#------------------------------------------------------------------------------
#$Date: 2021-05-03 11:10:53 +0300 (Mon, 03 May 2021) $
#$Revision: 264764 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/51/4105117.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_4105117
loop_
_publ_author_name
'Alessandro Zanardi'
'José A. Mata'
'Eduardo Peris'
_publ_contact_author_address
;Universitat Jaume I
Avda. Vicent Sos Baynat s/n
12071 Castellón (Spain)
;
_publ_contact_author_email       jmata@qio.uji.es
_publ_contact_author_fax         964728214
_publ_contact_author_name        'Jose A. Mata'
_publ_contact_author_phone       964729166
_publ_section_title
;
 Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as
 Catalysts for Multiple Tandem Reactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14531
_journal_page_last               14537
_journal_paper_doi               10.1021/ja906028g
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C20H29Cl4IrN4Pd, 2.5(C H Cl3)'
_chemical_formula_sum            'C23 H32 Cl12.5 Ir N4 Pd'
_chemical_formula_weight         1106.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 126.6400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.9630(8)
_cell_length_b                   13.9348(4)
_cell_length_c                   23.0014(7)
_cell_measurement_temperature    273(2)
_cell_volume                     7448.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_method       'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8493
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    4.972
_exptl_absorpt_correction_T_max  0.6632
_exptl_absorpt_correction_T_min  0.5642
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Reddish
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4268
_exptl_crystal_recrystallization_method 'Evaporation of a chloroform solution'
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.026
_refine_diff_density_min         -1.357
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         8493
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0988P)²+4.0421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1442
_reflns_number_gt                6724
_reflns_number_total             8493
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja906028g_si_003.cif
_cod_data_source_block           str1040m
_cod_depositor_comments
;

2021-05-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C46 H64 Cl25 Ir2 N8 Pd2'
_cod_original_formula_weight         2212.50
_cod_original_formula_moiety         '2(C20H29Cl4IrN4Pd),C2 H2 Cl5,4(C H Cl3)'
_cod_original_formula_units_Z            4
_cod_database_code               4105117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ir1 Ir 0.142740(10) 0.380105(15) 0.094423(12) 0.03658(10) Uani 1 1 d . . .
Cl1 Cl 0.18726(8) 0.32037(13) 0.21613(9) 0.0566(4) Uani 1 1 d . . .
N1 N 0.0632(2) 0.2154(3) 0.0009(3) 0.0428(11) Uani 1 1 d . . .
C1 C 0.1160(2) 0.2463(4) 0.0543(3) 0.0377(12) Uani 1 1 d . . .
Cl2 Cl 0.06031(8) 0.40775(14) 0.09358(10) 0.0551(4) Uani 1 1 d . . .
Pd2 Pd 0.14829(2) -0.03851(3) 0.03090(3) 0.04783(15) Uani 1 1 d . . .
C2 C 0.1187(3) 0.0892(5) 0.0303(4) 0.0465(15) Uani 1 1 d . . .
N2 N 0.0656(3) 0.1175(3) -0.0125(3) 0.0492(14) Uani 1 1 d . . .
Cl3 Cl 0.17112(13) 0.02633(16) -0.04103(16) 0.0851(7) Uani 1 1 d . . .
N3 N 0.1501(2) 0.1657(3) 0.0720(3) 0.0419(11) Uani 1 1 d . . .
C3 C 0.0095(3) 0.2676(5) -0.0455(4) 0.061(2) Uani 1 1 d . . .
H3A H 0.0153 0.3335 -0.0303 0.092 Uiso 1 1 calc R . .
H3B H -0.0191 0.2395 -0.0421 0.092 Uiso 1 1 calc R . .
H3C H -0.0033 0.2645 -0.0947 0.092 Uiso 1 1 calc R . .
Cl4 Cl 0.12580(11) -0.09829(15) 0.10393(15) 0.0726(6) Uani 1 1 d . . .
N4 N 0.1786(3) -0.1717(4) 0.0280(3) 0.0494(13) Uani 1 1 d . . .
