#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:29:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179751 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/47/7004774.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_7004774
loop_
_publ_author_name
'Heckenroth, Marion'
'Kluser, Evelyne'
'Neels, Antonia'
'Albrecht, Martin'
_publ_section_title
;
 Palladation of diimidazolium salts at the C4 position: access to
 remarkably electron-rich palladium(ii) centers
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6242
_journal_page_last               6249
_journal_paper_doi               10.1039/b812405a
_journal_year                    2008
_chemical_formula_sum            'C27 H32 I2 N4 Pd'
_chemical_formula_weight         772.77
_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                66.710(8)
_cell_angle_beta                 83.725(9)
_cell_angle_gamma                78.530(9)
_cell_formula_units_Z            2
_cell_length_a                   9.8664(11)
_cell_length_b                   12.3939(15)
_cell_length_c                   12.8016(13)
_cell_measurement_reflns_used    13671
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.55
_cell_measurement_theta_min      1.73
_cell_volume                     1408.3(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15991
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    2.873
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULscanABS, (PLATON03, Speck, 2003)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5004
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.936
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0262
_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)+(0.0341P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0598
_reflns_number_gt                3974
_reflns_number_total             5004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812405a.txt
_cod_data_source_block           2c
_cod_database_code               7004774
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0530(4) 0.6738(3) 0.2256(3) 0.0319(8) Uani 1 1 d . . .
C2 C 1.0993(4) 0.7194(4) 0.1156(3) 0.0353(9) Uani 1 1 d . . .
H2A H 1.0439 0.7645 0.0536 0.042 Uiso 1 1 calc R . .
C3 C 1.2876(4) 0.6235(3) 0.2145(3) 0.0329(8) Uani 1 1 d . . .
C4 C 1.1748(4) 0.5500(3) 0.4070(3) 0.0376(9) Uani 1 1 d . . .
H4A H 1.1282 0.4821 0.4280 0.045 Uiso 1 1 calc R . .
H4B H 1.2690 0.5212 0.4326 0.045 Uiso 1 1 calc R . .
C5 C 1.1515(4) 0.6527(3) 0.5418(3) 0.0336(8) Uani 1 1 d . . .
C6 C 0.9403(4) 0.7571(3) 0.4973(3) 0.0346(8) Uani 1 1 d . . .
H6A H 0.8584 0.8089 0.4987 0.042 Uiso 1 1 calc R . .
C7 C 0.9687(4) 0.6954(3) 0.4281(3) 0.0326(8) Uani 1 1 d . . .
C8 C 1.3267(4) 0.7313(4) 0.0072(3) 0.0340(8) Uani 1 1 d . . .
C9 C 1.3767(4) 0.8355(4) -0.0171(4) 0.0386(9) Uani 1 1 d . . .
C10 C 1.4511(4) 0.8797(4) -0.1199(4) 0.0457(10) Uani 1 1 d . . .
H10A H 1.4860 0.9497 -0.1385 0.055 Uiso 1 1 calc R . .
C11 C 1.4743(4) 0.8215(4) -0.1950(4) 0.0455(10) Uani 1 1 d . . .
C12 C 1.4229(4) 0.7177(4) -0.1659(4) 0.0455(10) Uani 1 1 d . . .
H12A H 1.4395 0.6779 -0.2155 0.055 Uiso 1 1 calc R . .
C13 C 1.3470(4) 0.6700(4) -0.0651(3) 0.0400(9) Uani 1 1 d . . .
C14 C 1.3543(5) 0.8995(4) 0.0641(4) 0.0528(11) Uani 1 1 d . . .
H14A H 1.4271 0.8674 0.1176 0.079 Uiso 1 1 calc R . .
H14B H 1.2668 0.8888 0.1042 0.079 Uiso 1 1 calc R . .
H14C H 1.3548 0.9830 0.0219 0.079 Uiso 1 1 calc R . .
C15 C 1.5533(6) 0.8724(5) -0.3059(4) 0.0680(15) Uani 1 1 d . . .
