#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/84/4108481.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4108481
loop_
_publ_author_name
'Paulson Mathew'
'Antonia Neels'
'Martin Albrecht'
_publ_section_title
;
 1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late
 Transition Metals
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13534
_journal_page_last               13535
_journal_paper_doi               10.1021/ja805781s
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C32.5 H31 Cl I4 N6 Pd2'
_chemical_formula_weight         1261.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.256(13)
_cell_angle_beta                 110.476(12)
_cell_angle_gamma                96.599(13)
_cell_formula_units_Z            2
_cell_length_a                   11.1392(12)
_cell_length_b                   12.4523(14)
_cell_length_c                   15.7097(16)
_cell_measurement_reflns_used    7000
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      2.15
_cell_volume                     2016.8(4)
_computing_cell_refinement       'CELL (Stoe IPDS Software, 2000)'
_computing_data_collection       'EXPOSE (Stoe IPDS Software, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe IPDS Software, 2000)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1007
_diffrn_reflns_av_sigmaI/netI    0.1285
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16076
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.049
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULscanABS, (PLATON03, Speck, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             1178
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.272
_refine_diff_density_min         -2.680
_refine_diff_density_rms         0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         7376
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0778
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1322P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1989
_refine_ls_wR_factor_ref         0.2153
_reflns_number_gt                4091
_reflns_number_total             7376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja805781s_si_002_1.cif
_cod_data_source_block           compound-3b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C32.50 H31 Cl I4 N6 Pd2'
_cod_database_code               4108481
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.6123(12) 0.1421(10) 0.3425(10) 0.045(3) Uani 1 1 d .
C2 C 0.5470(13) 0.1926(10) 0.2671(9) 0.043(3) Uani 1 1 d .
C3 C 0.4134(17) 0.1691(15) 0.2046(13) 0.077(2) Uani 1 1 d .
C4 C 0.3158(17) 0.1487(14) 0.2378(13) 0.077(2) Uani 1 1 d .
H4A H 0.3381 0.1482 0.3013 0.092 Uiso 1 1 calc R
C5 C 0.1870(17) 0.1290(14) 0.1836(12) 0.077(2) Uani 1 1 d .
H5A H 0.1233 0.1156 0.2097 0.092 Uiso 1 1 calc R
C6 C 0.1518(18) 0.1293(15) 0.0889(12) 0.077(2) Uani 1 1 d .
H6A H 0.0641 0.1183 0.0506 0.092 Uiso 1 1 calc R
C7 C 0.2480(17) 0.1460(14) 0.0525(13) 0.077(2) Uani 1 1 d .
H7A H 0.2243 0.1444 -0.0112 0.092 Uiso 1 1 calc R
C8 C 0.3815(17) 0.1656(14) 0.1081(12) 0.077(2) Uani 1 1 d .
H8A H 0.4460 0.1758 0.0824 0.092 Uiso 1 1 calc R
C9 C 0.6154(19) 0.3619(13) 0.1940(13) 0.077(5) Uani 1 1 d .
H9A H 0.6501 0.4329 0.2282 0.116 Uiso 1 1 calc R
H9B H 0.5242 0.3600 0.1585 0.116 Uiso 1 1 calc R
H9C H 0.6615 0.3482 0.1533 0.116 Uiso 1 1 calc R
C10 C 0.8450(13) 0.1852(13) 0.4555(11) 0.058(4) Uani 1 1 d .
H10A H 0.8793 0.2543 0.4943 0.070 Uiso 1 1 calc R
H10B H 0.8165 0.1325 0.4910 0.070 Uiso 1 1 calc R
C11 C 0.9487(16) 0.1459(16) 0.4290(13) 0.079(2) Uani 1 1 d .
C12 C 0.9351(16) 0.0421(16) 0.3927(13) 0.079(2) Uani 1 1 d .
H12A H 0.8573 -0.0042 0.3818 0.094 Uiso 1 1 calc R
C13 C 1.0392(15) 0.0001(16) 0.3699(13) 0.079(2) Uani 1 1 d .
