#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:11:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178552 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/59/4065987.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_4065987
loop_
_publ_author_name
'Vázquez-García, Digna'
'Fernández, Alberto'
'López-Torres, Margarita'
'Rodríguez, Antonio'
'Gómez-Blanco, Nina'
'Viader, Carlos'
'Vila, José M.'
'Fernández, Jesús J.'
_publ_section_title
;
 Versatile Behavior of the Schiff Base Ligand
 2,5-Me2C6H3C(H)═N(2,4,6-Me3C6H2) toward Cyclometalation Reactions:
 C(sp2,phenyl)−H vs C(sp3,methyl)−H Activation
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3303
_journal_paper_doi               10.1021/om100238w
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C47 H58 Cl6 N2 O8 Pd3'
_chemical_formula_weight         1310.85
_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_date             2009-01-27T11:23:42-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                100.1330(10)
_cell_angle_beta                 112.8450(10)
_cell_angle_gamma                113.2680(10)
_cell_formula_units_Z            1
_cell_length_a                   12.0424(7)
_cell_length_b                   12.0854(7)
_cell_length_c                   12.3343(7)
_cell_measurement_reflns_used    8196
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.907
_cell_measurement_theta_min      4.352
_cell_volume                     1400.06(14)
_computing_cell_refinement
'XPREP Version 6.12 COPYRIGHT(c) 2001 Bruker-A'
_computing_data_collection       'SAINT V6.28A'
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 1k'
_diffrn_measurement_method       'omega phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18665
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.287
_exptl_absorpt_correction_T_max  0.8403
_exptl_absorpt_correction_T_min  0.7145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             658
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         6898
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0621P)²+1.0779P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1213
_reflns_number_gt                5258
_reflns_number_total             6898
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100238w_si_002.cif
_cod_data_source_block           0700340s
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065987
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 0.26864(3) 0.49971(3) 0.64522(2) 0.04686(10) Uani 1 1 d .
Pd2 Pd 0 0.5 0.5 0.05114(12) Uani 1 2 d S
N1 N 0.4444(3) 0.6748(3) 0.7508(3) 0.0477(6) Uani 1 1 d .
O1 O 0.2577(3) 0.5214(3) 0.4732(2) 0.0594(7) Uani 1 1 d .
O2 O 0.0960(3) 0.5793(3) 0.4100(3) 0.0654(7) Uani 1 1 d .
O3 O 0.1184(3) 0.3056(3) 0.5369(3) 0.0638(7) Uani 1 1 d .
O4 O 0.0566(3) 0.6805(3) 0.6044(3) 0.0637(7) Uani 1 1 d .
C6 C 0.3009(4) 0.5053(4) 0.8178(4) 0.0514(8) Uani 1 1 d .
C5 C 0.2174(4) 0.4153(4) 0.8517(4) 0.0633(10) Uani 1 1 d .
C4 C 0.2655(6) 0.4467(5) 0.9824(5) 0.0784(13) Uani 1 1 d .
H3 H 0.2113 0.389 1.0064 0.094 Uiso 1 1 calc R
C3 C 0.3881(6) 0.5578(5) 1.0771(5) 0.0790(13) Uani 1 1 d .
H4 H 0.4154 0.572 1.1623 0.095 Uiso 1 1 calc R
C2 C 0.4709(5) 0.6485(4) 1.0471(4) 0.0630(10) Uani 1 1 d .
C1 C 0.4238(4) 0.6201(4) 0.9159(3) 0.0516(8) Uani 1 1 d .
C7 C 0.4992(4) 0.7074(4) 0.8720(3) 0.0518(8) Uani 1 1 d .
H7 H 0.5842 0.7843 0.929 0.062 Uiso 1 1 calc R
C8 C 0.5178(4) 0.7529(4) 0.6985(3) 0.0508(8) Uani 1 1 d .
C9 C 0.5052(4) 0.8594(4) 0.6859(4) 0.0593(9) Uani 1 1 d .
C10 C 0.5787(5) 0.9321(5) 0.6354(5) 0.0780(13) Uani 1 1 d .