H15A H 1.6452 0.8759 -0.2909 0.102 Uiso 1 1 calc R . .
H15B H 1.5070 0.9513 -0.3494 0.102 Uiso 1 1 calc R . .
H15C H 1.5579 0.8226 -0.3480 0.102 Uiso 1 1 calc R . .
C16 C 1.2882(5) 0.5585(4) -0.0363(4) 0.0562(12) Uani 1 1 d . . .
H16A H 1.1906 0.5736 -0.0199 0.084 Uiso 1 1 calc R . .
H16B H 1.3326 0.4964 0.0290 0.084 Uiso 1 1 calc R . .
H16C H 1.3036 0.5341 -0.0997 0.084 Uiso 1 1 calc R . .
C17 C 1.4312(4) 0.5705(4) 0.2469(4) 0.0450(10) Uani 1 1 d . . .
H17A H 1.4612 0.6081 0.2910 0.067 Uiso 1 1 calc R . .
H17B H 1.4896 0.5819 0.1796 0.067 Uiso 1 1 calc R . .
H17C H 1.4368 0.4867 0.2914 0.067 Uiso 1 1 calc R . .
C18 C 1.2851(4) 0.5999(4) 0.5983(4) 0.0429(10) Uani 1 1 d . . .
H18A H 1.3594 0.6228 0.5436 0.064 Uiso 1 1 calc R . .
H18B H 1.2939 0.5146 0.6303 0.064 Uiso 1 1 calc R . .
H18C H 1.2889 0.6279 0.6578 0.064 Uiso 1 1 calc R . .
C19 C 1.0593(4) 0.7881(3) 0.6433(3) 0.0347(8) Uani 1 1 d . . .
C20 C 0.9817(4) 0.7550(4) 0.7441(3) 0.0395(9) Uani 1 1 d . . .
C21 C 0.9773(4) 0.8212(4) 0.8111(3) 0.0435(10) Uani 1 1 d . . .
H21A H 0.9232 0.8025 0.8780 0.052 Uiso 1 1 calc R . .
C22 C 1.0510(4) 0.9138(3) 0.7809(3) 0.0402(9) Uani 1 1 d . . .
C23 C 1.1320(4) 0.9403(3) 0.6811(4) 0.0411(10) Uani 1 1 d . . .
H23A H 1.1851 0.9999 0.6621 0.049 Uiso 1 1 calc R . .
C24 C 1.1362(4) 0.8809(4) 0.6090(3) 0.0381(9) Uani 1 1 d . . .
C25 C 0.9060(5) 0.6505(4) 0.7822(4) 0.0558(12) Uani 1 1 d . . .
H25A H 0.9719 0.5781 0.7974 0.084 Uiso 1 1 calc R . .
H25B H 0.8466 0.6604 0.7233 0.084 Uiso 1 1 calc R . .
H25C H 0.8515 0.6464 0.8501 0.084 Uiso 1 1 calc R . .
C26 C 1.0409(5) 0.9882(4) 0.8506(4) 0.0562(12) Uani 1 1 d . . .
H26A H 1.1305 0.9806 0.8780 0.084 Uiso 1 1 calc R . .
H26B H 0.9772 0.9615 0.9139 0.084 Uiso 1 1 calc R . .
H26C H 1.0086 1.0702 0.8043 0.084 Uiso 1 1 calc R . .
C27 C 1.2176(5) 0.9168(4) 0.4979(4) 0.0507(11) Uani 1 1 d . . .
H27C H 1.2550 0.9868 0.4863 0.076 Uiso 1 1 calc R . .
H27A H 1.1581 0.9336 0.4369 0.076 Uiso 1 1 calc R . .
H27B H 1.2919 0.8530 0.4996 0.076 Uiso 1 1 calc R . .
N1 N 1.2428(3) 0.6881(3) 0.1101(3) 0.0323(7) Uani 1 1 d . . .
N2 N 1.1749(3) 0.6147(3) 0.2846(3) 0.0311(7) Uani 1 1 d . . .
