# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1522061'
_audit_update_record             
;
2017-04-26 deposited with the CCDC.
2017-07-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H24 N4 O2 Pd'
_chemical_formula_sum            'C37 H24 N4 O2 Pd'
_chemical_formula_weight         663.00

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'
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'
Pd Pd -0.9988 1.0072 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.875(5)
_cell_length_b                   30.125(5)
_cell_length_c                   20.458(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.168(5)
_cell_angle_gamma                90
_cell_volume                     6085(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    77224
_cell_measurement_theta_min      2.843
_cell_measurement_theta_max      24.999

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_F_000             2688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.650
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77224
_diffrn_reflns_av_unetI/netI     0.2033
_diffrn_reflns_av_R_equivalents  0.2423
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.843
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10709
_reflns_number_gt                4717
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0613P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10709
_refine_ls_number_parameters     795
_refine_ls_number_restraints     176
_refine_ls_R_factor_all          0.2203
_refine_ls_R_factor_gt           0.1018
_refine_ls_wR_factor_ref         0.2234
_refine_ls_wR_factor_gt          0.1768
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.000
_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_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 0.35260(8) 0.08935(3) 0.24960(4) 0.0563(3) Uani 1 1 d . . . . .
C86 C 0.2327(12) 0.0535(3) 0.5143(6) 0.060(3) Uani 1 1 d . U . . .
O3 O 0.5302(8) -0.0167(3) 0.3425(4) 0.086(3) Uani 1 1 d . . . . .
C65 C -0.0382(11) 0.2804(4) 0.0610(5) 0.054(3) Uani 1 1 d . U . . .
O4 O 0.4427(8) 0.1111(3) 0.0584(4) 0.078(2) Uani 1 1 d . . . . .
N5 N 0.3912(9) 0.0447(3) 0.3223(4) 0.058(2) Uani 1 1 d . . . . .
C2 C 0.0512(11) 0.2770(4) 0.1149(5) 0.066(3) Uani 1 1 d . U . . .
H2 H 0.0587 0.3010 0.1435 0.079 Uiso 1 1 calc R U . . .
C3 C -0.0504(11) 0.2443(3) 0.0179(5) 0.051(2) Uani 1 1 d . U . . .
C4 C -0.2044(12) 0.3208(4) -0.0026(6) 0.081(4) Uani 1 1 d . U . . .
H4 H -0.2552 0.3463 -0.0102 0.097 Uiso 1 1 calc R U . . .
N4 N 0.4813(8) 0.0519(3) 0.2064(4) 0.052(2) Uani 1 1 d . . . . .
C6 C 0.6335(12) -0.0077(4) 0.2095(6) 0.078(4) Uani 1 1 d . U . . .
H6 H 0.6759 -0.0309 0.2318 0.093 Uiso 1 1 calc R U . . .
C9 C 0.4251(11) 0.0453(4) 0.4422(6) 0.069(3) Uani 1 1 d . U . . .
H9 H 0.5178 0.0423 0.4365 0.083 Uiso 1 1 calc R U . . .
C010 C -0.2178(12) 0.2847(4) -0.0463(6) 0.077(3) Uani 1 1 d . U . . .
H010 H -0.2786 0.2862 -0.0816 0.092 Uiso 1 1 calc R U . . .
C058 C 0.6032(12) 0.0359(4) 0.1125(6) 0.083(4) Uani 1 1 d . U . . .
H058 H 0.6236 0.0421 0.0693 0.100 Uiso 1 1 calc R U . . .
C013 C 0.1789(12) 0.0560(4) 0.5763(6) 0.069(3) Uani 1 1 d . U . . .
H013 H 0.2369 0.0559 0.6127 0.082 Uiso 1 1 calc R U . . .
C014 C -0.2452(14) 0.0651(4) 0.5996(8) 0.090(4) Uani 1 1 d . U . . .
H014 H -0.3383 0.0673 0.6046 0.108 Uiso 1 1 calc R U . . .
C015 C 0.0274(11) 0.2064(4) 0.0291(5) 0.056(3) Uani 1 1 d . U . . .
H015 H 0.0196 0.1827 0.0002 0.068 Uiso 1 1 calc R U . . .
C016 C 0.3759(12) 0.0491(4) 0.5037(6) 0.072(3) Uani 1 1 d . U . . .
H016 H 0.4356 0.0488 0.5394 0.086 Uiso 1 1 calc R U . . .
C64 C 0.1280(10) 0.2399(3) 0.1274(5) 0.051(3) Uani 1 1 d . U . . .
C019 C 0.1156(10) 0.2030(3) 0.0820(5) 0.049(2) Uani 1 1 d . U . . .
C020 C 0.0392(13) 0.0585(4) 0.5850(6) 0.071(3) Uani 1 1 d . U . . .
C063 C 0.2248(11) 0.2351(3) 0.1813(5) 0.064(3) Uani 1 1 d . U . . .
H063 H 0.2384 0.2586 0.2102 0.077 Uiso 1 1 calc R U . . .
C060 C 0.4286(12) 0.1008(4) 0.1178(7) 0.067(3) Uani 1 1 d . U . . .
C030 C 0.1460(11) 0.0538(3) 0.4574(5) 0.060(3) Uani 1 1 d . U . . .
C56 C 0.5366(11) 0.0183(4) 0.2403(6) 0.062(3) Uani 1 1 d . U . . .
C032 C -0.1564(17) 0.0639(4) 0.6543(7) 0.097(4) Uani 1 1 d . U . . .
H032 H -0.1934 0.0651 0.6957 0.116 Uiso 1 1 calc R U . . .
C033 C -0.1413(11) 0.2479(4) -0.0364(5) 0.062(3) Uani 1 1 d . U . . .
H033 H -0.1486 0.2244 -0.0658 0.074 Uiso 1 1 calc R U . . .
C035 C 0.3365(11) 0.0460(3) 0.3873(6) 0.054(3) Uani 1 1 d . U . . .