H13A H 1.0284 -0.0690 0.3386 0.094 Uiso 1 1 calc R
C14 C 1.1516(16) 0.0688(16) 0.3977(13) 0.079(2) Uani 1 1 d .
H14A H 1.2235 0.0418 0.3908 0.094 Uiso 1 1 calc R
C15 C 1.1699(16) 0.1711(16) 0.4339(13) 0.079(2) Uani 1 1 d .
H15A H 1.2496 0.2162 0.4488 0.094 Uiso 1 1 calc R
C16 C 1.0687(15) 0.2063(16) 0.4479(13) 0.079(2) Uani 1 1 d .
H16A H 1.0803 0.2788 0.4729 0.094 Uiso 1 1 calc R
C17 C 0.2763(12) 0.6040(10) 0.0861(9) 0.045(3) Uani 1 1 d .
C18 C 0.2413(13) 0.7084(12) 0.0723(10) 0.054(4) Uani 1 1 d .
C19 C 0.2321(18) 0.7699(16) -0.0058(12) 0.078(2) Uani 1 1 d .
C20 C 0.1446(18) 0.7289(16) -0.0890(12) 0.078(2) Uani 1 1 d .
H20A H 0.0925 0.6617 -0.0956 0.094 Uiso 1 1 calc R
C21 C 0.1319(18) 0.7849(16) -0.1636(13) 0.078(2) Uani 1 1 d .
H21A H 0.0656 0.7586 -0.2195 0.094 Uiso 1 1 calc R
C22 C 0.2148(18) 0.8802(16) -0.1587(12) 0.078(2) Uani 1 1 d .
H22A H 0.2075 0.9168 -0.2106 0.094 Uiso 1 1 calc R
C23 C 0.3097(18) 0.9191(16) -0.0728(12) 0.078(2) Uani 1 1 d .
H23A H 0.3672 0.9829 -0.0670 0.094 Uiso 1 1 calc R
C24 C 0.3192(18) 0.8647(16) 0.0029(12) 0.078(2) Uani 1 1 d .
H24A H 0.3834 0.8908 0.0599 0.094 Uiso 1 1 calc R
C25 C 0.1751(17) 0.8481(13) 0.1668(13) 0.074(5) Uani 1 1 d .
H25A H 0.0817 0.8428 0.1392 0.111 Uiso 1 1 calc R
H25B H 0.2154 0.9053 0.1420 0.111 Uiso 1 1 calc R
H25C H 0.2017 0.8648 0.2324 0.111 Uiso 1 1 calc R
C26 C 0.2801(17) 0.4898(13) 0.2166(13) 0.072(5) Uani 1 1 d .
H26A H 0.2751 0.4281 0.1733 0.087 Uiso 1 1 calc R
H26B H 0.2101 0.4740 0.2403 0.087 Uiso 1 1 calc R
C27 C 0.408(2) 0.5041(15) 0.2939(14) 0.089(3) Uani 1 1 d .
C28 C 0.504(2) 0.5901(15) 0.3082(14) 0.089(3) Uani 1 1 d .
H28A H 0.4903 0.6453 0.2689 0.107 Uiso 1 1 calc R
C29 C 0.622(2) 0.5963(15) 0.3808(14) 0.089(3) Uani 1 1 d .
H29A H 0.6880 0.6549 0.3894 0.107 Uiso 1 1 calc R
C30 C 0.642(2) 0.5172(15) 0.4392(14) 0.089(3) Uani 1 1 d .
H30A H 0.7201 0.5259 0.4900 0.107 Uiso 1 1 calc R
C31 C 0.560(2) 0.4315(15) 0.4279(14) 0.089(3) Uani 1 1 d .
H31A H 0.5812 0.3758 0.4661 0.107 Uiso 1 1 calc R
C32 C 0.432(2) 0.4206(15) 0.3560(14) 0.089(3) Uani 1 1 d .