C4 C 0.0137(4) 0.0645(6) -0.0672(5) 0.077(3) Uani 1 1 d . . .
H4A H 0.0208 -0.0031 -0.0582 0.116 Uiso 1 1 calc R . .
H4B H 0.0035 0.0789 -0.1144 0.116 Uiso 1 1 calc R . .
H4C H -0.0172 0.0828 -0.0652 0.116 Uiso 1 1 calc R . .
C5 C 0.2123(3) 0.1603(5) 0.1270(4) 0.0594(19) Uani 1 1 d . . .
H5A H 0.2234 0.0945 0.1406 0.089 Uiso 1 1 calc R . .
H5B H 0.2229 0.1966 0.1688 0.089 Uiso 1 1 calc R . .
H5C H 0.2314 0.1861 0.1078 0.089 Uiso 1 1 calc R . .
Cl5 Cl 0.09425(12) -0.09618(19) -0.33516(18) 0.0927(8) Uani 1 1 d . . .
C6 C 0.1439(3) 0.5355(5) 0.0686(4) 0.0515(16) Uani 1 1 d . . .
Cl6 Cl 0.0877(3) -0.1772(6) -0.2279(3) 0.230(3) Uani 1 1 d . . .
C7 C 0.1297(3) 0.4708(5) 0.0095(4) 0.0474(15) Uani 1 1 d . . .
Cl7 Cl -0.00617(14) -0.1987(3) -0.3792(3) 0.1575(19) Uani 1 1 d . . .
C8 C 0.1782(3) 0.4106(5) 0.0364(4) 0.0511(16) Uani 1 1 d . . .
Cl8 Cl 0.3849(3) 0.1289(3) 0.2581(3) 0.197(3) Uani 1 1 d . . .
C9 C 0.2206(3) 0.4300(5) 0.1114(4) 0.0522(16) Uani 1 1 d . . .
Cl9 Cl 0.31753(11) -0.01003(18) 0.15011(13) 0.0822(6) Uani 1 1 d . . .
C10 C 0.1988(3) 0.5084(5) 0.1312(4) 0.0532(16) Uani 1 1 d . . .
Cl10 Cl 0.43700(17) -0.0398(6) 0.2419(2) 0.241(4) Uani 1 1 d . . .
C11 C 0.1066(4) 0.6116(5) 0.0635(6) 0.073(3) Uani 1 1 d . . .
H11A H 0.1282 0.6511 0.1060 0.110 Uiso 1 1 calc R . .
H11B H 0.0747 0.5834 0.0596 0.110 Uiso 1 1 calc R . .
H11C H 0.0926 0.6502 0.0214 0.110 Uiso 1 1 calc R . .
C12 C 0.0762(4) 0.4800(6) -0.0680(4) 0.071(2) Uani 1 1 d . . .
H12A H 0.0798 0.5349 -0.0902 0.107 Uiso 1 1 calc R . .
H12B H 0.0431 0.4876 -0.0682 0.107 Uiso 1 1 calc R . .
H12C H 0.0718 0.4232 -0.0945 0.107 Uiso 1 1 calc R . .
C13 C 0.1831(5) 0.3440(7) -0.0102(6) 0.085(3) Uani 1 1 d . . .
H13A H 0.2041 0.3748 -0.0252 0.127 Uiso 1 1 calc R . .
H13B H 0.1453 0.3273 -0.0521 0.127 Uiso 1 1 calc R . .
H13C H 0.2031 0.2870 0.0166 0.127 Uiso 1 1 calc R . .
C14 C 0.2804(4) 0.3908(6) 0.1599(6) 0.077(3) Uani 1 1 d . . .
H14A H 0.2824 0.3313 0.1405 0.115 Uiso 1 1 calc R . .
H14B H 0.2904 0.3802 0.2074 0.115 Uiso 1 1 calc R . .
H14C H 0.3069 0.4359 0.1629 0.115 Uiso 1 1 calc R . .
C15 C 0.2311(4) 0.5518(6) 0.2051(5) 0.070(2) Uani 1 1 d . . .