C057 C 0.6659(13) 0.0018(4) 0.1447(7) 0.090(4) Uani 1 1 d . U . . .
H057 H 0.7303 -0.0152 0.1236 0.108 Uiso 1 1 calc R U . . .
N7 N 0.2152(9) 0.1279(3) 0.2940(4) 0.062(3) Uani 1 1 d . . . . .
N6 N 0.3582(9) 0.1214(3) 0.1630(4) 0.060(3) Uani 1 1 d . . . . .
C49 C 0.0077(11) 0.0581(3) 0.4673(6) 0.065(3) Uani 1 1 d . U . . .
H49 H -0.0495 0.0600 0.4307 0.078 Uiso 1 1 calc R U . . .
C85 C 0.4857(12) 0.0144(4) 0.3086(6) 0.064(3) Uani 1 1 d . U . . .
C059 C 0.5074(11) 0.0616(4) 0.1453(7) 0.065(3) Uani 1 1 d . U . . .
C52 C 0.2030(11) 0.0501(3) 0.3938(5) 0.060(3) Uani 1 1 d . U . . .
H52 H 0.1466 0.0505 0.3568 0.072 Uiso 1 1 calc R U . . .
C54 C -0.1916(13) 0.0629(4) 0.5397(7) 0.082(4) Uani 1 1 d . U . . .
H54 H -0.2506 0.0637 0.5037 0.099 Uiso 1 1 calc R U . . .
C59 C -0.1192(12) 0.3191(4) 0.0502(6) 0.073(3) Uani 1 1 d . U . . .
H59 H -0.1136 0.3429 0.0791 0.088 Uiso 1 1 calc R U . . .
C60 C 0.1959(10) 0.1645(3) 0.0937(5) 0.049(3) Uani 1 1 d . U . . .
H60 H 0.1892 0.1410 0.0644 0.059 Uiso 1 1 calc R U . . .
C061 C -0.0495(13) 0.0596(4) 0.5280(6) 0.070(3) Uani 1 1 d . U . . .
C63 C 0.1342(12) 0.1453(4) 0.3190(6) 0.068(4) Uani 1 1 d . U . . .
C62 C 0.2959(12) 0.1967(4) 0.1904(5) 0.071(3) Uani 1 1 d . U . . .
H62 H 0.3545 0.1941 0.2264 0.085 Uiso 1 1 calc R U . . .
C61 C 0.2827(10) 0.1609(3) 0.1465(5) 0.052(3) Uani 1 1 d . U . . .
C134 C 0.0270(12) 0.1709(5) 0.3543(6) 0.111(5) Uani 1 1 d . U . . .
H13A H 0.0503 0.1724 0.4000 0.167 Uiso 1 1 calc R U . . .
H13B H -0.0587 0.1562 0.3486 0.167 Uiso 1 1 calc R U . . .
H13C H 0.0210 0.2004 0.3368 0.167 Uiso 1 1 calc R U . . .
Pd2 Pd 0.88212(9) 0.10566(3) 0.08836(4) 0.0588(3) Uani 1 1 d . . . . .
O1 O 0.9347(8) 0.0693(3) 0.2798(4) 0.081(3) Uani 1 1 d . . . . .
C028 C 0.5390(10) 0.1538(4) 0.3541(5) 0.060(3) Uani 1 1 d . U . . .
H028 H 0.5354 0.1249 0.3698 0.072 Uiso 1 1 calc R U . . .
C29 C 0.4590(10) 0.1868(4) 0.3820(5) 0.057(3) Uani 1 1 d . U . . .
C35 C 0.6334(11) 0.2087(4) 0.2794(5) 0.057(3) Uani 1 1 d . U . . .
C04 C 1.1784(13) 0.0102(4) 0.0845(7) 0.083(4) Uani 1 1 d . U . . .
H04 H 1.2316 -0.0023 0.0524 0.099 Uiso 1 1 calc R U . . .
C7 C 1.0486(13) 0.0577(4) -0.0011(7) 0.073(3) Uani 1 1 d . U . . .
C1 C 0.9354(11) 0.0768(4) 0.2212(7) 0.063(3) Uani 1 1 d . U . . .
C33 C 0.4668(11) 0.2319(4) 0.3579(5) 0.062(3) Uani 1 1 d . U . . .
N1 N 0.8661(8) 0.1090(3) 0.1881(4) 0.055(2) Uani 1 1 d . . . . .
N2 N 1.0121(9) 0.0616(3) 0.1150(5) 0.062(3) Uani 1 1 d . . . . .
C32 C 0.3754(13) 0.2642(4) 0.3866(6) 0.085(4) Uani 1 1 d . U . . .
H32 H 0.3733 0.2931 0.3705 0.102 Uiso 1 1 calc R U . . .
O2 O 1.1083(8) 0.0423(3) -0.0488(4) 0.094(3) Uani 1 1 d . . . . .
C26 C 0.7035(10) 0.1314(4) 0.2702(5) 0.054(3) Uani 1 1 d . U . . .
H26 H 0.6969 0.1021 0.2843 0.065 Uiso 1 1 calc R U . . .
C018 C 0.3722(11) 0.1777(4) 0.4356(5) 0.079(4) Uani 1 1 d . U . . .
H018 H 0.3692 0.1492 0.4529 0.095 Uiso 1 1 calc R U . . .
C25 C 0.7861(10) 0.1406(4) 0.2210(5) 0.056(3) Uani 1 1 d . U . . .
C34 C 0.5525(11) 0.2405(4) 0.3080(5) 0.068(3) Uani 1 1 d . U . . .
H34 H 0.5569 0.2695 0.2923 0.082 Uiso 1 1 calc R U . . .
N3 N 0.9471(9) 0.0879(3) -0.0026(5) 0.063(3) Uani 1 1 d . . . . .
C200 C 1.0229(11) 0.0503(4) 0.1774(6) 0.061(3) Uani 1 1 d . U . . .
C10 C 0.9389(16) 0.1371(5) -0.1689(7) 0.099(4) Uani 1 1 d . U . . .