N3 N 1.1030(3) 0.6311(3) 0.4590(3) 0.0332(7) Uani 1 1 d . . .
N4 N 1.0523(3) 0.7312(3) 0.5659(3) 0.0340(7) Uani 1 1 d . . .
I1 I 0.75005(3) 0.71346(3) 0.11705(2) 0.04592(9) Uani 1 1 d . . .
I2 I 0.62159(3) 0.74523(3) 0.40173(2) 0.04484(9) Uani 1 1 d . . .
Pd1 Pd 0.86799(3) 0.69846(3) 0.29992(2) 0.03109(8) 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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
C2 C1 N2 103.0(3) . . ?
C2 C1 Pd1 132.0(3) . . ?
N2 C1 Pd1 124.3(3) . . ?
C1 C2 N1 109.5(3) . . ?
C1 C2 H2A 125.3 . . ?
N1 C2 H2A 125.3 . . ?
N1 C3 N2 106.3(3) . . ?
N1 C3 C17 127.0(3) . . ?
N2 C3 C17 126.7(4) . . ?
N3 C4 N2 107.8(3) . . ?
N3 C4 H4A 110.2 . . ?
N2 C4 H4A 110.2 . . ?
N3 C4 H4B 110.2 . . ?
N2 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
N4 C5 N3 106.1(3) . . ?
N4 C5 C18 125.9(3) . . ?
N3 C5 C18 128.0(4) . . ?
C7 C6 N4 109.7(3) . . ?
C7 C6 H6A 125.1 . . ?
N4 C6 H6A 125.1 . . ?
C6 C7 N3 103.0(3) . . ?
C6 C7 Pd1 132.4(3) . . ?
N3 C7 Pd1 124.3(3) . . ?
C9 C8 C13 123.3(4) . . ?
C9 C8 N1 118.0(3) . . ?
C13 C8 N1 118.6(3) . . ?
C8 C9 C10 117.3(4) . . ?
C8 C9 C14 122.1(4) . . ?
C10 C9 C14 120.6(4) . . ?
C11 C10 C9 121.5(4) . . ?
C11 C10 H10A 119.2 . . ?
C9 C10 H10A 119.2 . . ?
C12 C11 C10 118.6(4) . . ?
C12 C11 C15 121.2(4) . . ?
C10 C11 C15 120.2(4) . . ?
C11 C12 C13 122.4(4) . . ?
C11 C12 H12A 118.8 . . ?
C13 C12 H12A 118.8 . . ?
C8 C13 C12 116.9(4) . . ?
C8 C13 C16 121.5(4) . . ?
C12 C13 C16 121.7(4) . . ?
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 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C3 C17 H17A 109.5 . . ?
C3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C5 C18 H18A 109.5 . . ?
C5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 123.0(4) . . ?
C20 C19 N4 118.5(3) . . ?
C24 C19 N4 118.3(3) . . ?
C19 C20 C21 117.3(4) . . ?
C19 C20 C25 122.0(4) . . ?
C21 C20 C25 120.7(4) . . ?
C22 C21 C20 121.9(4) . . ?
C22 C21 H21A 119.0 . . ?
C20 C21 H21A 119.0 . . ?
C21 C22 C23 118.5(4) . . ?
C21 C22 C26 121.7(4) . . ?
C23 C22 C26 119.8(4) . . ?
C24 C23 C22 122.2(4) . . ?
C24 C23 H23A 118.9 . . ?
C22 C23 H23A 118.9 . . ?
C23 C24 C19 117.0(4) . . ?
C23 C24 C27 121.0(4) . . ?
C19 C24 C27 122.0(4) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
H27C C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27C C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C3 N1 C2 109.0(3) . . ?
C3 N1 C8 126.9(3) . . ?
C2 N1 C8 123.8(3) . . ?
C3 N2 C1 112.1(3) . . ?
C3 N2 C4 125.4(3) . . ?
C1 N2 C4 122.4(3) . . ?
C5 N3 C7 112.1(3) . . ?
