . ?
C1 N1 C8 C13 -107.6(3) . . . . ?
Pd1 N1 C8 C13 89.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        27.09
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         1.338
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.083