H10 H 0.9994 0.1490 -0.1984 0.119 Uiso 1 1 calc R U . . .
C28 C 0.5600(13) 0.2125(5) 0.0480(7) 0.129(6) Uani 1 1 d . U . . .
H28A H 0.5344 0.2232 0.0902 0.193 Uiso 1 1 calc R U . . .
H28B H 0.4820 0.2003 0.0256 0.193 Uiso 1 1 calc R U . . .
H28C H 0.5955 0.2367 0.0229 0.193 Uiso 1 1 calc R U . . .
C27 C 0.6252(10) 0.1644(4) 0.3020(5) 0.052(3) Uani 1 1 d . U . . .
C11 C 0.7961(17) 0.1361(4) -0.1873(7) 0.091(4) Uani 1 1 d . U . . .
C37 C 0.8027(11) 0.1860(4) 0.2021(5) 0.067(3) Uani 1 1 d . U . . .
H37 H 0.8657 0.1935 0.1708 0.081 Uiso 1 1 calc R U . . .
C8 C 0.8962(14) 0.1050(4) -0.0642(6) 0.072(3) Uani 1 1 d . U . . .
C36 C 0.7266(12) 0.2180(4) 0.2300(5) 0.066(3) Uani 1 1 d . U . . .
H36 H 0.7363 0.2472 0.2160 0.080 Uiso 1 1 calc R U . . .
C06 C 1.0813(12) 0.0426(4) 0.0670(7) 0.070(3) Uani 1 1 d . U . . .
N04 N 0.7419(10) 0.1523(3) 0.0650(4) 0.062(3) Uani 1 1 d . . . . .
C12 C 0.7068(15) 0.1211(4) -0.1387(6) 0.074(3) Uani 1 1 d . U . . .
C300 C 1.1141(12) 0.0171(4) 0.1960(7) 0.079(4) Uani 1 1 d . U . . .
H300 H 1.1220 0.0082 0.2394 0.095 Uiso 1 1 calc R U . . .
C09 C 0.9888(14) 0.1217(5) -0.1109(6) 0.095(4) Uani 1 1 d . U . . .
H09 H 1.0815 0.1220 -0.1018 0.114 Uiso 1 1 calc R U . . .
C15 C 0.5704(16) 0.1197(4) -0.1552(7) 0.098(4) Uani 1 1 d . U . . .
H15 H 0.5099 0.1098 -0.1242 0.117 Uiso 1 1 calc R U . . .
C55 C 0.7622(14) 0.1058(4) -0.0776(6) 0.072(3) Uani 1 1 d . U . . .
H55 H 0.7032 0.0961 -0.0458 0.087 Uiso 1 1 calc R U . . .
C14 C 0.520(2) 0.1324(5) -0.2166(8) 0.111(4) Uani 1 1 d . U . . .
C5 C 1.1952(12) -0.0029(4) 0.1470(7) 0.086(4) Uani 1 1 d . U . . .
H5 H 1.2586 -0.0246 0.1581 0.104 Uiso 1 1 calc R U . . .
C58 C 0.6638(13) 0.1780(4) 0.0559(6) 0.068(4) Uani 1 1 d . U . . .
C30 C 0.2929(13) 0.2105(5) 0.4619(6) 0.093(4) Uani 1 1 d . U . . .
H30 H 0.2381 0.2044 0.4971 0.112 Uiso 1 1 calc R U . . .
C18 C 0.423(3) 0.1555(9) -0.3419(12) 0.189(10) Uani 1 1 d . U . . .
H18 H 0.3894 0.1643 -0.3828 0.227 Uiso 1 1 calc R U . . .
C13 C 0.7490(19) 0.1495(5) -0.2479(7) 0.115(4) Uani 1 1 d . U . . .
H13 H 0.8101 0.1611 -0.2775 0.138 Uiso 1 1 calc R U . . .
C19 C 0.378(2) 0.1292(5) -0.2347(9) 0.143(6) Uani 1 1 d . U . . .
H19 H 0.3155 0.1194 -0.2045 0.171 Uiso 1 1 calc R U . . .
C16 C 0.612(2) 0.1464(5) -0.2666(8) 0.119(5) Uani 1 1 d . U . . .
C31 C 0.2956(14) 0.2532(5) 0.4351(7) 0.104(5) Uani 1 1 d . U . . .
H31 H 0.2389 0.2748 0.4522 0.124 Uiso 1 1 calc R U . . .
C17 C 0.560(2) 0.1583(5) -0.3297(8) 0.141(6) Uani 1 1 d . U . . .
H17 H 0.6187 0.1677 -0.3620 0.170 Uiso 1 1 calc R U . . .
C20 C 0.335(2) 0.1410(7) -0.2984(11) 0.157(7) Uani 1 1 d . U . . .
H20 H 0.2436 0.1386 -0.3101 0.188 Uiso 1 1 calc R U . . .
C101 C -0.0195(14) 0.0611(4) 0.6497(6) 0.087(4) Uani 1 1 d . U . . .
H101 H 0.0356 0.0607 0.6871 0.104 Uiso 1 1 calc R U . . .


_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 N4 1.928(8) . ?
Pd1 N7 2.016(9) . ?
Pd1 N6 2.019(8) . ?
Pd1 N5 2.035(8) . ?
C86 C013 1.388(13) . ?
C86 C030 1.431(14) . ?
C86 C016 1.440(14) . ?
O3 C85 1.241(12) . ?
C65 C2 1.402(13) . ?
C65 C3 1.403(14) . ?
C65 C59 1.430(14) . ?
O4 C060 1.264(12) . ?
N5 C85 1.339(13) . ?
N5 C035 1.446(12) . ?
C2 C64 1.371(13) . ?
C2 H2 0.9300 . ?
C3 C015 1.393(13) . ?
C3 C033 1.418(13) . ?
C4 C59 1.357(14) . ?
C4 C010 1.412(15) . ?
C4 H4 0.9300 . ?
N4 C059 1.313(13) . ?
N4 C56 1.338(12) . ?
