#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/11/7021188.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_7021188
loop_
_publ_author_name
'Sluijter, Soraya N.'
'Warsink, Stefan'
'Lutz, Martin'
'Elsevier, Cornelis J.'
_publ_section_title
;
 Synthesis of palladium(0) and -(ii) complexes with chelating
 bis(N-heterocyclic carbene) ligands and their application in
 semihydrogenation.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7365
_journal_page_last               7372
_journal_paper_doi               10.1039/c3dt32835j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C29 H30 N4 O3 Pd, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C29.5 H31 Cl N4 O3 Pd'
_chemical_formula_weight         631.43
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.2168(17)
_cell_angle_beta                 99.4456(17)
_cell_angle_gamma                106.8020(17)
_cell_formula_units_Z            2
_cell_length_a                   11.0535(6)
_cell_length_b                   11.5821(7)
_cell_length_c                   11.9965(6)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.24
_cell_volume                     1401.91(14)
_computing_cell_refinement       'SAINT V7.68A'
_computing_data_collection       Apex2
_computing_data_reduction        'SAINT V7.68A, SADABS-2008/1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            28028
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.898
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6357
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0477P)²+1.1514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                5611
_reflns_number_total             6357
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c3dt32835j.txt
_cod_data_source_block           l0231a
_cod_original_cell_volume        1401.91(13)
_cod_original_formula_sum        'C29.50 H31 Cl N4 O3 Pd'
_cod_database_code               7021188
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
Pd1 Pd 0.391171(16) 0.341336(16) 0.772802(16) 0.01562(7) Uani 1 1 d .
O1 O 0.48234(19) 0.59082(17) 0.61319(17) 0.0275(4) Uani 1 1 d .
O2 O 0.62894(16) 0.51524(17) 0.69795(16) 0.0231(4) Uani 1 1 d .
O3 O 0.73875(18) 0.3921(2) 0.75126(18) 0.0325(5) Uani 1 1 d .
N1 N 0.12692(19) 0.38839(19) 0.75459(18) 0.0193(4) Uani 1 1 d .
N2 N 0.21862(19) 0.40347(19) 0.92999(18) 0.0180(4) Uani 1 1 d .
N3 N 0.36856(19) 0.31215(19) 1.01530(18) 0.0183(4) Uani 1 1 d .
N4 N 0.45507(19) 0.18237(19) 0.94162(18) 0.0185(4) Uani 1 1 d .
C1 C 0.0665(3) 0.2938(3) 0.2594(2) 0.0330(6) Uani 1 1 d .
H1A H 0.0820 0.3720 0.2353 0.049 Uiso 1 1 calc R
H1B H -0.0211 0.2368 0.2187 0.049 Uiso 1 1 calc R
H1C H 0.1309 0.2553 0.2395 0.049 Uiso 1 1 calc R
C2 C 0.0782(2) 0.3206(3) 0.3895(2) 0.0242(5) Uani 1 1 d .
C3 C 0.1330(2) 0.4418(2) 0.4606(2) 0.0237(5) Uani 1 1 d .
H3 H 0.1611 0.5087 0.4257 0.028 Uiso 1 1 calc R
C4 C 0.1480(2) 0.4676(2) 0.5812(2) 0.0218(5) Uani 1 1 d .
C5 C 0.2104(3) 0.5987(2) 0.6571(3) 0.0291(6) Uani 1 1 d .
H5A H 0.1569 0.6155 0.7118 0.044 Uiso 1 1 calc R
H5B H 0.2177 0.6576 0.6080 0.044 Uiso 1 1 calc R
H5C H 0.2972 0.6085 0.7012 0.044 Uiso 1 1 calc R
C6 C 0.1037(2) 0.3670(2) 0.6289(2) 0.0202(5) Uani 1 1 d .
C7 C 0.0452(2) 0.2450(2) 0.5609(2) 0.0241(5) Uani 1 1 d .
C8 C -0.0039(3) 0.1394(3) 0.6165(3) 0.0374(7) Uani 1 1 d .
H8A H -0.0485 0.0616 0.5553 0.056 Uiso 1 1 calc R
H8B H -0.0647 0.1578 0.6625 0.056 Uiso 1 1 calc R
H8C H 0.0697 0.1303 0.6677 0.056 Uiso 1 1 calc R
C9 C 0.0338(2) 0.2238(2) 0.4410(2) 0.0245(5) Uani 1 1 d .