C5 N3 C4 125.7(3) . . ?
C7 N3 C4 122.1(3) . . ?
C5 N4 C6 109.0(3) . . ?
C5 N4 C19 127.1(3) . . ?
C6 N4 C19 123.8(3) . . ?
C1 Pd1 C7 86.68(15) . . ?
C1 Pd1 I1 89.44(10) . . ?
C7 Pd1 I1 174.95(10) . . ?
C1 Pd1 I2 176.09(11) . . ?
C7 Pd1 I2 91.11(11) . . ?
I1 Pd1 I2 92.585(15) . . ?
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
C1 C2 1.358(5) . ?
C1 N2 1.401(5) . ?
C1 Pd1 1.990(4) . ?
C2 N1 1.393(5) . ?
C2 H2A 0.9300 . ?
C3 N1 1.328(5) . ?
C3 N2 1.344(5) . ?
C3 C17 1.468(5) . ?
C4 N3 1.448(5) . ?
C4 N2 1.451(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 N4 1.338(5) . ?
C5 N3 1.347(5) . ?
C5 C18 1.476(5) . ?
C6 C7 1.358(5) . ?
C6 N4 1.394(5) . ?
C6 H6A 0.9300 . ?
C7 N3 1.411(5) . ?
C7 Pd1 1.994(4) . ?
C8 C9 1.382(5) . ?
C8 C13 1.388(6) . ?
C8 N1 1.445(5) . ?
C9 C10 1.396(6) . ?
C9 C14 1.513(6) . ?
C10 C11 1.390(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.375(6) . ?
C11 C15 1.505(6) . ?
C12 C13 1.392(6) . ?
C12 H12A 0.9300 . ?
C13 C16 1.501(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.381(5) . ?
C19 C24 1.402(5) . ?
C19 N4 1.440(5) . ?
C20 C21 1.394(6) . ?
C20 C25 1.510(6) . ?
C21 C22 1.384(6) . ?
C21 H21A 0.9300 . ?
C22 C23 1.388(6) . ?
C22 C26 1.500(6) . ?
C23 C24 1.383(6) . ?
C23 H23A 0.9300 . ?
C24 C27 1.502(6) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
I1 Pd1 2.6522(5) . ?
I2 Pd1 2.6998(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
N2 C1 C2 N1 0.2(4) . . . . ?
Pd1 C1 C2 N1 170.9(3) . . . . ?
N4 C6 C7 N3 0.2(4) . . . . ?
N4 C6 C7 Pd1 -173.4(3) . . . . ?
C13 C8 C9 C10 0.0(6) . . . . ?
N1 C8 C9 C10 -176.6(3) . . . . ?
C13 C8 C9 C14 -179.3(4) . . . . ?
N1 C8 C9 C14 4.2(6) . . . . ?
C8 C9 C10 C11 0.0(6) . . . . ?
C14 C9 C10 C11 179.2(4) . . . . ?
C9 C10 C11 C12 -0.4(6) . . . . ?
C9 C10 C11 C15 179.1(4) . . . . ?
C10 C11 C12 C13 1.0(7) . . . . ?
C15 C11 C12 C13 -178.6(4) . . . . ?
C9 C8 C13 C12 0.5(6) . . . . ?
N1 C8 C13 C12 177.0(3) . . . . ?
C9 C8 C13 C16 -178.7(4) . . . . ?
N1 C8 C13 C16 -2.2(6) . . . . ?
C11 C12 C13 C8 -1.0(6) . . . . ?
C11 C12 C13 C16 178.2(4) . . . . ?
C24 C19 C20 C21 2.4(6) . . . . ?
N4 C19 C20 C21 -172.5(4) . . . . ?
C24 C19 C20 C25 -176.6(4) . . . . ?
N4 C19 C20 C25 8.4(6) . . . . ?
C19 C20 C21 C22 -2.2(6) . . . . ?
C25 C20 C21 C22 176.9(4) . . . . ?
C20 C21 C22 C23 -0.4(6) . . . . ?