C6 C56 1.396(13) . ?
C6 C057 1.400(15) . ?
C6 H6 0.9300 . ?
C9 C016 1.361(13) . ?
C9 C035 1.410(14) . ?
C9 H9 0.9300 . ?
C010 C033 1.356(14) . ?
C010 H010 0.9300 . ?
C058 C057 1.364(15) . ?
C058 C059 1.404(14) . ?
C058 H058 0.9300 . ?
C013 C020 1.397(15) . ?
C013 H013 0.9300 . ?
C014 C54 1.345(15) . ?
C014 C032 1.409(17) . ?
C014 H014 0.9300 . ?
C015 C019 1.379(13) . ?
C015 H015 0.9300 . ?
C016 H016 0.9300 . ?
C64 C019 1.451(13) . ?
C64 C063 1.453(13) . ?
C019 C60 1.422(13) . ?
C020 C061 1.445(15) . ?
C020 C101 1.458(15) . ?
C063 C62 1.364(14) . ?
C063 H063 0.9300 . ?
C060 N6 1.325(13) . ?
C060 C059 1.515(15) . ?
C030 C49 1.391(14) . ?
C030 C52 1.432(13) . ?
C56 C85 1.499(14) . ?
C032 C101 1.360(17) . ?
C032 H032 0.9300 . ?
C033 H033 0.9300 . ?
C035 C52 1.334(13) . ?
C057 H057 0.9300 . ?
N7 C63 1.093(12) . ?
N6 C61 1.441(12) . ?
C49 C061 1.375(14) . ?
C49 H49 0.9300 . ?
C52 H52 0.9300 . ?
C54 C061 1.432(15) . ?
C54 H54 0.9300 . ?
C59 H59 0.9300 . ?
C60 C61 1.370(13) . ?
C60 H60 0.9300 . ?
C63 C134 1.505(15) . ?
C62 C61 1.407(14) . ?
C62 H62 0.9300 . ?
C134 H13A 0.9600 . ?
C134 H13B 0.9600 . ?
C134 H13C 0.9600 . ?
Pd2 N2 1.918(9) . ?
Pd2 N04 2.022(10) . ?
Pd2 N3 2.051(9) . ?
Pd2 N1 2.052(8) . ?
O1 C1 1.220(12) . ?
C028 C29 1.399(13) . ?
C028 C27 1.413(13) . ?
C028 H028 0.9300 . ?
C29 C018 1.432(13) . ?
C29 C33 1.446(14) . ?
C35 C34 1.385(13) . ?
C35 C36 1.408(13) . ?
C35 C27 1.418(14) . ?
C04 C5 1.344(15) . ?
C04 C06 1.409(16) . ?
C04 H04 0.9300 . ?
C7 O2 1.240(12) . ?
C7 N3 1.352(14) . ?
C7 C06 1.496(16) . ?
C1 N1 1.358(13) . ?
C1 C200 1.491(15) . ?
C33 C34 1.365(13) . ?
C33 C32 1.459(14) . ?
N1 C25 1.417(12) . ?
N2 C200 1.323(12) . ?
N2 C06 1.337(13) . ?
C32 C31 1.322(15) . ?
C32 H32 0.9300 . ?
C26 C25 1.340(12) . ?
C26 C27 1.424(13) . ?
C26 H26 0.9300 . ?
C018 C30 1.377(15) . ?
C018 H018 0.9300 . ?
C25 C37 1.430(14) . ?
C34 H34 0.9300 . ?
N3 C8 1.443(14) . ?
C200 C300 1.392(15) . ?
C10 C09 1.358(17) . ?
C10 C11 1.452(19) . ?
C10 H10 0.9300 . ?
C28 C58 1.467(16) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C11 C13 1.377(18) . ?
C11 C12 1.416(16) . ?
C37 C36 1.355(13) . ?
C37 H37 0.9300 . ?
C8 C55 1.346(16) . ?
C8 C09 1.428(15) . ?
C36 H36 0.9300 . ?
N04 C58 1.107(13) . ?
C12 C15 1.382(17) . ?
C12 C55 1.431(16) . ?
C300 C5 1.431(15) . ?
C300 H300 0.9300 . ?
C09 H09 0.9300 . ?
C15 C14 1.395(18) . ?
C15 H15 0.9300 . ?
C55 H55 0.9300 . ?
C14 C16 1.44(2) . ?
C14 C19 1.45(2) . ?
C5 H5 0.9300 . ?
C30 C31 1.398(17) . ?
C30 H30 0.9300 . ?
C18 C20 1.33(3) . ?
C18 C17 1.38(3) . ?
C18 H18 0.9300 . ?
C13 C16 1.41(2) . ?
C13 H13 0.9300 . ?
C19 C20 1.41(2) . ?
C19 H19 0.9300 . ?
C16 C17 1.42(2) . ?
C31 H31 0.9300 . ?
C17 H17 0.9300 . ?
C20 H20 0.9300 . ?
C101 H101 0.9300 . ?

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
N4 Pd1 N7 179.0(4) . . ?
N4 Pd1 N6 81.2(4) . . ?
N7 Pd1 N6 98.6(4) . . ?
N4 Pd1 N5 80.4(4) . . ?
N7 Pd1 N5 99.8(4) . . ?
N6 Pd1 N5 161.6(4) . . ?
C013 C86 C030 120.6(11) . . ?
C013 C86 C016 122.5(11) . . ?
C030 C86 C016 116.8(11) . . ?
C2 C65 C3 118.9(10) . . ?
C2 C65 C59 121.4(11) . . ?
C3 C65 C59 119.6(11) . . ?
C85 N5 C035 119.1(9) . . ?
C85 N5 Pd1 114.7(7) . . ?
C035 N5 Pd1 125.9(7) . . ?
C64 C2 C65 122.8(10) . . ?
C64 C2 H2 118.6 . . ?
C65 C2 H2 118.6 . . ?
C015 C3 C65 119.4(10) . . ?
C015 C3 C033 122.0(10) . . ?