H10 H 0.5741 1.0057 0.628 0.094 Uiso 1 1 calc R
C11 C 0.6581(5) 0.8988(5) 0.5960(5) 0.0731(12) Uani 1 1 d .
C12 C 0.6659(4) 0.7902(5) 0.6093(4) 0.0700(11) Uani 1 1 d .
H12 H 0.7188 0.7664 0.5831 0.084 Uiso 1 1 calc R
C13 C 0.5963(4) 0.7158(4) 0.6610(4) 0.0556(9) Uani 1 1 d .
C14 C 0.0814(5) 0.2911(5) 0.7574(5) 0.0837(14) Uani 1 1 d .
H14A H 0.0371 0.2519 0.8015 0.126 Uiso 1 1 calc R
H14B H 0.0991 0.2317 0.714 0.126 Uiso 1 1 calc R
H14C H 0.0209 0.3103 0.6963 0.126 Uiso 1 1 calc R
C15 C 0.6030(6) 0.7715(5) 1.1499(4) 0.0864(15) Uani 1 1 d .
H15A H 0.5884 0.8442 1.1523 0.13 Uiso 1 1 calc R
H15B H 0.6774 0.7855 1.1323 0.13 Uiso 1 1 calc R
H15C H 0.6279 0.7635 1.2309 0.13 Uiso 1 1 calc R
C16 C 0.4123(6) 0.8934(5) 0.7217(6) 0.0841(14) Uani 1 1 d .
H16A H 0.316 0.8267 0.6637 0.126 Uiso 1 1 calc R
H16B H 0.4259 0.9758 0.7167 0.126 Uiso 1 1 calc R
H16C H 0.4363 0.8994 0.8072 0.126 Uiso 1 1 calc R
C17 C 0.7370(6) 0.9803(7) 0.5411(7) 0.113(2) Uani 1 1 d .
H17A H 0.7935 0.9482 0.5271 0.17 Uiso 1 1 calc R
H17B H 0.796 1.07 0.6002 0.17 Uiso 1 1 calc R
H17C H 0.671 0.9742 0.4616 0.17 Uiso 1 1 calc R
C18 C 0.6088(5) 0.6003(5) 0.6774(5) 0.0756(13) Uani 1 1 d .
H18A H 0.6613 0.6194 0.7668 0.113 Uiso 1 1 calc R
H18B H 0.6562 0.5823 0.6359 0.113 Uiso 1 1 calc R
H18C H 0.517 0.5254 0.6402 0.113 Uiso 1 1 calc R
C19 C 0.1986(4) 0.5712(4) 0.4111(4) 0.0567(9) Uani 1 1 d .
C20 C 0.2526(6) 0.6318(5) 0.3328(5) 0.0796(13) Uani 1 1 d .
H20A H 0.3532 0.6825 0.3813 0.119 Uiso 1 1 calc R
H20B H 0.2164 0.6875 0.3106 0.119 Uiso 1 1 calc R
H20C H 0.2229 0.5642 0.2562 0.119 Uiso 1 1 calc R
C21 C 0.0062(4) 0.2600(4) 0.4363(4) 0.0592(10) Uani 1 1 d .
C22 C -0.0637(5) 0.1188(4) 0.3512(5) 0.0865(15) Uani 1 1 d .
H22A H -0.024 0.1126 0.2979 0.13 Uiso 1 1 calc R
H22B H -0.1624 0.0845 0.2987 0.13 Uiso 1 1 calc R
H22C H -0.0492 0.0695 0.4029 0.13 Uiso 1 1 calc R
Cl2 Cl 0.0392(5) 0.6761(5) 0.9442(7) 0.378(4) Uani 1 1 d .
C1S C 0.1588(7) 0.6984(7) 0.9075(7) 0.124(2) Uani 1 1 d .
H1S1 H 0.1162 0.6716 0.8156 0.149 Uiso 1 1 calc R
H1S2 H 0.1949 0.6422 0.931 0.149 Uiso 1 1 calc R
Cl1 Cl 0.2977(3) 0.8576(3) 0.9794(3) 0.1834(11) Uani 1 1 d .