H9 H -0.0053 0.1410 0.3930 0.029 Uiso 1 1 calc R
C10 C 0.0379(2) 0.4017(2) 0.8213(2) 0.0241(5) Uani 1 1 d .
H10 H -0.0470 0.4035 0.7940 0.029 Uiso 1 1 calc R
C11 C 0.0956(2) 0.4114(2) 0.9325(2) 0.0215(5) Uani 1 1 d .
H11 H 0.0597 0.4215 0.9990 0.026 Uiso 1 1 calc R
C12 C 0.2392(2) 0.3888(2) 0.8209(2) 0.0180(5) Uani 1 1 d .
C13 C 0.3160(2) 0.4144(2) 1.0325(2) 0.0198(5) Uani 1 1 d .
H13A H 0.2765 0.4145 1.1008 0.024 Uiso 1 1 calc R
H13B H 0.3875 0.4947 1.0493 0.024 Uiso 1 1 calc R
C14 C 0.3896(3) 0.2470(2) 1.0983(2) 0.0239(5) Uani 1 1 d .
H14 H 0.3698 0.2580 1.1729 0.029 Uiso 1 1 calc R
C15 C 0.4436(3) 0.1654(2) 1.0512(2) 0.0249(5) Uani 1 1 d .
H15 H 0.4693 0.1068 1.0864 0.030 Uiso 1 1 calc R
C16 C 0.4104(2) 0.2749(2) 0.9184(2) 0.0181(5) Uani 1 1 d .
C17 C 0.5118(2) 0.1143(2) 0.8639(2) 0.0192(5) Uani 1 1 d .
C18 C 0.6471(2) 0.1494(2) 0.8843(2) 0.0215(5) Uani 1 1 d .
C19 C 0.7343(3) 0.2581(3) 0.9835(3) 0.0347(7) Uani 1 1 d .
H19A H 0.8253 0.2696 0.9819 0.052 Uiso 1 1 calc R
H19B H 0.7191 0.2415 1.0580 0.052 Uiso 1 1 calc R
H19C H 0.7150 0.3339 0.9751 0.052 Uiso 1 1 calc R
C20 C 0.6993(3) 0.0816(2) 0.8094(2) 0.0255(5) Uani 1 1 d .
H20 H 0.7911 0.1045 0.8219 0.031 Uiso 1 1 calc R
C21 C 0.6224(3) -0.0188(2) 0.7165(2) 0.0257(5) Uani 1 1 d .
C22 C 0.6817(3) -0.0929(3) 0.6379(3) 0.0379(7) Uani 1 1 d .
H22A H 0.6817 -0.0654 0.5656 0.057 Uiso 1 1 calc R
H22B H 0.6308 -0.1818 0.6191 0.057 Uiso 1 1 calc R
H22C H 0.7713 -0.0796 0.6778 0.057 Uiso 1 1 calc R
C23 C 0.4880(3) -0.0498(2) 0.6985(2) 0.0262(6) Uani 1 1 d .
H23 H 0.4339 -0.1176 0.6349 0.031 Uiso 1 1 calc R
C24 C 0.4307(2) 0.0155(2) 0.7707(2) 0.0241(5) Uani 1 1 d .
C25 C 0.2846(3) -0.0199(3) 0.7498(3) 0.0430(8) Uani 1 1 d .
H25A H 0.2578 -0.0345 0.8211 0.064 Uiso 1 1 calc R
H25B H 0.2437 -0.0961 0.6861 0.064 Uiso 1 1 calc R
H25C H 0.2576 0.0479 0.7285 0.064 Uiso 1 1 calc R
C26 C 0.4237(2) 0.3701(2) 0.6115(2) 0.0194(5) Uani 1 1 d .
H26 H 0.350(3) 0.337(2) 0.544(2) 0.013(6) Uiso 1 1 d .
C27 C 0.5075(2) 0.3059(2) 0.6561(2) 0.0206(5) Uani 1 1 d .
H27 H 0.498(3) 0.224(3) 0.627(3) 0.029(8) Uiso 1 1 d .
C28 C 0.6349(2) 0.3979(2) 0.7056(2) 0.0231(5) Uani 1 1 d .