C65 C3 C033 118.6(10) . . ?
C59 C4 C010 121.7(12) . . ?
C59 C4 H4 119.2 . . ?
C010 C4 H4 119.2 . . ?
C059 N4 C56 125.2(10) . . ?
C059 N4 Pd1 116.7(8) . . ?
C56 N4 Pd1 118.1(8) . . ?
C56 C6 C057 119.0(11) . . ?
C56 C6 H6 120.5 . . ?
C057 C6 H6 120.5 . . ?
C016 C9 C035 120.5(11) . . ?
C016 C9 H9 119.8 . . ?
C035 C9 H9 119.8 . . ?
C033 C010 C4 119.3(12) . . ?
C033 C010 H010 120.3 . . ?
C4 C010 H010 120.3 . . ?
C057 C058 C059 119.2(12) . . ?
C057 C058 H058 120.4 . . ?
C059 C058 H058 120.4 . . ?
C86 C013 C020 121.1(12) . . ?
C86 C013 H013 119.4 . . ?
C020 C013 H013 119.4 . . ?
C54 C014 C032 118.2(14) . . ?
C54 C014 H014 120.9 . . ?
C032 C014 H014 120.9 . . ?
C019 C015 C3 121.8(10) . . ?
C019 C015 H015 119.1 . . ?
C3 C015 H015 119.1 . . ?
C9 C016 C86 121.1(11) . . ?
C9 C016 H016 119.5 . . ?
C86 C016 H016 119.5 . . ?
C2 C64 C019 117.8(10) . . ?
C2 C64 C063 125.2(10) . . ?
C019 C64 C063 117.0(10) . . ?
C015 C019 C60 122.2(10) . . ?
C015 C019 C64 119.3(10) . . ?
C60 C019 C64 118.6(10) . . ?
C013 C020 C061 118.8(11) . . ?
C013 C020 C101 122.1(13) . . ?
C061 C020 C101 119.1(12) . . ?
C62 C063 C64 121.2(10) . . ?
C62 C063 H063 119.4 . . ?
C64 C063 H063 119.4 . . ?
O4 C060 N6 128.7(11) . . ?
O4 C060 C059 118.9(12) . . ?
N6 C060 C059 112.3(11) . . ?
C49 C030 C86 117.1(11) . . ?
C49 C030 C52 123.0(11) . . ?
C86 C030 C52 119.9(10) . . ?
N4 C56 C6 117.9(11) . . ?
N4 C56 C85 113.7(10) . . ?
C6 C56 C85 128.5(11) . . ?
C101 C032 C014 123.4(14) . . ?
C101 C032 H032 118.3 . . ?
C014 C032 H032 118.3 . . ?
C010 C033 C3 121.4(11) . . ?
C010 C033 H033 119.3 . . ?
C3 C033 H033 119.3 . . ?
C52 C035 C9 121.4(11) . . ?
C52 C035 N5 118.8(10) . . ?
C9 C035 N5 119.7(10) . . ?
C058 C057 C6 120.1(12) . . ?
C058 C057 H057 120.0 . . ?
C6 C057 H057 120.0 . . ?
C63 N7 Pd1 173.4(11) . . ?
C060 N6 C61 120.0(9) . . ?
C060 N6 Pd1 114.3(8) . . ?
C61 N6 Pd1 125.3(7) . . ?
C061 C49 C030 123.9(12) . . ?
C061 C49 H49 118.1 . . ?
C030 C49 H49 118.1 . . ?
O3 C85 N5 129.6(11) . . ?
O3 C85 C56 117.3(11) . . ?
N5 C85 C56 113.0(10) . . ?
N4 C059 C058 118.6(11) . . ?
N4 C059 C060 114.7(11) . . ?
C058 C059 C060 126.7(13) . . ?
C035 C52 C030 120.3(10) . . ?
C035 C52 H52 119.8 . . ?
C030 C52 H52 119.8 . . ?
C014 C54 C061 124.1(14) . . ?
C014 C54 H54 118.0 . . ?
C061 C54 H54 118.0 . . ?
C4 C59 C65 119.2(12) . . ?
C4 C59 H59 120.4 . . ?
C65 C59 H59 120.4 . . ?
C61 C60 C019 122.3(10) . . ?
C61 C60 H60 118.8 . . ?
C019 C60 H60 118.8 . . ?
C49 C061 C54 125.1(13) . . ?
C49 C061 C020 118.3(11) . . ?
C54 C061 C020 116.5(12) . . ?
N7 C63 C134 177.5(14) . . ?
C063 C62 C61 121.4(11) . . ?
C063 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C60 C61 C62 119.5(10) . . ?
C60 C61 N6 124.3(10) . . ?
C62 C61 N6 116.1(10) . . ?
C63 C134 H13A 109.5 . . ?
C63 C134 H13B 109.5 . . ?
H13A C134 H13B 109.5 . . ?
C63 C134 H13C 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
N2 Pd2 N04 177.1(4) . . ?
N2 Pd2 N3 81.8(4) . . ?
N04 Pd2 N3 101.1(4) . . ?
N2 Pd2 N1 79.4(4) . . ?
N04 Pd2 N1 97.7(4) . . ?
N3 Pd2 N1 161.1(4) . . ?
C29 C028 C27 120.2(11) . . ?
C29 C028 H028 119.9 . . ?
C27 C028 H028 119.9 . . ?
C028 C29 C018 121.9(11) . . ?
C028 C29 C33 119.5(10) . . ?
C018 C29 C33 118.5(11) . . ?
C34 C35 C36 123.9(11) . . ?
C34 C35 C27 118.5(10) . . ?
C36 C35 C27 117.6(10) . . ?
C5 C04 C06 121.0(13) . . ?
C5 C04 H04 119.5 . . ?
C06 C04 H04 119.5 . . ?
O2 C7 N3 126.8(13) . . ?
O2 C7 C06 121.4(13) . . ?
N3 C7 C06 111.8(11) . . ?
O1 C1 N1 127.6(11) . . ?
O1 C1 C200 120.3(12) . . ?
