#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:43:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178531 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/36/4063676.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_4063676
loop_
_publ_author_name
'Fernández, Alberto'
'López-Torres, Margarita'
'Castro-Juiz, Samuel'
'Merino, Manuel'
'Vázquez-García, Digna'
'Vila, José M.'
'Fernández, Jesús J.'
_publ_section_title
;
 Dimetalated Crown Ether Schiff Base Palladacycles. Influence of the
 Carbon Chain Length on the Coordination Mode of Bidentate Phosphines.
 Crystal and Molecular Structure of the Novel Complex
 [Pd2{1,4-[C(H)═N{9,10-(C8H16O5)C6H3}]2C6H2-C2,C5}(Cl)2{μ-Ph2P(CH2)5PPh2}2]
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              386
_journal_paper_doi               10.1021/om100833w
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C74 H74 Cl8 N2 O10 P2 Pd2'
_chemical_formula_weight         1709.69
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.3840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.5712(2)
_cell_length_b                   15.85180(10)
_cell_length_c                   17.1185(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3681.82(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart 1k'
_diffrn_measurement_method       'omega-phi 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  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24884
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.8434
_exptl_absorpt_correction_T_min  0.7779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.547
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         9075
_refine_ls_number_restraints     357
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0702
_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)+(0.0859P)²+13.7129P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1760
_refine_ls_wR_factor_ref         0.2059
_reflns_number_gt                5716
_reflns_number_total             9075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100833w_si_001.cif
_cod_data_source_block           5a
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4063676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pd1 Pd 0.20717(3) 0.37645(3) 0.08237(3) 0.03168(14) Uani 1 1 d U
P1 P 0.13086(11) 0.25554(10) 0.09504(9) 0.0337(3) Uani 1 1 d U
N1 N 0.2639(3) 0.4959(3) 0.0615(3) 0.0343(11) Uani 1 1 d U
O1 O 0.6515(3) 0.6016(4) 0.1416(3) 0.0582(14) Uani 1 1 d U
O2 O 0.7944(5) 0.7142(6) 0.2217(5) 0.123(3) Uani 1 1 d U
O3 O 0.8545(7) 0.6693(7) 0.3926(6) 0.138(3) Uani 1 1 d U
O4 O 0.6906(5) 0.5894(5) 0.4121(4) 0.091(2) Uani 1 1 d U
O5 O 0.6023(3) 0.5281(3) 0.2541(3) 0.0491(12) Uani 1 1 d U
Cl1 Cl 0.36524(11) 0.31493(11) 0.13130(10) 0.0461(4) Uani 1 1 d U
C1 C 0.0805(4) 0.4409(4) 0.0382(4) 0.0332(12) Uani 1 1 d U