H15A H 0.2602 0.5943 0.2121 0.105 Uiso 1 1 calc R . .
H15B H 0.2490 0.5018 0.2409 0.105 Uiso 1 1 calc R . .
H15C H 0.2050 0.5871 0.2098 0.105 Uiso 1 1 calc R . .
C16 C 0.1568(3) -0.2157(5) -0.0345(4) 0.0559(17) Uani 1 1 d . . .
H16 H 0.1274 -0.1851 -0.0767 0.067 Uiso 1 1 calc R . .
C17 C 0.1745(5) -0.3022(6) -0.0407(6) 0.078(3) Uani 1 1 d . . .
H17 H 0.1570 -0.3312 -0.0857 0.094 Uiso 1 1 calc R . .
C18 C 0.2197(5) -0.3463(6) 0.0221(7) 0.080(3) Uani 1 1 d . . .
H18 H 0.2335 -0.4054 0.0200 0.096 Uiso 1 1 calc R . .
C19 C 0.2433(4) -0.3023(6) 0.0863(7) 0.079(3) Uani 1 1 d . . .
H19 H 0.2743 -0.3298 0.1290 0.095 Uiso 1 1 calc R . .
C20 C 0.2210(3) -0.2163(5) 0.0877(5) 0.0592(18) Uani 1 1 d . . .
H20 H 0.2362 -0.1880 0.1324 0.071 Uiso 1 1 calc R . .
C21 C 0.0675(4) -0.1953(7) -0.3154(5) 0.082(3) Uani 1 1 d . . .
H21 H 0.0846 -0.2549 -0.3172 0.098 Uiso 1 1 calc R . .
C22 C 0.3792(4) 0.0037(8) 0.2360(5) 0.086(3) Uani 1 1 d . . .
H22 H 0.3753 -0.0328 0.2693 0.103 Uiso 1 1 calc R . .
Cl11 Cl 0.0000 0.0403(10) -0.2500 0.301(8) Uani 1 2 d S . .
Cl12 Cl -0.0753(4) 0.1384(7) -0.2475(5) 0.263(4) Uani 1 1 d . . .
Cl13 Cl -0.0330(7) 0.2316(7) -0.3138(7) 0.393(8) Uani 1 1 d . . .
C23 C -0.0377(7) 0.1097(11) -0.2871(11) 0.130(6) Uani 1 1 d . A -1
H23 H -0.0675 0.0790 -0.3332 0.156 Uiso 1 1 calc R A -1
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'
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'
Ir Ir -1.4442 7.9887 '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
C1 Ir1 C8 95.4(3) . .
C1 Ir1 C9 117.0(3) . .
C8 Ir1 C9 38.5(3) . .
C1 Ir1 C7 108.3(2) . .
C8 Ir1 C7 38.4(3) . .
C9 Ir1 C7 64.9(3) . .
C1 Ir1 C10 156.0(3) . .
C8 Ir1 C10 64.3(3) . .
C9 Ir1 C10 39.1(3) . .
C7 Ir1 C10 64.3(3) . .
C1 Ir1 C6 146.1(3) . .
C8 Ir1 C6 63.8(3) . .
C9 Ir1 C6 63.9(3) . .
C7 Ir1 C6 38.8(3) . .
C10 Ir1 C6 37.0(3) . .
C1 Ir1 Cl2 92.08(17) . .
C8 Ir1 Cl2 143.1(2) . .
C9 Ir1 Cl2 150.8(2) . .
C7 Ir1 Cl2 105.18(19) . .
C10 Ir1 Cl2 111.8(2) . .
C6 Ir1 Cl2 90.88(19) . .
C1 Ir1 Cl1 90.31(17) . .
C8 Ir1 Cl1 131.3(2) . .
C9 Ir1 Cl1 97.1(2) . .
C7 Ir1 Cl1 158.29(19) . .
C10 Ir1 Cl1 94.1(2) . .
C6 Ir1 Cl1 123.6(2) . .
Cl2 Ir1 Cl1 84.60(7) . .
C1 N1 N2 109.4(5) . .