Cl3 Cl 0.9079(4) 0.9217(3) 0.0391(4) 0.1966(13) Uani 1 1 d .
C2S C 0.931(2) 0.991(2) -0.0550(19) 0.163(7) Uiso 0.5 1 d P
H2S1 H 0.8948 1.0491 -0.053 0.196 Uiso 0.5 1 calc PR
H2S2 H 0.8716 0.9229 -0.1404 0.196 Uiso 0.5 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 0 '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 0.006 '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'
Cl Cl 0.1484 0.1585 '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
C6 Pd1 N1 81.31(14) . .
C6 Pd1 O3 99.90(14) . .
N1 Pd1 O3 167.10(11) . .
C6 Pd1 O1 172.01(14) . .
N1 Pd1 O1 90.76(11) . .
O3 Pd1 O1 88.05(12) . .
C6 Pd1 Pd2 109.55(10) . .
N1 Pd1 Pd2 116.43(8) . .
O3 Pd1 Pd2 75.45(8) . .
O1 Pd1 Pd2 73.10(7) . .
O2 Pd2 O2 180.0000(10) . 2_566
O2 Pd2 O4 91.72(12) . 2_566
O2 Pd2 O4 88.28(12) 2_566 2_566
O2 Pd2 O4 88.28(12) . .
O2 Pd2 O4 91.71(12) 2_566 .
O4 Pd2 O4 180.00(10) 2_566 .
O2 Pd2 Pd1 82.28(8) . .
O2 Pd2 Pd1 97.72(8) 2_566 .
O4 Pd2 Pd1 79.95(8) 2_566 .
O4 Pd2 Pd1 100.05(8) . .
O2 Pd2 Pd1 97.72(8) . 2_566
O2 Pd2 Pd1 82.28(8) 2_566 2_566
O4 Pd2 Pd1 100.05(8) 2_566 2_566
O4 Pd2 Pd1 79.95(8) . 2_566
Pd1 Pd2 Pd1 180 . 2_566
C7 N1 C8 120.6(3) . .
C7 N1 Pd1 115.1(3) . .
C8 N1 Pd1 123.8(2) . .
C19 O1 Pd1 127.5(2) . .
C19 O2 Pd2 123.5(3) . .
C21 O3 Pd1 126.9(3) . .
C21 O4 Pd2 123.5(3) 2_566 .
C1 C6 C5 118.4(4) . .
C1 C6 Pd1 112.1(3) . .
C5 C6 Pd1 129.5(3) . .
C4 C5 C6 116.9(4) . .
C4 C5 C14 118.9(4) . .
C6 C5 C14 124.2(4) . .
C3 C4 C5 123.9(4) . .
C4 C3 C2 120.6(4) . .
C3 C2 C1 116.6(4) . .
C3 C2 C15 120.9(4) . .
C1 C2 C15 122.4(4) . .
C6 C1 C2 123.6(4) . .
C6 C1 C7 114.3(3) . .
C2 C1 C7 122.1(4) . .
N1 C7 C1 117.1(3) . .
C13 C8 C9 122.8(4) . .
C13 C8 N1 117.9(3) . .
C9 C8 N1 119.3(3) . .
C8 C9 C10 117.0(4) . .
C8 C9 C16 121.5(4) . .
C10 C9 C16 121.5(4) . .
C11 C10 C9 122.4(4) . .
C10 C11 C12 118.3(4) . .
C10 C11 C17 121.0(5) . .
C12 C11 C17 120.7(5) . .
C11 C12 C13 121.5(4) . .
C8 C13 C12 118.1(4) . .
C8 C13 C18 121.3(3) . .
C12 C13 C18 120.6(4) . .
O1 C19 O2 125.4(4) . .
O1 C19 C20 118.9(4) . .
O2 C19 C20 115.7(4) . .
O3 C21 O4 127.2(4) . 2_566
O3 C21 C22 117.2(4) . .
O4 C21 C22 115.6(4) 2_566 .