H32A H 0.3683 0.3616 0.3501 0.107 Uiso 1 1 calc R
C33 C 0.063(5) 0.424(2) 0.715(2) 0.128(3) Uani 0.50 1 d PD
H33A H 0.0255 0.4206 0.7630 0.153 Uiso 0.50 1 calc PR
H33B H 0.1482 0.4692 0.7420 0.153 Uiso 0.50 1 calc PR
Cl1 Cl 0.0877(14) 0.2967(12) 0.6887(9) 0.128(3) Uani 0.50 1 d PD
Cl2 Cl -0.0304(14) 0.4854(12) 0.6310(9) 0.128(3) Uani 0.50 1 d PD
I1 I 0.45188(10) -0.14560(7) 0.46544(7) 0.0561(3) Uani 1 1 d .
I2 I 0.56451(10) -0.10530(8) 0.26261(7) 0.0578(3) Uani 1 1 d .
I3 I 0.56672(8) 0.62433(7) 0.07892(6) 0.0476(3) Uani 1 1 d .
I4 I 0.11031(9) 0.39474(9) -0.04670(9) 0.0777(4) Uani 1 1 d .
N1 N 0.7321(10) 0.2010(10) 0.3740(8) 0.050(3) Uani 1 1 d .
N2 N 0.7484(11) 0.2826(10) 0.3284(9) 0.058(3) Uani 1 1 d .
N3 N 0.6317(12) 0.2761(10) 0.2593(9) 0.056(3) Uani 1 1 d .
N4 N 0.2636(11) 0.5907(9) 0.1687(8) 0.054(3) Uani 1 1 d .
N5 N 0.2241(11) 0.6745(11) 0.2046(9) 0.059(3) Uani 1 1 d .
N6 N 0.2157(10) 0.7427(9) 0.1466(8) 0.048(3) Uani 1 1 d .
Pd1 Pd 0.54904(9) 0.01836(8) 0.39547(7) 0.0429(3) Uani 1 1 d .
Pd2 Pd 0.33901(9) 0.50528(8) 0.01580(7) 0.0431(3) Uani 1 1 d .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 C1 C2 103.0(12) . .
N1 C1 Pd1 127.4(11) . .
C2 C1 Pd1 129.6(10) . .
N3 C2 C1 107.5(12) . .
N3 C2 C3 122.5(14) . .
C1 C2 C3 130.1(14) . .
C4 C3 C8 118.9(16) . .
C4 C3 C2 119.9(17) . .
C8 C3 C2 121.2(17) . .
C3 C4 C5 123.6(19) . .
C3 C4 H4A 118.2 . .
C5 C4 H4A 118.2 . .
C4 C5 C6 119.0(19) . .
C4 C5 H5A 120.5 . .
C6 C5 H5A 120.5 . .
C7 C6 C5 119.0(17) . .
C7 C6 H6A 120.5 . .
C5 C6 H6A 120.5 . .
C6 C7 C8 122.3(19) . .
C6 C7 H7A 118.9 . .
C8 C7 H7A 118.9 . .
C7 C8 C3 117.1(19) . .
C7 C8 H8A 121.4 . .
C3 C8 H8A 121.4 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 N1 111.6(13) . .
C11 C10 H10A 109.3 . .
N1 C10 H10A 109.3 . .
C11 C10 H10B 109.3 . .
N1 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
C12 C11 C16 115.4(17) . .
C12 C11 C10 120.7(16) . .
C16 C11 C10 123.6(17) . .
C11 C12 C13 121.5(17) . .
C11 C12 H12A 119.2 . .
C13 C12 H12A 119.2 . .
C14 C13 C12 114.5(18) . .
C14 C13 H13A 122.8 . .
C12 C13 H13A 122.8 . .
C15 C14 C13 125.9(18) . .
C15 C14 H14A 117.1 . .
C13 C14 H14A 117.1 . .
C14 C15 C16 116.3(18) . .
C14 C15 H15A 121.8 . .
C16 C15 H15A 121.8 . .
C15 C16 C11 126.0(19) . .