C2 C -0.0157(4) 0.4224(4) 0.0294(4) 0.0368(13) Uani 1 1 d U
H2 H -0.0290 0.3708 0.0488 0.044 Uiso 1 1 calc R
C3 C 0.0937(4) 0.5213(4) 0.0078(4) 0.0354(13) Uani 1 1 d U
C4 C 0.1937(4) 0.5463(4) 0.0225(4) 0.0374(13) Uani 1 1 d U
H4 H 0.2070 0.5984 0.0040 0.045 Uiso 1 1 calc R
C5 C 0.3627(4) 0.5232(4) 0.0782(4) 0.0359(13) Uani 1 1 d U
C6 C 0.3882(4) 0.5639(4) 0.0183(4) 0.0407(14) Uani 1 1 d U
H6 H 0.3412 0.5727 -0.0350 0.049 Uiso 1 1 calc R
C7 C 0.4849(5) 0.5920(4) 0.0374(4) 0.0416(14) Uani 1 1 d U
H7 H 0.5022 0.6198 -0.0031 0.050 Uiso 1 1 calc R
C8 C 0.5549(4) 0.5787(4) 0.1165(4) 0.0422(15) Uani 1 1 d U
C9 C 0.5282(4) 0.5373(4) 0.1780(4) 0.0408(14) Uani 1 1 d U
C10 C 0.4327(4) 0.5094(4) 0.1585(4) 0.0387(14) Uani 1 1 d U
H10 H 0.4149 0.4815 0.1986 0.046 Uiso 1 1 calc R
C11 C 0.6770(5) 0.6637(6) 0.0932(5) 0.0558(19) Uani 1 1 d U
H11A H 0.6362 0.7135 0.0868 0.067 Uiso 1 1 calc R
H11B H 0.6680 0.6419 0.0380 0.067 Uiso 1 1 calc R
C12 C 0.7834(6) 0.6847(8) 0.1405(5) 0.083(3) Uani 1 1 d U
H12A H 0.8237 0.6349 0.1451 0.100 Uiso 1 1 calc R
H12B H 0.8048 0.7277 0.1107 0.100 Uiso 1 1 calc R
C13 C 0.8953(9) 0.7206(10) 0.2781(7) 0.134(5) Uani 1 1 d U
H13A H 0.9260 0.7680 0.2614 0.160 Uiso 1 1 calc R
H13B H 0.9303 0.6699 0.2734 0.160 Uiso 1 1 calc R
C14 C 0.9057(12) 0.7319(9) 0.3674(7) 0.144(5) Uani 1 1 d U
H14A H 0.9749 0.7298 0.4028 0.173 Uiso 1 1 calc R
H14B H 0.8805 0.7869 0.3743 0.173 Uiso 1 1 calc R
C15 C 0.8152(8) 0.6939(8) 0.4528(6) 0.101(4) Uani 1 1 d U
H15A H 0.7596 0.7317 0.4292 0.122 Uiso 1 1 calc R
H15B H 0.8646 0.7205 0.5008 0.122 Uiso 1 1 calc R
C16 C 0.7831(9) 0.6071(9) 0.4758(7) 0.109(4) Uani 1 1 d U
H16A H 0.8309 0.5640 0.4773 0.131 Uiso 1 1 calc R
H16B H 0.7768 0.6096 0.5303 0.131 Uiso 1 1 calc R
C17 C 0.6649(5) 0.5026(6) 0.3985(5) 0.0605(19) Uani 1 1 d U
H17A H 0.6503 0.4802 0.4455 0.073 Uiso 1 1 calc R
H17B H 0.7192 0.4707 0.3934 0.073 Uiso 1 1 calc R
C18 C 0.5760(5) 0.4955(5) 0.3193(4) 0.0478(16) Uani 1 1 d U
H18A H 0.5560 0.4370 0.3083 0.057 Uiso 1 1 calc R
H18B H 0.5215 0.5274 0.3243 0.057 Uiso 1 1 calc R
C19 C 0.2111(5) 0.1643(4) 0.1363(4) 0.0435(15) Uani 1 1 d U
C20 C 0.2672(6) 0.1351(5) 0.0907(5) 0.059(2) Uani 1 1 d U
H20 H 0.2599 0.1598 0.0395 0.071 Uiso 1 1 calc R
C21 C 0.3324(6) 0.0707(6) 0.1209(7) 0.077(3) Uani 1 1 d U
H21 H 0.3712 0.0520 0.0916 0.092 Uiso 1 1 calc R
C22 C 0.3397(7) 0.0327(6) 0.1977(7) 0.092(4) Uani 1 1 d U
H22 H 0.3845 -0.0108 0.2193 0.110 Uiso 1 1 calc R
C23 C 0.2829(7) 0.0586(6) 0.2402(6) 0.077(3) Uani 1 1 d U
H23 H 0.2865 0.0313 0.2894 0.093 Uiso 1 1 calc R
C24 C 0.2202(6) 0.1250(5) 0.2106(5) 0.060(2) Uani 1 1 d U
H24 H 0.1829 0.1441 0.2411 0.072 Uiso 1 1 calc R
C25 C 0.0691(5) 0.2654(4) 0.1699(4) 0.0405(14) Uani 1 1 d U
C26 C 0.1210(7) 0.3061(6) 0.2434(5) 0.066(2) Uani 1 1 d U
H26 H 0.1808 0.3320 0.2503 0.080 Uiso 1 1 calc R