C20 C21 C22 C26 177.2(4) . . . . ?
C21 C22 C23 C24 3.0(6) . . . . ?
C26 C22 C23 C24 -174.7(4) . . . . ?
C22 C23 C24 C19 -2.8(6) . . . . ?
C22 C23 C24 C27 176.0(4) . . . . ?
C20 C19 C24 C23 0.0(6) . . . . ?
N4 C19 C24 C23 174.9(3) . . . . ?
C20 C19 C24 C27 -178.8(4) . . . . ?
N4 C19 C24 C27 -3.9(6) . . . . ?
N2 C3 N1 C2 -0.3(4) . . . . ?
C17 C3 N1 C2 178.7(4) . . . . ?
N2 C3 N1 C8 173.6(3) . . . . ?
C17 C3 N1 C8 -7.4(6) . . . . ?
C1 C2 N1 C3 0.1(4) . . . . ?
C1 C2 N1 C8 -174.1(3) . . . . ?
C9 C8 N1 C3 -83.0(5) . . . . ?
C13 C8 N1 C3 100.3(5) . . . . ?
C9 C8 N1 C2 90.1(4) . . . . ?
C13 C8 N1 C2 -86.6(5) . . . . ?
N1 C3 N2 C1 0.4(4) . . . . ?
C17 C3 N2 C1 -178.6(4) . . . . ?
N1 C3 N2 C4 179.0(3) . . . . ?
C17 C3 N2 C4 0.0(6) . . . . ?
C2 C1 N2 C3 -0.3(4) . . . . ?
Pd1 C1 N2 C3 -172.1(3) . . . . ?
C2 C1 N2 C4 -179.0(3) . . . . ?
Pd1 C1 N2 C4 9.3(5) . . . . ?
N3 C4 N2 C3 126.6(4) . . . . ?
N3 C4 N2 C1 -54.9(4) . . . . ?
N4 C5 N3 C7 -0.6(4) . . . . ?
C18 C5 N3 C7 178.1(4) . . . . ?
N4 C5 N3 C4 -179.1(3) . . . . ?
C18 C5 N3 C4 -0.4(6) . . . . ?
C6 C7 N3 C5 0.3(4) . . . . ?
Pd1 C7 N3 C5 174.5(3) . . . . ?
C6 C7 N3 C4 178.8(3) . . . . ?
Pd1 C7 N3 C4 -6.9(5) . . . . ?
N2 C4 N3 C5 -128.2(4) . . . . ?
N2 C4 N3 C7 53.4(4) . . . . ?
N3 C5 N4 C6 0.7(4) . . . . ?
C18 C5 N4 C6 -178.1(4) . . . . ?
N3 C5 N4 C19 -175.3(3) . . . . ?
C18 C5 N4 C19 6.0(6) . . . . ?
C7 C6 N4 C5 -0.5(4) . . . . ?
C7 C6 N4 C19 175.6(3) . . . . ?
C20 C19 N4 C5 -109.3(4) . . . . ?
C24 C19 N4 C5 75.5(5) . . . . ?
C20 C19 N4 C6 75.3(5) . . . . ?
C24 C19 N4 C6 -99.9(4) . . . . ?
C2 C1 Pd1 C7 -140.8(4) . . . . ?
N2 C1 Pd1 C7 28.3(3) . . . . ?
C2 C1 Pd1 I1 36.0(4) . . . . ?
N2 C1 Pd1 I1 -154.9(3) . . . . ?
C2 C1 Pd1 I2 -85.2(16) . . . . ?
N2 C1 Pd1 I2 83.9(16) . . . . ?
C6 C7 Pd1 C1 143.0(4) . . . . ?
N3 C7 Pd1 C1 -29.4(3) . . . . ?
C6 C7 Pd1 I1 103.3(12) . . . . ?
N3 C7 Pd1 I1 -69.1(14) . . . . ?
C6 C7 Pd1 I2 -33.8(4) . . . . ?
N3 C7 Pd1 I2 153.8(3) . . . . ?