C15 C16 H16A 117.0 . .
C11 C16 H16A 117.0 . .
N4 C17 C18 100.7(11) . .
N4 C17 Pd2 127.5(10) . .
C18 C17 Pd2 131.7(12) . .
N6 C18 C17 106.3(14) . .
N6 C18 C19 125.5(14) . .
C17 C18 C19 128.3(14) . .
C20 C19 C24 120.1(19) . .
C20 C19 C18 118.6(18) . .
C24 C19 C18 121.1(16) . .
C19 C20 C21 120(2) . .
C19 C20 H20A 119.9 . .
C21 C20 H20A 119.9 . .
C20 C21 C22 121.9(18) . .
C20 C21 H21A 119.1 . .
C22 C21 H21A 119.1 . .
C21 C22 C23 117.3(19) . .
C21 C22 H22A 121.4 . .
C23 C22 H22A 121.4 . .
C24 C23 C22 120.8(19) . .
C24 C23 H23A 119.6 . .
C22 C23 H23A 119.6 . .
C23 C24 C19 119.5(17) . .
C23 C24 H24A 120.2 . .
C19 C24 H24A 120.2 . .
N6 C25 H25A 109.5 . .
N6 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N6 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N4 C26 C27 110.3(14) . .
N4 C26 H26A 109.6 . .
C27 C26 H26A 109.6 . .
N4 C26 H26B 109.6 . .
C27 C26 H26B 109.6 . .
H26A C26 H26B 108.1 . .
C28 C27 C32 118.3(19) . .
C28 C27 C26 124.0(18) . .
C32 C27 C26 117.7(17) . .
C27 C28 C29 121(2) . .
C27 C28 H28A 119.7 . .
C29 C28 H28A 119.7 . .
C30 C29 C28 120(2) . .
C30 C29 H29A 119.9 . .
C28 C29 H29A 119.9 . .
C31 C30 C29 123(2) . .
C31 C30 H30A 118.5 . .
C29 C30 H30A 118.5 . .
C30 C31 C32 120(2) . .
C30 C31 H31A 119.9 . .
C32 C31 H31A 119.9 . .
C27 C32 C31 117.6(18) . .
C27 C32 H32A 121.2 . .
C31 C32 H32A 121.2 . .
Cl2 C33 Cl1 117.2(18) . .
Cl2 C33 H33A 108.0 . .
Cl1 C33 H33A 108.0 . .
Cl2 C33 H33B 108.0 . .
Cl1 C33 H33B 108.0 . .
H33A C33 H33B 107.3 . .
Pd1 I1 Pd1 92.93(4) 2_656 .
Pd2 I3 Pd2 92.13(4) . 2_665
N2 N1 C1 115.6(11) . .
N2 N1 C10 116.8(11) . .
C1 N1 C10 127.6(13) . .
N1 N2 N3 103.5(10) . .
N2 N3 C2 110.4(12) . .
N2 N3 C9 117.5(12) . .
C2 N3 C9 131.9(14) . .
N5 N4 C17 115.2(12) . .
N5 N4 C26 119.0(13) . .
C17 N4 C26 125.7(12) . .
N6 N5 N4 102.6(11) . .
N5 N6 C18 115.1(12) . .
N5 N6 C25 116.6(13) . .
C18 N6 C25 128.3(14) . .
C1 Pd1 I2 87.1(4) . .
C1 Pd1 I1 91.9(4) . 2_656
I2 Pd1 I1 176.67(5) . 2_656
C1 Pd1 I1 177.1(4) . .
I2 Pd1 I1 94.07(4) . .
I1 Pd1 I1 87.07(4) 2_656 .
C17 Pd2 I4 88.3(3) . .
C17 Pd2 I3 89.9(3) . .
I4 Pd2 I3 177.75(5) . .
C17 Pd2 I3 177.7(4) . 2_665
I4 Pd2 I3 93.92(4) . 2_665
I3 Pd2 I3 87.87(4) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.354(16) .
C1 C2 1.383(19) .