C27 C 0.0835(9) 0.3085(7) 0.3082(6) 0.093(4) Uani 1 1 d U
H27 H 0.1190 0.3354 0.3585 0.112 Uiso 1 1 calc R
C28 C -0.0031(7) 0.2723(6) 0.2978(6) 0.070(2) Uani 1 1 d U
H28 H -0.0267 0.2737 0.3414 0.084 Uiso 1 1 calc R
C29 C -0.0568(6) 0.2336(5) 0.2250(5) 0.0563(19) Uani 1 1 d U
H29 H -0.1173 0.2093 0.2183 0.068 Uiso 1 1 calc R
C30 C -0.0206(5) 0.2305(4) 0.1605(4) 0.0460(15) Uani 1 1 d U
H30 H -0.0576 0.2043 0.1102 0.055 Uiso 1 1 calc R
C31 C 0.0401(4) 0.2130(4) -0.0018(4) 0.0360(13) Uani 1 1 d U
C32 C 0.0002(5) 0.1340(4) -0.0026(4) 0.0452(15) Uani 1 1 d U
H32 H 0.0211 0.1018 0.0462 0.054 Uiso 1 1 calc R
C33 C -0.0715(5) 0.1011(5) -0.0759(4) 0.0488(17) Uani 1 1 d U
H33 H -0.0994 0.0484 -0.0755 0.059 Uiso 1 1 calc R
C34 C -0.0989(5) 0.1474(5) -0.1467(4) 0.0506(18) Uani 1 1 d U
H34 H -0.1459 0.1258 -0.1954 0.061 Uiso 1 1 calc R
C35 C -0.0594(5) 0.2262(5) -0.1494(4) 0.0504(17) Uani 1 1 d U
H35 H -0.0790 0.2567 -0.1993 0.060 Uiso 1 1 calc R
C36 C 0.0102(4) 0.2591(4) -0.0766(4) 0.0414(14) Uani 1 1 d U
H36 H 0.0370 0.3121 -0.0776 0.050 Uiso 1 1 calc R
C1S C 0.8344(9) 0.4715(8) 0.2726(8) 0.104(4) Uani 1 1 d U
H1S H 0.7918 0.5208 0.2671 0.125 Uiso 1 1 calc R
Cl1S Cl 0.9246(3) 0.4699(4) 0.3706(3) 0.1664(19) Uani 1 1 d U
Cl2S Cl 0.8856(3) 0.4738(3) 0.1945(3) 0.1329(13) Uani 1 1 d U
Cl3S Cl 0.7647(3) 0.3782(3) 0.2604(3) 0.1498(16) Uani 1 1 d U
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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 Pd1 N1 81.1(2) . .
C1 Pd1 P1 92.90(17) . .
N1 Pd1 P1 173.71(13) . .
C1 Pd1 Cl1 173.28(17) . .
N1 Pd1 Cl1 92.20(13) . .
P1 Pd1 Cl1 93.79(6) . .
C25 P1 C31 106.8(3) . .
C25 P1 C19 101.9(3) . .
C31 P1 C19 102.0(3) . .
C25 P1 Pd1 112.4(2) . .
C31 P1 Pd1 116.3(2) . .
C19 P1 Pd1 116.0(2) . .
C4 N1 C5 118.1(5) . .
C4 N1 Pd1 110.8(4) . .
C5 N1 Pd1 130.9(4) . .
C8 O1 C11 117.4(6) . .
C12 O2 C13 113.8(8) . .
C14 O3 C15 115.8(11) . .
C16 O4 C17 115.9(8) . .
C9 O5 C18 116.7(5) . .
C2 C1 C3 114.7(5) . .
C2 C1 Pd1 133.7(5) . .
C3 C1 Pd1 111.6(4) . .
C1 C2 C3 122.4(6) . 3_565
C2 C3 C1 122.9(5) 3_565 .
C2 C3 C4 120.4(5) 3_565 .
C1 C3 C4 116.6(5) . .
N1 C4 C3 119.0(5) . .
C6 C5 C10 120.7(5) . .
C6 C5 N1 121.4(5) . .
C10 C5 N1 118.0(5) . .
C5 C6 C7 119.9(6) . .
C8 C7 C6 120.1(6) . .
O1 C8 C7 125.2(6) . .
O1 C8 C9 115.0(6) . .
C7 C8 C9 119.8(6) . .
O5 C9 C10 125.0(6) . .
O5 C9 C8 115.2(5) . .
C10 C9 C8 119.8(6) . .
C9 C10 C5 119.8(6) . .
O1 C11 C12 106.1(6) . .
O2 C12 C11 109.1(7) . .
O2 C13 C14 113.2(10) . .
O3 C14 C13 111.4(9) . .
O3 C15 C16 100.5(10) . .
O4 C16 C15 105.7(9) . .
O4 C17 C18 108.0(7) . .
O5 C18 C17 107.2(5) . .
C24 C19 C20 119.1(7) . .
C24 C19 P1 123.1(6) . .
C20 C19 P1 117.8(5) . .
C21 C20 C19 120.4(9) . .
C20 C21 C22 118.5(9) . .
C23 C22 C21 121.3(8) . .
C22 C23 C24 119.5(9) . .
C23 C24 C19 121.2(9) . .
C26 C25 C30 118.7(7) . .