Cl2 C1S Cl1 114.7(4) . .
C2S Cl3 C2S 56.9(12) . 2_775
Cl3 C2S Cl3 123.1(12) . 2_775
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C6 1.993(4) .
Pd1 N1 2.001(3) .
Pd1 O3 2.057(3) .
Pd1 O1 2.144(3) .
Pd1 Pd2 3.0308(3) .
Pd2 O2 1.995(3) .
Pd2 O2 1.995(3) 2_566
Pd2 O4 2.010(3) 2_566
Pd2 O4 2.010(3) .
Pd2 Pd1 3.0308(3) 2_566
N1 C7 1.284(5) .
N1 C8 1.444(5) .
O1 C19 1.238(5) .
O2 C19 1.274(5) .
O3 C21 1.241(5) .
O4 C21 1.265(5) 2_566
C6 C1 1.405(5) .
C6 C5 1.412(5) .
C5 C4 1.401(6) .
C5 C14 1.501(6) .
C4 C3 1.375(7) .
C3 C2 1.377(7) .
C2 C1 1.413(5) .
C2 C15 1.500(7) .
C1 C7 1.434(5) .
C8 C13 1.382(5) .
C8 C9 1.382(5) .
C9 C10 1.397(6) .
C9 C16 1.515(6) .
C10 C11 1.381(7) .
C11 C12 1.386(7) .
C11 C17 1.525(7) .
C12 C13 1.392(6) .
C13 C18 1.502(6) .
C19 C20 1.501(6) .
C21 O4 1.265(5) 2_566
C21 C22 1.507(6) .
Cl2 C1S 1.611(8) .
C1S Cl1 1.729(8) .
Cl3 C2S 1.593(19) .
Cl3 C2S 1.71(2) 2_775
C2S Cl3 1.71(2) 2_775
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
C6 Pd1 Pd2 O2 154.01(15) . .
N1 Pd1 Pd2 O2 64.16(13) . .
O3 Pd1 Pd2 O2 -110.47(12) . .
O1 Pd1 Pd2 O2 -18.05(12) . .
C6 Pd1 Pd2 O2 -25.99(15) . 2_566
N1 Pd1 Pd2 O2 -115.84(13) . 2_566
O3 Pd1 Pd2 O2 69.53(12) . 2_566
O1 Pd1 Pd2 O2 161.95(12) . 2_566
C6 Pd1 Pd2 O4 -112.86(15) . 2_566
N1 Pd1 Pd2 O4 157.29(13) . 2_566
O3 Pd1 Pd2 O4 -17.33(13) . 2_566
O1 Pd1 Pd2 O4 75.08(12) . 2_566
C6 Pd1 Pd2 O4 67.14(15) . .
N1 Pd1 Pd2 O4 -22.71(13) . .
O3 Pd1 Pd2 O4 162.67(13) . .
O1 Pd1 Pd2 O4 -104.92(12) . .
C6 Pd1 Pd2 Pd1 -1E1(9) . 2_566
N1 Pd1 Pd2 Pd1 -10E1(9) . 2_566
O3 Pd1 Pd2 Pd1 9E1(9) . 2_566
O1 Pd1 Pd2 Pd1 -18E1(10) . 2_566
C6 Pd1 N1 C7 3.1(3) . .
O3 Pd1 N1 C7 -93.3(6) . .
O1 Pd1 N1 C7 -177.8(3) . .
Pd2 Pd1 N1 C7 110.7(2) . .
C6 Pd1 N1 C8 174.7(3) . .
O3 Pd1 N1 C8 78.3(6) . .
O1 Pd1 N1 C8 -6.3(3) . .
Pd2 Pd1 N1 C8 -77.7(3) . .
C6 Pd1 O1 C19 -82.6(9) . .
N1 Pd1 O1 C19 -89.5(3) . .
O3 Pd1 O1 C19 103.4(3) . .
Pd2 Pd1 O1 C19 28.0(3) . .
O2 Pd2 O2 C19 12E1(10) 2_566 .