C29 C 0.5029(2) 0.5004(2) 0.6351(2) 0.0204(5) Uani 1 1 d .
Cl1 Cl 0.05163(11) 0.08932(13) -0.06557(13) 0.0795(4) Uani 1 1 d .
C30 C 0.0833(7) 0.0023(7) 0.0184(8) 0.0520(19) Uani 0.50 1 d P
H30A H 0.1505 0.0568 0.0889 0.062 Uiso 0.50 1 calc PR
H30B H 0.1216 -0.0554 -0.0233 0.062 Uiso 0.50 1 calc PR
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'
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'
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
C16 Pd1 C12 87.50(9) . .
C16 Pd1 C26 156.73(10) . .
C12 Pd1 C26 115.26(9) . .
C16 Pd1 C27 116.64(10) . .
C12 Pd1 C27 154.87(10) . .
C26 Pd1 C27 40.18(9) . .
C28 O2 C29 108.80(19) . .
C12 N1 C10 111.6(2) . .
C12 N1 C6 122.3(2) . .
C10 N1 C6 125.9(2) . .
C12 N2 C11 112.0(2) . .
C12 N2 C13 123.4(2) . .
C11 N2 C13 124.5(2) . .
C16 N3 C14 112.2(2) . .
C16 N3 C13 123.4(2) . .
C14 N3 C13 124.3(2) . .
C16 N4 C15 111.4(2) . .
C16 N4 C17 124.0(2) . .
C15 N4 C17 124.5(2) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C9 C2 C3 118.6(2) . .
C9 C2 C1 120.3(3) . .
C3 C2 C1 121.2(2) . .
C2 C3 C4 121.9(2) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C3 C4 C6 117.4(2) . .
C3 C4 C5 121.2(2) . .
C6 C4 C5 121.4(2) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C4 122.7(2) . .
C7 C6 N1 118.1(2) . .
C4 C6 N1 119.1(2) . .
C9 C7 C6 117.8(2) . .
C9 C7 C8 121.5(2) . .
C6 C7 C8 120.7(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 C2 121.7(2) . .
C7 C9 H9 119.1 . .
C2 C9 H9 119.1 . .
C11 C10 N1 106.6(2) . .
C11 C10 H10 126.7 . .
N1 C10 H10 126.7 . .
C10 C11 N2 106.1(2) . .
C10 C11 H11 127.0 . .
N2 C11 H11 127.0 . .
N2 C12 N1 103.7(2) . .
N2 C12 Pd1 124.67(17) . .
N1 C12 Pd1 130.44(19) . .
N2 C13 N3 111.5(2) . .
N2 C13 H13A 109.3 . .
N3 C13 H13A 109.3 . .
N2 C13 H13B 109.3 . .
N3 C13 H13B 109.3 . .
H13A C13 H13B 108.0 . .
C15 C14 N3 105.8(2) . .
C15 C14 H14 127.1 . .
N3 C14 H14 127.1 . .
C14 C15 N4 107.3(2) . .
C14 C15 H15 126.3 . .
N4 C15 H15 126.3 . .
N4 C16 N3 103.3(2) . .
N4 C16 Pd1 131.62(18) . .
N3 C16 Pd1 124.90(17) . .
C24 C17 C18 121.8(2) . .
C24 C17 N4 119.4(2) . .
C18 C17 N4 118.8(2) . .
C20 C18 C17 117.8(2) . .
C20 C18 C19 120.6(2) . .
C17 C18 C19 121.6(2) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 C21 122.5(2) . .
C18 C20 H20 118.8 . .
C21 C20 H20 118.8 . .
C20 C21 C23 117.9(2) . .
C20 C21 C22 121.4(3) . .
C23 C21 C22 120.7(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C21 121.9(2) . .
C24 C23 H23 119.0 . .
C21 C23 H23 119.0 . .
C23 C24 C17 118.1(2) . .
C23 C24 C25 121.1(3) . .
C17 C24 C25 120.8(3) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 C29 106.9(2) . .
C27 C26 Pd1 70.43(14) . .
C29 C26 Pd1 105.96(16) . .
C27 C26 H26 127.6(16) . .
C29 C26 H26 117.3(15) . .
Pd1 C26 H26 118.6(16) . .
C28 C27 C26 107.0(2) . .
C28 C27 Pd1 106.21(18) . .