C1 N1 C3 130.5(5) . .
N2 N1 C3 119.7(5) . .
N1 C1 N3 103.5(5) . .
N1 C1 Ir1 129.3(4) . .
N3 C1 Ir1 127.0(4) . .
C2 Pd2 N4 178.1(3) . .
C2 Pd2 Cl4 91.2(2) . .
N4 Pd2 Cl4 90.48(17) . .
C2 Pd2 Cl3 87.2(2) . .
N4 Pd2 Cl3 91.17(17) . .
Cl4 Pd2 Cl3 178.18(8) . .
N2 C2 N3 106.8(6) . .
N2 C2 Pd2 126.3(5) . .
N3 C2 Pd2 126.8(5) . .
C2 N2 N1 108.6(5) . .
C2 N2 C4 130.2(6) . .
N1 N2 C4 121.2(6) . .
C2 N3 C1 111.6(5) . .
C2 N3 C5 122.2(5) . .
C1 N3 C5 126.2(5) . .
C16 N4 C20 116.8(6) . .
C16 N4 Pd2 120.9(5) . .
C20 N4 Pd2 122.3(5) . .
C10 C6 C11 126.8(7) . .
C10 C6 C7 107.6(6) . .
C11 C6 C7 125.6(7) . .
C10 C6 Ir1 70.2(4) . .
C11 C6 Ir1 126.1(6) . .
C7 C6 Ir1 67.4(3) . .
C8 C7 C6 107.5(6) . .
C8 C7 C12 127.8(7) . .
C6 C7 C12 124.1(7) . .
C8 C7 Ir1 70.5(4) . .
C6 C7 Ir1 73.8(4) . .
C12 C7 Ir1 128.0(5) . .
C7 C8 C9 109.2(6) . .
C7 C8 C13 123.2(7) . .
C9 C8 C13 127.4(8) . .
C7 C8 Ir1 71.0(4) . .
C9 C8 Ir1 71.0(4) . .
C13 C8 Ir1 127.5(6) . .
C8 C9 C10 107.4(6) . .
C8 C9 C14 127.7(7) . .
C10 C9 C14 124.3(7) . .
C8 C9 Ir1 70.5(4) . .
C10 C9 Ir1 72.4(4) . .
C14 C9 Ir1 129.5(5) . .
C6 C10 C9 108.2(6) . .
C6 C10 C15 127.6(7) . .
C9 C10 C15 124.2(7) . .
C6 C10 Ir1 72.8(4) . .
C9 C10 Ir1 68.5(4) . .
C15 C10 Ir1 125.5(5) . .
N4 C16 C17 124.3(9) . .
C16 C17 C18 117.8(9) . .
C19 C18 C17 119.1(8) . .
C18 C19 C20 119.0(10) . .
N4 C20 C19 122.8(8) . .
Cl7 C21 Cl6 112.2(6) . .
Cl7 C21 Cl5 108.2(5) . .
Cl6 C21 Cl5 106.6(7) . .
Cl9 C22 Cl10 110.6(6) . .
Cl9 C22 Cl8 107.0(6) . .
Cl10 C22 Cl8 113.7(7) . .
C23 Cl11 C23 85.9(17) 2_554 .
C23 Cl13 Cl13 75.6(7) . 2_554
Cl11 C23 Cl12 110.3(12) . .
Cl11 C23 Cl13 134.0(12) . .
Cl12 C23 Cl13 98.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 2.019(6) .
Ir1 C8 2.156(7) .
Ir1 C9 2.162(6) .
Ir1 C7 2.163(6) .
Ir1 C10 2.216(6) .
Ir1 C6 2.251(6) .
Ir1 Cl2 2.4068(17) .
Ir1 Cl1 2.4256(17) .
N1 C1 1.339(8) .
N1 N2 1.410(6) .
N1 C3 1.451(8) .
C1 N3 1.387(7) .
Pd2 C2 1.972(6) .
Pd2 N4 2.070(5) .
Pd2 Cl4 2.290(2) .
Pd2 Cl3 2.301(2) .
C2 N2 1.298(9) .