O4 Pd2 O2 C19 -60.8(3) 2_566 .
O4 Pd2 O2 C19 119.2(3) . .
Pd1 Pd2 O2 C19 18.8(3) . .
Pd1 Pd2 O2 C19 -161.2(3) 2_566 .
C6 Pd1 O3 C21 132.0(3) . .
N1 Pd1 O3 C21 -133.7(5) . .
O1 Pd1 O3 C21 -48.8(3) . .
Pd2 Pd1 O3 C21 24.2(3) . .
O2 Pd2 O4 C21 78.7(3) . 2_566
O2 Pd2 O4 C21 -101.3(3) 2_566 2_566
O4 Pd2 O4 C21 -10E1(10) 2_566 2_566
Pd1 Pd2 O4 C21 160.5(3) . 2_566
Pd1 Pd2 O4 C21 -19.5(3) 2_566 2_566
N1 Pd1 C6 C1 -1.4(2) . .
O3 Pd1 C6 C1 165.6(2) . .
O1 Pd1 C6 C1 -8.4(10) . .
Pd2 Pd1 C6 C1 -116.4(2) . .
N1 Pd1 C6 C5 176.1(4) . .
O3 Pd1 C6 C5 -16.9(4) . .
O1 Pd1 C6 C5 169.1(7) . .
Pd2 Pd1 C6 C5 61.0(4) . .
C1 C6 C5 C4 -1.2(6) . .
Pd1 C6 C5 C4 -178.5(3) . .
C1 C6 C5 C14 177.9(4) . .
Pd1 C6 C5 C14 0.5(6) . .
C6 C5 C4 C3 -0.7(7) . .
C14 C5 C4 C3 -179.8(5) . .
C5 C4 C3 C2 1.6(8) . .
C4 C3 C2 C1 -0.6(7) . .
C4 C3 C2 C15 178.5(5) . .
C5 C6 C1 C2 2.2(6) . .
Pd1 C6 C1 C2 180.0(3) . .
C5 C6 C1 C7 -178.1(3) . .
Pd1 C6 C1 C7 -0.3(4) . .
C3 C2 C1 C6 -1.3(6) . .
C15 C2 C1 C6 179.6(4) . .
C3 C2 C1 C7 179.0(4) . .
C15 C2 C1 C7 -0.1(6) . .
C8 N1 C7 C1 -176.0(3) . .
Pd1 N1 C7 C1 -4.2(4) . .
C6 C1 C7 N1 3.0(5) . .
C2 C1 C7 N1 -177.3(3) . .
C7 N1 C8 C13 95.7(4) . .
Pd1 N1 C8 C13 -75.5(4) . .
C7 N1 C8 C9 -85.5(4) . .
Pd1 N1 C8 C9 103.4(4) . .
C13 C8 C9 C10 -1.5(6) . .
N1 C8 C9 C10 179.7(4) . .
C13 C8 C9 C16 176.8(4) . .
N1 C8 C9 C16 -2.0(6) . .
C8 C9 C10 C11 1.7(7) . .
C16 C9 C10 C11 -176.6(5) . .
C9 C10 C11 C12 -1.0(7) . .
C9 C10 C11 C17 179.9(5) . .
C10 C11 C12 C13 -0.1(7) . .
C17 C11 C12 C13 179.0(5) . .
C9 C8 C13 C12 0.5(6) . .
N1 C8 C13 C12 179.3(3) . .
C9 C8 C13 C18 179.4(4) . .
N1 C8 C13 C18 -1.9(6) . .
C11 C12 C13 C8 0.3(6) . .
C11 C12 C13 C18 -178.5(4) . .
Pd1 O1 C19 O2 -25.2(6) . .
Pd1 O1 C19 C20 152.7(3) . .
Pd2 O2 C19 O1 -4.8(6) . .
Pd2 O2 C19 C20 177.3(3) . .
Pd1 O3 C21 O4 -19.2(6) . 2_566
Pd1 O3 C21 C22 160.0(3) . .
C2S Cl3 C2S Cl3 0.0000(10) 2_775 2_775