C26 C27 Pd1 69.38(14) . .
C28 C27 H27 121(2) . .
C26 C27 H27 125(2) . .
Pd1 C27 H27 116(2) . .
O3 C28 O2 117.8(2) . .
O3 C28 C27 133.2(3) . .
O2 C28 C27 109.0(2) . .
O1 C29 O2 118.1(2) . .
O1 C29 C26 133.8(2) . .
O2 C29 C26 108.1(2) . .
C30 Cl1 C30 63.2(4) . 2
Cl1 C30 Cl1 116.8(4) . 2
Cl1 C30 H30A 108.1 . .
Cl1 C30 H30A 108.1 2 .
Cl1 C30 H30B 108.1 . .
Cl1 C30 H30B 108.1 2 .
H30A C30 H30B 107.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C16 2.045(2) .
Pd1 C12 2.046(2) .
Pd1 C26 2.097(2) .
Pd1 C27 2.111(3) .
O1 C29 1.202(3) .
O2 C28 1.399(3) .
O2 C29 1.416(3) .
O3 C28 1.214(3) .
N1 C12 1.358(3) .
N1 C10 1.389(3) .
N1 C6 1.446(3) .
N2 C12 1.352(3) .
N2 C11 1.393(3) .
N2 C13 1.453(3) .
N3 C16 1.359(3) .
N3 C14 1.390(3) .
N3 C13 1.458(3) .
N4 C16 1.359(3) .
N4 C15 1.386(3) .
N4 C17 1.440(3) .
C1 C2 1.508(4) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C9 1.389(4) .
C2 C3 1.392(4) .
C3 C4 1.392(4) .
C3 H3 0.9500 .
C4 C6 1.395(4) .
C4 C5 1.504(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.390(4) .
C7 C9 1.389(4) .
C7 C8 1.513(4) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9 0.9500 .
C10 C11 1.348(4) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.341(4) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C17 C24 1.394(4) .
C17 C18 1.397(3) .
C18 C20 1.384(4) .
C18 C19 1.506(4) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.389(4) .
C20 H20 0.9500 .
C21 C23 1.392(4) .
C21 C22 1.507(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.388(4) .
C23 H23 0.9500 .
C24 C25 1.510(4) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.445(3) .
C26 C29 1.454(3) .
C26 H26 0.97(3) .
C27 C28 1.443(4) .
C27 H27 0.91(3) .
Cl1 C30 1.624(7) .
Cl1 C30 1.807(7) 2
C30 Cl1 1.807(7) 2
C30 H30A 0.9900 .
C30 H30B 0.9900 .
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
C9 C2 C3 C4 2.0(4) . .
C1 C2 C3 C4 -178.1(2) . .
C2 C3 C4 C6 -1.0(4) . .
C2 C3 C4 C5 178.5(2) . .
C3 C4 C6 C7 -0.8(4) . .
C5 C4 C6 C7 179.7(2) . .
C3 C4 C6 N1 175.0(2) . .
C5 C4 C6 N1 -4.5(3) . .
C12 N1 C6 C7 90.2(3) . .
C10 N1 C6 C7 -84.9(3) . .
C12 N1 C6 C4 -85.7(3) . .
C10 N1 C6 C4 99.2(3) . .
C4 C6 C7 C9 1.5(4) . .
N1 C6 C7 C9 -174.3(2) . .
C4 C6 C7 C8 -178.7(2) . .
N1 C6 C7 C8 5.6(4) . .
C6 C7 C9 C2 -0.5(4) . .
C8 C7 C9 C2 179.7(3) . .
C3 C2 C9 C7 -1.2(4) . .
C1 C2 C9 C7 178.9(2) . .
C12 N1 C10 C11 0.3(3) . .
C6 N1 C10 C11 175.9(2) . .
N1 C10 C11 N2 -0.1(3) . .
C12 N2 C11 C10 -0.2(3) . .
C13 N2 C11 C10 177.6(2) . .
C11 N2 C12 N1 0.4(3) . .
C13 N2 C12 N1 -177.4(2) . .
C11 N2 C12 Pd1 -168.17(17) . .
C13 N2 C12 Pd1 14.0(3) . .
C10 N1 C12 N2 -0.4(3) . .
C6 N1 C12 N2 -176.2(2) . .
C10 N1 C12 Pd1 167.17(18) . .