N1 C1 C200 112.0(11) . . ?
C34 C33 C29 118.2(10) . . ?
C34 C33 C32 124.8(12) . . ?
C29 C33 C32 116.8(10) . . ?
C1 N1 C25 121.5(9) . . ?
C1 N1 Pd2 114.4(8) . . ?
C25 N1 Pd2 124.0(7) . . ?
C200 N2 C06 124.4(11) . . ?
C200 N2 Pd2 119.6(8) . . ?
C06 N2 Pd2 115.9(9) . . ?
C31 C32 C33 121.2(13) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C25 C26 C27 122.8(11) . . ?
C25 C26 H26 118.6 . . ?
C27 C26 H26 118.6 . . ?
C30 C018 C29 121.0(13) . . ?
C30 C018 H018 119.5 . . ?
C29 C018 H018 119.5 . . ?
C26 C25 N1 124.8(11) . . ?
C26 C25 C37 118.5(10) . . ?
N1 C25 C37 116.6(9) . . ?
C33 C34 C35 123.8(11) . . ?
C33 C34 H34 118.1 . . ?
C35 C34 H34 118.1 . . ?
C7 N3 C8 120.3(10) . . ?
C7 N3 Pd2 113.6(9) . . ?
C8 N3 Pd2 126.1(7) . . ?
N2 C200 C300 119.2(11) . . ?
N2 C200 C1 113.9(11) . . ?
C300 C200 C1 126.9(12) . . ?
C09 C10 C11 123.5(13) . . ?
C09 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C58 C28 H28A 109.5 . . ?
C58 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C58 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C028 C27 C35 119.8(10) . . ?
C028 C27 C26 121.9(10) . . ?
C35 C27 C26 118.3(9) . . ?
C13 C11 C12 121.5(16) . . ?
C13 C11 C10 122.4(15) . . ?
C12 C11 C10 116.1(14) . . ?
C36 C37 C25 119.9(10) . . ?
C36 C37 H37 120.0 . . ?
C25 C37 H37 120.0 . . ?
C55 C8 C09 119.8(13) . . ?
C55 C8 N3 120.6(11) . . ?
C09 C8 N3 119.6(13) . . ?
C37 C36 C35 122.5(11) . . ?
C37 C36 H36 118.7 . . ?
C35 C36 H36 118.7 . . ?
N2 C06 C04 117.8(13) . . ?
N2 C06 C7 116.7(12) . . ?
C04 C06 C7 125.5(12) . . ?
C58 N04 Pd2 176.1(11) . . ?
C15 C12 C11 117.1(14) . . ?
C15 C12 C55 123.9(13) . . ?
C11 C12 C55 118.9(14) . . ?
C200 C300 C5 118.6(13) . . ?
C200 C300 H300 120.7 . . ?
C5 C300 H300 120.7 . . ?
C10 C09 C8 118.6(14) . . ?
C10 C09 H09 120.7 . . ?
C8 C09 H09 120.7 . . ?
C12 C15 C14 122.7(16) . . ?
C12 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C8 C55 C12 122.8(12) . . ?
C8 C55 H55 118.6 . . ?
C12 C55 H55 118.6 . . ?
C15 C14 C16 120.1(18) . . ?
C15 C14 C19 122.6(19) . . ?
C16 C14 C19 117.2(17) . . ?
C04 C5 C300 118.8(13) . . ?
C04 C5 H5 120.6 . . ?
C300 C5 H5 120.6 . . ?
N04 C58 C28 176.6(15) . . ?
C018 C30 C31 119.5(12) . . ?
C018 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C20 C18 C17 123(3) . . ?
C20 C18 H18 118.3 . . ?
C17 C18 H18 118.3 . . ?
C11 C13 C16 122.2(17) . . ?
C11 C13 H13 118.9 . . ?
C16 C13 H13 118.9 . . ?
C20 C19 C14 120(2) . . ?
C20 C19 H19 120.2 . . ?
C14 C19 H19 120.2 . . ?
C13 C16 C17 124(2) . . ?
C13 C16 C14 116.2(17) . . ?
C17 C16 C14 120(2) . . ?
C32 C31 C30 122.7(14) . . ?
C32 C31 H31 118.7 . . ?
C30 C31 H31 118.7 . . ?
C18 C17 C16 119(2) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C18 C20 C19 121(3) . . ?
C18 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C032 C101 C020 118.7(14) . . ?
C032 C101 H101 120.7 . . ?
C020 C101 H101 120.7 . . ?

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
C3 C65 C2 C64 0.2(16) . . . . ?
C59 C65 C2 C64 178.6(10) . . . . ?
C2 C65 C3 C015 -0.7(15) . . . . ?
C59 C65 C3 C015 -179.1(9) . . . . ?
C2 C65 C3 C033 179.8(9) . . . . ?
C59 C65 C3 C033 1.4(15) . . . . ?
C59 C4 C010 C033 -1.8(19) . . . . ?
C030 C86 C013 C020 0.4(16) . . . . ?
C016 C86 C013 C020 -177.6(10) . . . . ?
C65 C3 C015 C019 0.6(15) . . . . ?
C033 C3 C015 C019 -179.9(9) . . . . ?
C035 C9 C016 C86 0.5(17) . . . . ?
C013 C86 C016 C9 177.9(11) . . . . ?
C030 C86 C016 C9 -0.1(16) . . . . ?
C65 C2 C64 C019 0.4(16) . . . . ?
C65 C2 C64 C063 178.2(10) . . . . ?
C3 C015 C019 C60 -179.6(9) . . . . ?
C3 C015 C019 C64 0.1(15) . . . . ?
C2 C64 C019 C015 -0.6(14) . . . . ?
C063 C64 C019 C015 -178.5(9) . . . . ?
C2 C64 C019 C60 179.1(9) . . . . ?
C063 C64 C019 C60 1.2(13) . . . . ?
C86 C013 C020 C061 -1.3(17) . . . . ?
C86 C013 C020 C101 179.9(10) . . . . ?