C2 N3 1.357(9) .
N2 C4 1.459(9) .
N3 C5 1.458(9) .
N4 C16 1.326(9) .
N4 C20 1.330(10) .
Cl5 C21 1.771(10) .
C6 C10 1.418(10) .
C6 C11 1.468(10) .
C6 C7 1.470(10) .
Cl6 C21 1.747(11) .
C7 C8 1.422(10) .
C7 C12 1.515(10) .
Cl7 C21 1.724(10) .
C8 C9 1.424(11) .
C8 C13 1.488(11) .
Cl8 C22 1.796(11) .
C9 C10 1.465(10) .
C9 C14 1.496(11) .
Cl9 C22 1.708(11) .
C10 C15 1.493(11) .
Cl10 C22 1.708(10) .
C16 C17 1.351(11) .
C17 C18 1.386(15) .
C18 C19 1.349(15) .
C19 C20 1.370(11) .
Cl11 C23 1.320(16) 2_554
Cl11 C23 1.320(16) .
Cl12 C23 1.830(19) .
Cl13 C23 1.839(17) .
Cl13 Cl13 2.36(3) 2_554
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
N2 N1 C1 N3 0.5(6) .
C3 N1 C1 N3 -173.0(7) .
N2 N1 C1 Ir1 175.3(4) .
C3 N1 C1 Ir1 1.8(10) .
C8 Ir1 C1 N1 -100.7(6) .
C9 Ir1 C1 N1 -134.2(5) .
C7 Ir1 C1 N1 -63.6(6) .
C10 Ir1 C1 N1 -131.3(7) .
C6 Ir1 C1 N1 -51.6(8) .
Cl2 Ir1 C1 N1 43.1(6) .
Cl1 Ir1 C1 N1 127.7(5) .
C8 Ir1 C1 N3 72.9(6) .
C9 Ir1 C1 N3 39.5(6) .
C7 Ir1 C1 N3 110.0(5) .
C10 Ir1 C1 N3 42.3(9) .
C6 Ir1 C1 N3 122.1(6) .
Cl2 Ir1 C1 N3 -143.2(5) .
Cl1 Ir1 C1 N3 -58.6(5) .
N4 Pd2 C2 N2 65(8) .
Cl4 Pd2 C2 N2 -84.9(6) .
Cl3 Pd2 C2 N2 95.9(6) .
N4 Pd2 C2 N3 -111(8) .
Cl4 Pd2 C2 N3 98.5(6) .
Cl3 Pd2 C2 N3 -80.7(6) .
N3 C2 N2 N1 1.4(7) .
Pd2 C2 N2 N1 -175.7(5) .
N3 C2 N2 C4 -178.6(8) .
Pd2 C2 N2 C4 4.3(12) .
C1 N1 N2 C2 -1.3(7) .
C3 N1 N2 C2 173.1(6) .
C1 N1 N2 C4 178.7(7) .
C3 N1 N2 C4 -6.9(10) .
N2 C2 N3 C1 -1.2(8) .
Pd2 C2 N3 C1 176.0(5) .
N2 C2 N3 C5 -180.0(6) .
Pd2 C2 N3 C5 -2.8(10) .
N1 C1 N3 C2 0.4(7) .
Ir1 C1 N3 C2 -174.6(5) .
N1 C1 N3 C5 179.1(6) .
Ir1 C1 N3 C5 4.2(9) .
C2 Pd2 N4 C16 -27(8) .
Cl4 Pd2 N4 C16 122.7(5) .
Cl3 Pd2 N4 C16 -58.1(5) .
C2 Pd2 N4 C20 151(8) .
Cl4 Pd2 N4 C20 -58.7(6) .
Cl3 Pd2 N4 C20 120.5(6) .
C1 Ir1 C6 C10 -138.4(5) .
C8 Ir1 C6 C10 -81.3(5) .
C9 Ir1 C6 C10 -38.2(4) .
C7 Ir1 C6 C10 -119.9(6) .
Cl2 Ir1 C6 C10 126.6(4) .