C6 N1 C12 Pd1 -8.5(3) . .
C16 Pd1 C12 N2 20.0(2) . .
C26 Pd1 C12 N2 -165.00(19) . .
C27 Pd1 C12 N2 -175.5(2) . .
C16 Pd1 C12 N1 -145.3(2) . .
C26 Pd1 C12 N1 29.7(3) . .
C27 Pd1 C12 N1 19.2(4) . .
C12 N2 C13 N3 -52.5(3) . .
C11 N2 C13 N3 130.0(2) . .
C16 N3 C13 N2 48.1(3) . .
C14 N3 C13 N2 -136.2(2) . .
C16 N3 C14 C15 -1.2(3) . .
C13 N3 C14 C15 -177.3(2) . .
N3 C14 C15 N4 0.3(3) . .
C16 N4 C15 C14 0.7(3) . .
C17 N4 C15 C14 178.4(2) . .
C15 N4 C16 N3 -1.3(3) . .
C17 N4 C16 N3 -179.0(2) . .
C15 N4 C16 Pd1 -176.75(18) . .
C17 N4 C16 Pd1 5.5(4) . .
C14 N3 C16 N4 1.5(3) . .
C13 N3 C16 N4 177.7(2) . .
C14 N3 C16 Pd1 177.35(17) . .
C13 N3 C16 Pd1 -6.5(3) . .
C12 Pd1 C16 N4 151.0(2) . .
C26 Pd1 C16 N4 -17.5(4) . .
C27 Pd1 C16 N4 -21.7(3) . .
C12 Pd1 C16 N3 -23.5(2) . .
C26 Pd1 C16 N3 168.0(2) . .
C27 Pd1 C16 N3 163.75(18) . .
C16 N4 C17 C24 -81.5(3) . .
C15 N4 C17 C24 101.1(3) . .
C16 N4 C17 C18 98.6(3) . .
C15 N4 C17 C18 -78.8(3) . .
C24 C17 C18 C20 -0.8(4) . .
N4 C17 C18 C20 179.1(2) . .
C24 C17 C18 C19 178.6(3) . .
N4 C17 C18 C19 -1.5(4) . .
C17 C18 C20 C21 -0.3(4) . .
C19 C18 C20 C21 -179.6(3) . .
C18 C20 C21 C23 1.0(4) . .
C18 C20 C21 C22 -178.6(3) . .
C20 C21 C23 C24 -0.7(4) . .
C22 C21 C23 C24 178.9(3) . .
C21 C23 C24 C17 -0.3(4) . .
C21 C23 C24 C25 -179.8(3) . .
C18 C17 C24 C23 1.1(4) . .
N4 C17 C24 C23 -178.8(2) . .
C18 C17 C24 C25 -179.5(3) . .
N4 C17 C24 C25 0.6(4) . .
C16 Pd1 C26 C27 -5.8(3) . .
C12 Pd1 C26 C27 -173.12(14) . .
C16 Pd1 C26 C29 -108.5(3) . .
C12 Pd1 C26 C29 84.25(18) . .
C27 Pd1 C26 C29 -102.6(2) . .
C29 C26 C27 C28 0.0(3) . .
Pd1 C26 C27 C28 -101.35(19) . .
C29 C26 C27 Pd1 101.37(18) . .
C16 Pd1 C27 C28 -80.11(19) . .
C12 Pd1 C27 C28 117.2(2) . .
C26 Pd1 C27 C28 102.5(2) . .
C16 Pd1 C27 C26 177.43(14) . .
C12 Pd1 C27 C26 14.8(3) . .
C29 O2 C28 O3 176.0(2) . .
C29 O2 C28 C27 -5.2(3) . .
C26 C27 C28 O3 -178.2(3) . .
Pd1 C27 C28 O3 108.9(3) . .
C26 C27 C28 O2 3.1(3) . .
Pd1 C27 C28 O2 -69.7(2) . .
C28 O2 C29 O1 -175.2(2) . .
C28 O2 C29 C26 5.1(3) . .
C27 C26 C29 O1 177.2(3) . .
Pd1 C26 C29 O1 -108.9(3) . .
C27 C26 C29 O2 -3.1(3) . .
Pd1 C26 C29 O2 70.8(2) . .
C30 Cl1 C30 Cl1 0.0 2 2