C26 C25 P1 115.9(6) . .
C30 C25 P1 125.2(5) . .
C25 C26 C27 119.6(8) . .
C28 C27 C26 120.2(8) . .
C27 C28 C29 121.2(8) . .
C28 C29 C30 119.3(7) . .
C25 C30 C29 120.9(7) . .
C32 C31 C36 118.4(6) . .
C32 C31 P1 120.4(5) . .
C36 C31 P1 121.2(5) . .
C31 C32 C33 121.2(6) . .
C34 C33 C32 118.7(7) . .
C33 C34 C35 122.1(7) . .
C34 C35 C36 119.0(7) . .
C35 C36 C31 120.5(6) . .
Cl1S C1S Cl2S 111.0(7) . .
Cl1S C1S Cl3S 107.9(7) . .
Cl2S C1S Cl3S 108.2(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 2.001(6) .
Pd1 N1 2.147(5) .
Pd1 P1 2.2656(16) .
Pd1 Cl1 2.3560(15) .
P1 C25 1.821(7) .
P1 C31 1.831(6) .
P1 C19 1.832(7) .
N1 C4 1.277(7) .
N1 C5 1.430(7) .
O1 C8 1.364(7) .
O1 C11 1.420(9) .
O2 C12 1.419(11) .
O2 C13 1.439(13) .
O3 C14 1.401(13) .
O3 C15 1.404(13) .
O4 C16 1.418(11) .
O4 C17 1.422(11) .
O5 C9 1.363(7) .
O5 C18 1.405(8) .
C1 C2 1.386(8) .
C1 C3 1.417(8) .
C2 C3 1.402(8) 3_565
C3 C2 1.402(8) 3_565
C3 C4 1.441(8) .
C5 C6 1.371(9) .
C5 C10 1.399(8) .
C6 C7 1.398(9) .
C7 C8 1.381(9) .
C8 C9 1.410(9) .
C9 C10 1.380(8) .
C11 C12 1.501(10) .
C13 C14 1.490(14) .
C15 C16 1.550(16) .
C17 C18 1.500(9) .
C19 C24 1.378(10) .
C19 C20 1.399(11) .
C20 C21 1.362(11) .
C21 C22 1.414(15) .
C22 C23 1.349(15) .
C23 C24 1.365(11) .
C25 C26 1.371(10) .
C25 C30 1.373(9) .
C26 C27 1.405(11) .
C27 C28 1.338(13) .
C28 C29 1.353(12) .
C29 C30 1.388(10) .
C31 C32 1.379(9) .
C31 C36 1.399(9) .
C32 C33 1.409(9) .
C33 C34 1.347(10) .
C34 C35 1.383(11) .
C35 C36 1.390(9) .
C1S Cl1S 1.712(13) .
C1S Cl2S 1.754(12) .
C1S Cl3S 1.764(13) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C1S H1S O5 0.98 2.69 3.400(12) 129.5
C1S H1S O1 0.98 2.69 3.468(14) 136.7
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
C1 Pd1 P1 C25 -62.8(3) . .
N1 Pd1 P1 C25 -80.0(13) . .
Cl1 Pd1 P1 C25 117.8(2) . .
C1 Pd1 P1 C31 60.7(3) . .
N1 Pd1 P1 C31 43.5(13) . .
Cl1 Pd1 P1 C31 -118.7(2) . .
C1 Pd1 P1 C19 -179.5(3) . .
N1 Pd1 P1 C19 163.4(13) . .
Cl1 Pd1 P1 C19 1.1(3) . .
C1 Pd1 N1 C4 -8.2(4) . .
P1 Pd1 N1 C4 9.2(16) . .
Cl1 Pd1 N1 C4 171.4(4) . .
C1 Pd1 N1 C5 176.9(5) . .
P1 Pd1 N1 C5 -165.7(10) . .
Cl1 Pd1 N1 C5 -3.4(5) . .
N1 Pd1 C1 C2 -174.2(6) . .
P1 Pd1 C1 C2 7.7(6) . .
Cl1 Pd1 C1 C2 -177.5(11) . .
N1 Pd1 C1 C3 7.9(4) . .
P1 Pd1 C1 C3 -170.2(4) . .
Cl1 Pd1 C1 C3 4.6(18) . .
C3 C1 C2 C3 0.8(10) . 3_565
Pd1 C1 C2 C3 -177.0(5) . 3_565
C2 C1 C3 C2 -0.8(10) . 3_565
Pd1 C1 C3 C2 177.5(5) . 3_565
C2 C1 C3 C4 174.5(5) . .