C1 Pd1 1.968(13) .
C2 N3 1.363(17) .
C2 C3 1.45(2) .
C3 C4 1.37(3) .
C3 C8 1.43(2) .
C4 C5 1.37(2) .
C4 H4A 0.9400 .
C5 C6 1.40(2) .
C5 H5A 0.9400 .
C6 C7 1.38(2) .
C6 H6A 0.9400 .
C7 C8 1.42(2) .
C7 H7A 0.9400 .
C8 H8A 0.9400 .
C9 N3 1.505(19) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 C11 1.48(2) .
C10 N1 1.489(18) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C11 C12 1.35(2) .
C11 C16 1.38(2) .
C12 C13 1.47(2) .
C12 H12A 0.9400 .
C13 C14 1.35(2) .
C13 H13A 0.9400 .
C14 C15 1.33(2) .
C14 H14A 0.9400 .
C15 C16 1.34(2) .
C15 H15A 0.9400 .
C16 H16A 0.9400 .
C17 N4 1.370(18) .
C17 C18 1.41(2) .
C17 Pd2 1.950(13) .
C18 N6 1.352(18) .
C18 C19 1.46(2) .
C19 C20 1.36(2) .
C19 C24 1.41(3) .
C20 C21 1.37(3) .
C20 H20A 0.9400 .
C21 C22 1.40(3) .
C21 H21A 0.9400 .
C22 C23 1.41(2) .
C22 H22A 0.9400 .
C23 C24 1.38(3) .
C23 H23A 0.9400 .
C24 H24A 0.9400 .
C25 N6 1.489(17) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C26 N4 1.50(2) .
C26 C27 1.50(3) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C27 C28 1.37(3) .
C27 C32 1.45(3) .
C28 C29 1.40(3) .
C28 H28A 0.9400 .
C29 C30 1.37(3) .
C29 H29A 0.9400 .
C30 C31 1.29(2) .
C30 H30A 0.9400 .
C31 C32 1.46(3) .
C31 H31A 0.9400 .
C32 H32A 0.9400 .
C33 Cl2 1.665(19) .
C33 Cl1 1.688(19) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
I1 Pd1 2.6290(14) 2_656
I1 Pd1 2.6696(14) .
I2 Pd1 2.5893(14) .
I3 Pd2 2.6123(13) .
I3 Pd2 2.6706(13) 2_665
I4 Pd2 2.5766(14) .
N1 N2 1.309(16) .
N2 N3 1.361(17) .
N4 N5 1.347(16) .
N5 N6 1.268(16) .
Pd1 I1 2.6290(14) 2_656
Pd2 I3 2.6706(13) 2_665
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_4
N1 C1 C2 N3 0.3(14) . .
Pd1 C1 C2 N3 178.5(9) . .
N1 C1 C2 C3 -178.7(15) . .
Pd1 C1 C2 C3 -1(2) . .
N3 C2 C3 C4 -134.2(18) . .
C1 C2 C3 C4 45(2) . .
N3 C2 C3 C8 46(2) . .
C1 C2 C3 C8 -134.6(18) . .
C8 C3 C4 C5 -3(3) . .
C2 C3 C4 C5 178.0(16) . .
C3 C4 C5 C6 0(3) . .
C4 C5 C6 C7 2(3) . .
C5 C6 C7 C8 -2(3) . .
C6 C7 C8 C3 -1(3) . .
C4 C3 C8 C7 3(3) . .
C2 C3 C8 C7 -177.7(15) . .
N1 C10 C11 C12 -74(2) . .
N1 C10 C11 C16 113.6(19) . .
C16 C11 C12 C13 -4(3) . .
C10 C11 C12 C13 -177.2(16) . .
C11 C12 C13 C14 7(3) . .
C12 C13 C14 C15 -7(3) . .
C13 C14 C15 C16 4(3) . .
C14 C15 C16 C11 1(3) . .
C12 C11 C16 C15 0(3) . .
C10 C11 C16 C15 172.9(18) . .