Cl1 Ir1 C6 C10 42.5(5) .
C1 Ir1 C6 C11 100.0(8) .
C8 Ir1 C6 C11 157.1(8) .
C9 Ir1 C6 C11 -159.8(8) .
C7 Ir1 C6 C11 118.5(9) .
C10 Ir1 C6 C11 -121.6(9) .
Cl2 Ir1 C6 C11 5.0(7) .
Cl1 Ir1 C6 C11 -79.1(8) .
C1 Ir1 C6 C7 -18.4(6) .
C8 Ir1 C6 C7 38.6(4) .
C9 Ir1 C6 C7 81.7(4) .
C10 Ir1 C6 C7 119.9(6) .
Cl2 Ir1 C6 C7 -113.5(4) .
Cl1 Ir1 C6 C7 162.4(3) .
C10 C6 C7 C8 -4.1(8) .
C11 C6 C7 C8 177.9(7) .
Ir1 C6 C7 C8 -62.9(5) .
C10 C6 C7 C12 -176.0(7) .
C11 C6 C7 C12 6.1(11) .
Ir1 C6 C7 C12 125.2(7) .
C10 C6 C7 Ir1 58.8(5) .
C11 C6 C7 Ir1 -119.2(7) .
C1 Ir1 C7 C8 -75.0(4) .
C9 Ir1 C7 C8 36.9(4) .
C10 Ir1 C7 C8 80.4(4) .
C6 Ir1 C7 C8 115.7(6) .
Cl2 Ir1 C7 C8 -172.4(4) .
Cl1 Ir1 C7 C8 72.9(7) .
C1 Ir1 C7 C6 169.3(4) .
C8 Ir1 C7 C6 -115.7(6) .
C9 Ir1 C7 C6 -78.8(4) .
C10 Ir1 C7 C6 -35.4(4) .
Cl2 Ir1 C7 C6 71.8(4) .
Cl1 Ir1 C7 C6 -42.8(7) .
C1 Ir1 C7 C12 48.3(7) .
C8 Ir1 C7 C12 123.3(8) .
C9 Ir1 C7 C12 160.2(8) .
C10 Ir1 C7 C12 -156.3(8) .
C6 Ir1 C7 C12 -121.0(8) .
Cl2 Ir1 C7 C12 -49.1(7) .
Cl1 Ir1 C7 C12 -163.8(5) .
C6 C7 C8 C9 4.1(8) .
C12 C7 C8 C9 175.5(7) .
Ir1 C7 C8 C9 -61.0(5) .
C6 C7 C8 C13 -171.9(7) .
C12 C7 C8 C13 -0.5(12) .
Ir1 C7 C8 C13 123.0(8) .
C6 C7 C8 Ir1 65.1(5) .
C12 C7 C8 Ir1 -123.5(7) .
C1 Ir1 C8 C7 112.9(4) .
C9 Ir1 C8 C7 -119.1(6) .
C10 Ir1 C8 C7 -80.3(4) .
C6 Ir1 C8 C7 -39.0(4) .
Cl2 Ir1 C8 C7 12.3(6) .
Cl1 Ir1 C8 C7 -151.9(3) .
C1 Ir1 C8 C9 -127.9(4) .
C7 Ir1 C8 C9 119.1(6) .
C10 Ir1 C8 C9 38.8(4) .
C6 Ir1 C8 C9 80.1(4) .
Cl2 Ir1 C8 C9 131.4(4) .
Cl1 Ir1 C8 C9 -32.8(5) .
C1 Ir1 C8 C13 -4.9(8) .
C9 Ir1 C8 C13 123.0(10) .
C7 Ir1 C8 C13 -117.8(9) .
C10 Ir1 C8 C13 161.8(9) .
C6 Ir1 C8 C13 -156.8(9) .
Cl2 Ir1 C8 C13 -105.6(8) .
Cl1 Ir1 C8 C13 90.2(8) .
C7 C8 C9 C10 -2.5(8) .
C13 C8 C9 C10 173.3(7) .
Ir1 C8 C9 C10 -63.5(5) .