Pd1 C1 C3 C4 -7.1(7) . .
C5 N1 C4 C3 -177.7(5) . .
Pd1 N1 C4 C3 6.7(7) . .
C2 C3 C4 N1 175.4(6) 3_565 .
C1 C3 C4 N1 0.0(9) . .
C4 N1 C5 C6 -43.6(8) . .
Pd1 N1 C5 C6 131.0(6) . .
C4 N1 C5 C10 134.7(6) . .
Pd1 N1 C5 C10 -50.7(8) . .
C10 C5 C6 C7 -0.1(10) . .
N1 C5 C6 C7 178.1(6) . .
C5 C6 C7 C8 0.3(10) . .
C11 O1 C8 C7 18.8(10) . .
C11 O1 C8 C9 -162.0(6) . .
C6 C7 C8 O1 178.5(6) . .
C6 C7 C8 C9 -0.6(10) . .
C18 O5 C9 C10 -6.9(10) . .
C18 O5 C9 C8 173.3(6) . .
O1 C8 C9 O5 1.5(9) . .
C7 C8 C9 O5 -179.3(6) . .
O1 C8 C9 C10 -178.4(6) . .
C7 C8 C9 C10 0.8(10) . .
O5 C9 C10 C5 179.4(6) . .
C8 C9 C10 C5 -0.7(10) . .
C6 C5 C10 C9 0.4(10) . .
N1 C5 C10 C9 -177.9(6) . .
C8 O1 C11 C12 172.9(7) . .
C13 O2 C12 C11 168.5(10) . .
O1 C11 C12 O2 -58.6(11) . .
C12 O2 C13 C14 -166.5(12) . .
C15 O3 C14 C13 -148.0(13) . .
O2 C13 C14 O3 53(2) . .
C14 O3 C15 C16 -170.1(11) . .
C17 O4 C16 C15 155.0(9) . .
O3 C15 C16 O4 -81.4(12) . .
C16 O4 C17 C18 -169.2(8) . .
C9 O5 C18 C17 -172.1(6) . .
O4 C17 C18 O5 60.4(8) . .
C25 P1 C19 C24 -5.0(7) . .
C31 P1 C19 C24 -115.3(6) . .
Pd1 P1 C19 C24 117.4(6) . .
C25 P1 C19 C20 176.6(5) . .
C31 P1 C19 C20 66.3(6) . .
Pd1 P1 C19 C20 -61.1(6) . .
C24 C19 C20 C21 -2.3(11) . .
P1 C19 C20 C21 176.2(6) . .
C19 C20 C21 C22 1.8(13) . .
C20 C21 C22 C23 0.8(15) . .
C21 C22 C23 C24 -2.9(15) . .
C22 C23 C24 C19 2.4(14) . .
C20 C19 C24 C23 0.2(11) . .
P1 C19 C24 C23 -178.2(7) . .
C31 P1 C25 C26 -172.2(6) . .
C19 P1 C25 C26 81.2(6) . .
Pd1 P1 C25 C26 -43.6(6) . .
C31 P1 C25 C30 12.7(7) . .
C19 P1 C25 C30 -93.9(6) . .
Pd1 P1 C25 C30 141.3(5) . .
C30 C25 C26 C27 2.3(13) . .
P1 C25 C26 C27 -173.1(8) . .
C25 C26 C27 C28 -0.9(16) . .
C26 C27 C28 C29 -0.8(17) . .
C27 C28 C29 C30 1.0(14) . .
C26 C25 C30 C29 -2.2(11) . .
P1 C25 C30 C29 172.8(5) . .
C28 C29 C30 C25 0.5(11) . .
C25 P1 C31 C32 -62.9(6) . .
C19 P1 C31 C32 43.6(6) . .
Pd1 P1 C31 C32 170.8(5) . .
C25 P1 C31 C36 117.7(5) . .
C19 P1 C31 C36 -135.8(5) . .
Pd1 P1 C31 C36 -8.7(6) . .
C36 C31 C32 C33 -2.2(10) . .
P1 C31 C32 C33 178.4(5) . .
C31 C32 C33 C34 1.9(10) . .
C32 C33 C34 C35 -0.4(11) . .
C33 C34 C35 C36 -0.7(11) . .
C34 C35 C36 C31 0.4(10) . .
C32 C31 C36 C35 1.1(9) . .
P1 C31 C36 C35 -179.5(5) . .