C2 C64 C063 C62 179.3(11) . . . . ?
C019 C64 C063 C62 -2.9(15) . . . . ?
C013 C86 C030 C49 2.0(15) . . . . ?
C016 C86 C030 C49 -179.9(10) . . . . ?
C013 C86 C030 C52 -178.4(10) . . . . ?
C016 C86 C030 C52 -0.3(15) . . . . ?
C059 N4 C56 C6 2.6(17) . . . . ?
Pd1 N4 C56 C6 -177.6(8) . . . . ?
C059 N4 C56 C85 -178.6(10) . . . . ?
Pd1 N4 C56 C85 1.1(13) . . . . ?
C057 C6 C56 N4 -1.6(18) . . . . ?
C057 C6 C56 C85 179.9(12) . . . . ?
C54 C014 C032 C101 1(2) . . . . ?
C4 C010 C033 C3 1.6(17) . . . . ?
C015 C3 C033 C010 179.1(10) . . . . ?
C65 C3 C033 C010 -1.5(15) . . . . ?
C016 C9 C035 C52 -0.4(17) . . . . ?
C016 C9 C035 N5 176.3(10) . . . . ?
C85 N5 C035 C52 -135.1(11) . . . . ?
Pd1 N5 C035 C52 51.6(13) . . . . ?
C85 N5 C035 C9 48.1(14) . . . . ?
Pd1 N5 C035 C9 -125.2(9) . . . . ?
C059 C058 C057 C6 1(2) . . . . ?
C56 C6 C057 C058 0(2) . . . . ?
O4 C060 N6 C61 1.1(19) . . . . ?
C059 C060 N6 C61 176.7(9) . . . . ?
O4 C060 N6 Pd1 174.9(10) . . . . ?
C059 C060 N6 Pd1 -9.5(12) . . . . ?
C86 C030 C49 C061 -3.6(17) . . . . ?
C52 C030 C49 C061 176.8(10) . . . . ?
C035 N5 C85 O3 6.1(19) . . . . ?
Pd1 N5 C85 O3 -179.9(11) . . . . ?
C035 N5 C85 C56 -177.7(9) . . . . ?
Pd1 N5 C85 C56 -3.6(12) . . . . ?
N4 C56 C85 O3 178.5(10) . . . . ?
C6 C56 C85 O3 -2.9(19) . . . . ?
N4 C56 C85 N5 1.8(15) . . . . ?
C6 C56 C85 N5 -179.6(11) . . . . ?
C56 N4 C059 C058 -1.9(17) . . . . ?
Pd1 N4 C059 C058 178.4(8) . . . . ?
C56 N4 C059 C060 178.5(10) . . . . ?
Pd1 N4 C059 C060 -1.2(12) . . . . ?
C057 C058 C059 N4 0.1(18) . . . . ?
C057 C058 C059 C060 179.6(12) . . . . ?
O4 C060 C059 N4 -176.7(10) . . . . ?
N6 C060 C059 N4 7.2(15) . . . . ?
O4 C060 C059 C058 3.8(18) . . . . ?
N6 C060 C059 C058 -172.3(11) . . . . ?
C9 C035 C52 C030 0.0(16) . . . . ?
N5 C035 C52 C030 -176.7(9) . . . . ?
C49 C030 C52 C035 180.0(10) . . . . ?
C86 C030 C52 C035 0.4(16) . . . . ?
C032 C014 C54 C061 0(2) . . . . ?
C010 C4 C59 C65 1.7(18) . . . . ?
C2 C65 C59 C4 -179.9(11) . . . . ?
C3 C65 C59 C4 -1.5(16) . . . . ?
C015 C019 C60 C61 -179.4(9) . . . . ?
C64 C019 C60 C61 0.9(14) . . . . ?
C030 C49 C061 C54 -178.4(11) . . . . ?
C030 C49 C061 C020 2.7(17) . . . . ?
C014 C54 C061 C49 -178.9(12) . . . . ?
C014 C54 C061 C020 0.0(18) . . . . ?
C013 C020 C061 C49 -0.1(16) . . . . ?
C101 C020 C061 C49 178.7(10) . . . . ?
C013 C020 C061 C54 -179.1(10) . . . . ?
C101 C020 C061 C54 -0.3(16) . . . . ?
C64 C063 C62 C61 2.6(17) . . . . ?
C019 C60 C61 C62 -1.4(15) . . . . ?
C019 C60 C61 N6 175.1(9) . . . . ?
C063 C62 C61 C60 -0.4(16) . . . . ?
C063 C62 C61 N6 -177.2(10) . . . . ?
C060 N6 C61 C60 49.2(15) . . . . ?
Pd1 N6 C61 C60 -123.9(9) . . . . ?
C060 N6 C61 C62 -134.3(11) . . . . ?
Pd1 N6 C61 C62 52.7(12) . . . . ?
C27 C028 C29 C018 -178.9(10) . . . . ?
C27 C028 C29 C33 -1.0(15) . . . . ?
C028 C29 C33 C34 0.3(15) . . . . ?
C018 C29 C33 C34 178.2(10) . . . . ?
C028 C29 C33 C32 176.7(10) . . . . ?
C018 C29 C33 C32 -5.3(15) . . . . ?
O1 C1 N1 C25 3.7(18) . . . . ?
C200 C1 N1 C25 -174.3(9) . . . . ?
O1 C1 N1 Pd2 -174.1(10) . . . . ?
C200 C1 N1 Pd2 8.0(11) . . . . ?
C34 C33 C32 C31 -179.7(13) . . . . ?
C29 C33 C32 C31 4.1(18) . . . . ?
C028 C29 C018 C30 -179.2(11) . . . . ?
C33 C29 C018 C30 2.9(17) . . . . ?
C27 C26 C25 N1 179.8(9) . . . . ?
C27 C26 C25 C37 3.9(16) . . . . ?
C1 N1 C25 C26 -42.7(16) . . . . ?
Pd2 N1 C25 C26 134.7(9) . . . . ?