N4 C17 C18 N6 1.1(14) . .
Pd2 C17 C18 N6 -174.8(9) . .
N4 C17 C18 C19 -178.4(15) . .
Pd2 C17 C18 C19 6(2) . .
N6 C18 C19 C20 -116.9(18) . .
C17 C18 C19 C20 63(2) . .
N6 C18 C19 C24 69(2) . .
C17 C18 C19 C24 -111.9(19) . .
C24 C19 C20 C21 -6(3) . .
C18 C19 C20 C21 179.0(16) . .
C19 C20 C21 C22 6(3) . .
C20 C21 C22 C23 -2(3) . .
C21 C22 C23 C24 0(3) . .
C22 C23 C24 C19 -1(3) . .
C20 C19 C24 C23 4(3) . .
C18 C19 C24 C23 178.4(15) . .
N4 C26 C27 C28 -10(3) . .
N4 C26 C27 C32 171.2(16) . .
C32 C27 C28 C29 0(3) . .
C26 C27 C28 C29 -178.5(19) . .
C27 C28 C29 C30 -1(3) . .
C28 C29 C30 C31 4(3) . .
C29 C30 C31 C32 -7(3) . .
C28 C27 C32 C31 -2(3) . .
C26 C27 C32 C31 176.6(19) . .
C30 C31 C32 C27 5(3) . .
C2 C1 N1 N2 1.0(15) . .
Pd1 C1 N1 N2 -177.2(9) . .
C2 C1 N1 C10 179.2(13) . .
Pd1 C1 N1 C10 1(2) . .
C11 C10 N1 N2 -70.8(17) . .
C11 C10 N1 C1 111.0(16) . .
C1 N1 N2 N3 -1.8(15) . .
C10 N1 N2 N3 179.8(11) . .
N1 N2 N3 C2 2.0(15) . .
N1 N2 N3 C9 178.2(12) . .
C1 C2 N3 N2 -1.5(15) . .
C3 C2 N3 N2 177.7(13) . .
C1 C2 N3 C9 -177.0(14) . .
C3 C2 N3 C9 2(2) . .
C18 C17 N4 N5 0.5(15) . .
Pd2 C17 N4 N5 176.7(9) . .
C18 C17 N4 C26 175.8(13) . .
Pd2 C17 N4 C26 -8.1(19) . .
C27 C26 N4 N5 -81.4(18) . .
C27 C26 N4 C17 103.6(18) . .
C17 N4 N5 N6 -2.0(14) . .
C26 N4 N5 N6 -177.6(11) . .
N4 N5 N6 C18 2.8(14) . .
N4 N5 N6 C25 -179.2(12) . .
C17 C18 N6 N5 -2.6(16) . .
C19 C18 N6 N5 176.9(14) . .
C17 C18 N6 C25 179.6(13) . .
C19 C18 N6 C25 -1(2) . .
N1 C1 Pd1 I2 -105.5(11) . .
C2 C1 Pd1 I2 76.7(12) . .
N1 C1 Pd1 I1 71.3(11) . 2_656
C2 C1 Pd1 I1 -106.4(12) . 2_656
N1 C1 Pd1 I1 140(7) . .
C2 C1 Pd1 I1 -38(8) . .
Pd1 I1 Pd1 C1 -69(8) 2_656 .
Pd1 I1 Pd1 I2 176.86(5) 2_656 .
Pd1 I1 Pd1 I1 0.0 2_656 2_656
N4 C17 Pd2 I4 82.2(11) . .
C18 C17 Pd2 I4 -102.9(12) . .
N4 C17 Pd2 I3 -99.2(11) . .
C18 C17 Pd2 I3 75.7(12) . .
N4 C17 Pd2 I3 -110(11) . 2_665
C18 C17 Pd2 I3 65(11) . 2_665
Pd2 I3 Pd2 C17 -179.6(4) 2_665 .
Pd2 I3 Pd2 I4 -142.8(15) 2_665 .
Pd2 I3 Pd2 I3 0.0 2_665 2_665