C7 C8 C9 C14 -173.5(7) .
C13 C8 C9 C14 2.2(13) .
Ir1 C8 C9 C14 125.4(8) .
C7 C8 C9 Ir1 61.0(5) .
C13 C8 C9 Ir1 -123.2(8) .
C1 Ir1 C9 C8 61.8(5) .
C7 Ir1 C9 C8 -36.9(4) .
C10 Ir1 C9 C8 -116.3(6) .
C6 Ir1 C9 C8 -80.1(5) .
Cl2 Ir1 C9 C8 -112.6(5) .
Cl1 Ir1 C9 C8 155.8(4) .
C1 Ir1 C9 C10 178.2(4) .
C8 Ir1 C9 C10 116.3(6) .
C7 Ir1 C9 C10 79.5(4) .
C6 Ir1 C9 C10 36.2(4) .
Cl2 Ir1 C9 C10 3.7(7) .
Cl1 Ir1 C9 C10 -87.9(4) .
C1 Ir1 C9 C14 -61.5(8) .
C8 Ir1 C9 C14 -123.3(10) .
C7 Ir1 C9 C14 -160.2(9) .
C10 Ir1 C9 C14 120.3(10) .
C6 Ir1 C9 C14 156.6(9) .
Cl2 Ir1 C9 C14 124.1(7) .
Cl1 Ir1 C9 C14 32.5(8) .
C11 C6 C10 C9 -179.5(7) .
C7 C6 C10 C9 2.6(7) .
Ir1 C6 C10 C9 59.6(4) .
C11 C6 C10 C15 -1.1(12) .
C7 C6 C10 C15 -179.0(7) .
Ir1 C6 C10 C15 -121.9(8) .
C11 C6 C10 Ir1 120.9(8) .
C7 C6 C10 Ir1 -57.0(4) .
C8 C9 C10 C6 -0.1(8) .
C14 C9 C10 C6 171.3(7) .
Ir1 C9 C10 C6 -62.4(5) .
C8 C9 C10 C15 -178.6(7) .
C14 C9 C10 C15 -7.2(11) .
Ir1 C9 C10 C15 119.1(7) .
C8 C9 C10 Ir1 62.3(5) .
C14 C9 C10 Ir1 -126.3(7) .
C1 Ir1 C10 C6 114.2(7) .
C8 Ir1 C10 C6 79.9(5) .
C9 Ir1 C10 C6 118.2(6) .
C7 Ir1 C10 C6 37.1(4) .
Cl2 Ir1 C10 C6 -59.8(5) .
Cl1 Ir1 C10 C6 -145.7(4) .
C1 Ir1 C10 C9 -4.0(8) .
C8 Ir1 C10 C9 -38.3(4) .
C7 Ir1 C10 C9 -81.1(5) .
C6 Ir1 C10 C9 -118.2(6) .
Cl2 Ir1 C10 C9 -178.0(4) .
Cl1 Ir1 C10 C9 96.1(4) .
C1 Ir1 C10 C15 -121.4(8) .
C8 Ir1 C10 C15 -155.7(8) .
C9 Ir1 C10 C15 -117.4(8) .
C7 Ir1 C10 C15 161.5(8) .
C6 Ir1 C10 C15 124.4(9) .
Cl2 Ir1 C10 C15 64.5(7) .
Cl1 Ir1 C10 C15 -21.3(7) .
C20 N4 C16 C17 0.8(11) .
Pd2 N4 C16 C17 179.5(6) .
N4 C16 C17 C18 -2.3(12) .
C16 C17 C18 C19 0.9(12) .
C17 C18 C19 C20 1.7(12) .
C16 N4 C20 C19 2.0(11) .
Pd2 N4 C20 C19 -176.7(6) .
C18 C19 C20 N4 -3.3(12) .
C23 Cl11 C23 Cl12 -93.2(14) 2_554
C23 Cl11 C23 Cl13 32.0(11) 2_554
Cl13 Cl13 C23 Cl11 -57.5(19) 2_554
Cl13 Cl13 C23 Cl12 71.8(10) 2_554