C1 N1 C25 C37 133.2(11) . . . . ?
Pd2 N1 C25 C37 -49.3(12) . . . . ?
C29 C33 C34 C35 -0.5(17) . . . . ?
C32 C33 C34 C35 -176.7(11) . . . . ?
C36 C35 C34 C33 -176.9(11) . . . . ?
C27 C35 C34 C33 1.4(17) . . . . ?
O2 C7 N3 C8 0.9(18) . . . . ?
C06 C7 N3 C8 -177.0(10) . . . . ?
O2 C7 N3 Pd2 -178.2(10) . . . . ?
C06 C7 N3 Pd2 4.0(12) . . . . ?
C06 N2 C200 C300 1.7(17) . . . . ?
Pd2 N2 C200 C300 177.7(8) . . . . ?
C06 N2 C200 C1 179.6(10) . . . . ?
Pd2 N2 C200 C1 -4.4(13) . . . . ?
O1 C1 C200 N2 179.1(11) . . . . ?
N1 C1 C200 N2 -2.7(14) . . . . ?
O1 C1 C200 C300 -3.2(18) . . . . ?
N1 C1 C200 C300 175.0(11) . . . . ?
C29 C028 C27 C35 1.9(15) . . . . ?
C29 C028 C27 C26 -177.1(9) . . . . ?
C34 C35 C27 C028 -2.0(15) . . . . ?
C36 C35 C27 C028 176.4(10) . . . . ?
C34 C35 C27 C26 176.9(10) . . . . ?
C36 C35 C27 C26 -4.7(15) . . . . ?
C25 C26 C27 C028 -179.8(10) . . . . ?
C25 C26 C27 C35 1.3(15) . . . . ?
C09 C10 C11 C13 -176.0(13) . . . . ?
C09 C10 C11 C12 5(2) . . . . ?
C26 C25 C37 C36 -5.8(16) . . . . ?
N1 C25 C37 C36 178.0(10) . . . . ?
C7 N3 C8 C55 130.8(12) . . . . ?
Pd2 N3 C8 C55 -50.3(14) . . . . ?
C7 N3 C8 C09 -50.1(15) . . . . ?
Pd2 N3 C8 C09 128.8(10) . . . . ?
C25 C37 C36 C35 2.4(17) . . . . ?
C34 C35 C36 C37 -178.8(11) . . . . ?
C27 C35 C36 C37 2.9(16) . . . . ?
C200 N2 C06 C04 -4.1(17) . . . . ?
Pd2 N2 C06 C04 179.7(8) . . . . ?
C200 N2 C06 C7 175.9(10) . . . . ?
Pd2 N2 C06 C7 -0.2(13) . . . . ?
C5 C04 C06 N2 3.7(18) . . . . ?
C5 C04 C06 C7 -176.4(12) . . . . ?
O2 C7 C06 N2 179.4(10) . . . . ?
N3 C7 C06 N2 -2.6(15) . . . . ?
O2 C7 C06 C04 -0.5(19) . . . . ?
N3 C7 C06 C04 177.5(11) . . . . ?
C13 C11 C12 C15 1.1(19) . . . . ?
C10 C11 C12 C15 -179.8(12) . . . . ?
C13 C11 C12 C55 177.5(12) . . . . ?
C10 C11 C12 C55 -3.4(18) . . . . ?
N2 C200 C300 C5 1.3(17) . . . . ?
C1 C200 C300 C5 -176.3(10) . . . . ?
C11 C10 C09 C8 -2(2) . . . . ?
C55 C8 C09 C10 -1.6(19) . . . . ?
N3 C8 C09 C10 179.3(12) . . . . ?
C11 C12 C15 C14 -0.2(19) . . . . ?
C55 C12 C15 C14 -176.3(12) . . . . ?
C09 C8 C55 C12 3.0(18) . . . . ?
N3 C8 C55 C12 -177.9(10) . . . . ?
C15 C12 C55 C8 175.7(12) . . . . ?
C11 C12 C55 C8 -0.3(18) . . . . ?
C12 C15 C14 C16 2(2) . . . . ?
C12 C15 C14 C19 177.4(13) . . . . ?
C06 C04 C5 C300 -0.9(19) . . . . ?
C200 C300 C5 C04 -1.6(18) . . . . ?
C29 C018 C30 C31 1(2) . . . . ?
C12 C11 C13 C16 -4(2) . . . . ?
C10 C11 C13 C16 176.7(14) . . . . ?
C15 C14 C19 C20 -177.5(15) . . . . ?
C16 C14 C19 C20 -2(2) . . . . ?
C11 C13 C16 C17 -177.4(13) . . . . ?
C11 C13 C16 C14 6(2) . . . . ?
C15 C14 C16 C13 -5(2) . . . . ?
C19 C14 C16 C13 179.6(14) . . . . ?
C15 C14 C16 C17 178.4(13) . . . . ?
C19 C14 C16 C17 3(2) . . . . ?
C33 C32 C31 C30 0(2) . . . . ?
C018 C30 C31 C32 -3(2) . . . . ?
C20 C18 C17 C16 -2(4) . . . . ?
C13 C16 C17 C18 -177.4(19) . . . . ?
C14 C16 C17 C18 -1(3) . . . . ?
C17 C18 C20 C19 3(4) . . . . ?
C14 C19 C20 C18 -1(3) . . . . ?
C014 C032 C101 C020 -1(2) . . . . ?
C013 C020 C101 C032 179.5(12) . . . . ?
C061 C020 C101 C032 0.7(17) . . . . ?

_refine_diff_density_max         1.399
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.092

# start Validation Reply Form 
_vrf_RINTA01_shelx               
;
PROBLEM: The value of Rint is greater than 0.18
Rint given 0.242
RESPONSE: This Alert is due to the poor quality of crystal data  
;
_vrf_PLAT020_shelx               
;
PROBLEM: The value of Rint is greater than 0.12 ......... 0.242 Report
RESPONSE: This Alert is due to the poor quality of crystal data  
;
# end Validation Reply Form 

