#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:21:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010821.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_7010821
loop_
_publ_author_name
'Slawin, Alexandra M. Z.'
'Wainwright, Matthew'
'Woollins, J. Derek'
_publ_section_title
;
 The preparation and coordination chemistry of phosphorus(iii)
 derivatives of dialkyl ureas and thioureas
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2724
_journal_paper_doi               10.1039/b104122n
_journal_year                    2001
_chemical_formula_analytical     'C59 H62 Cl2 N4 O4 P4 Pd2'
_chemical_formula_moiety         'C58 H60 N4 O4 P4 Pd2.C H2 Cl2'
_chemical_formula_structural     'C59 H62 Cl2 N4 O4 P4 Pd2'
_chemical_formula_sum            'C59 H62 Cl2 N4 O4 P4 Pd2'
_chemical_formula_weight         1298.71
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.3620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4350(2)
_cell_length_b                   18.7436(3)
_cell_length_c                   15.69190(10)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      168
_cell_measurement_theta_min      12
_cell_volume                     3060.28(8)
_computing_cell_refinement       SMART/SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       CCD
_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  0.0821
_diffrn_reflns_av_sigmaI/netI    0.2357
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6700
_diffrn_reflns_theta_max         23.92
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.174335
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_description       prism
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         1.707
_refine_diff_density_min         -3.409
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       0.0000(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.891
_refine_ls_goodness_of_fit_obs   1.153
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         4420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_restrained_S_obs      1.153
_refine_ls_R_factor_all          0.2169
_refine_ls_R_factor_obs          0.1033
_refine_ls_shift/esd_max         -2.110
_refine_ls_shift/esd_mean        0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w=1/[\s^2^(Fo^2^)+(0.1687P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.3540
_refine_ls_wR_factor_obs         0.2379
_reflns_number_observed          1785
_reflns_number_total             4475
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b104122n.txt
_cod_data_source_block           12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7010821
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pd1 Pd 0.01173(12) 0.93530(6) 0.38812(7) 0.0477(5) Uani 1 d . .
O1 O -0.0865(8) 0.9699(5) 0.5657(5) 0.038(2) Uani 1 d . .
P1 P -0.0168(4) 0.9120(2) 0.5241(2) 0.0463(12) Uani 1 d . .
C1 C -0.0951(16) 0.8331(9) 0.5565(9) 0.052(5) Uani 1 d . .
C2 C -0.2274(16) 0.8339(10) 0.5556(11) 0.065(5) Uani 1 d . .
H2A H -0.2715(16) 0.8761(10) 0.5429(11) 0.078 Uiso 1 calc R .
C3 C -0.2947(22) 0.7743(11) 0.5727(15) 0.102(8) Uani 1 d . .
H3A H -0.3840(22) 0.7740(11) 0.5673(15) 0.122 Uiso 1 calc R .
C4 C -0.2250(22) 0.7130(11) 0.5990(11) 0.078(6) Uani 1 d . .
H4A H -0.2683(22) 0.6718(11) 0.6131(11) 0.093 Uiso 1 calc R .
C5 C -0.0948(22) 0.7139(10) 0.6038(11) 0.073(6) Uani 1 d . .
H5A H -0.0485(22) 0.6736(10) 0.6224(11) 0.088 Uiso 1 calc R .
C6 C -0.0314(18) 0.7748(10) 0.5811(11) 0.063(5) Uani 1 d . .
H6A H 0.0579(18) 0.7748(10) 0.5832(11) 0.075 Uiso 1 calc R .
C7 C 0.1444(13) 0.9015(8) 0.5766(10) 0.043(4) Uani 1 d . .
C8 C 0.1716(19) 0.9132(11) 0.6655(13) 0.077(6) Uani 1 d . .
H8A H 0.1038(19) 0.9240(11) 0.6984(13) 0.092 Uiso 1 calc R .
C9 C 0.2878(24) 0.9096(11) 0.7033(15) 0.084(6) Uani 1 d . .
H9A H 0.3009(24) 0.9208(11) 0.7611(15) 0.101 Uiso 1 calc R .
C10 C 0.3862(25) 0.8904(15) 0.6608(19) 0.113(9) Uani 1 d . .
H10A H 0.4666(25) 0.8838(15) 0.6896(19) 0.135 Uiso 1 calc R .
C11 C 0.3708(18) 0.8802(13) 0.5769(17) 0.095(7) Uani 1 d . .
H11A H 0.4416(18) 0.8698(13) 0.5465(17) 0.114 Uiso 1 calc R .
C12 C 0.2428(19) 0.8855(12) 0.5317(13) 0.092(7) Uani 1 d . .
H12A H 0.2311(19) 0.8777(12) 0.4731(13) 0.111 Uiso 1 calc R .
N21 N 0.0460(10) 0.9589(8) 0.2683(7) 0.043(4) Uani 1 d . .
C21 C 0.0212(20) 0.9198(10) 0.2079(12) 0.073(7) Uani 1 d . .
O21 O 0.0333(14) 0.9260(6) 0.1273(7) 0.086(4) Uani 1 d . .
N22 N -0.0625(12) 0.8612(7) 0.2226(7) 0.048(3) Uani 1 d . .
P2 P -0.0747(4) 0.8432(2) 0.3240(2) 0.0499(12) Uani 1 d . .
C23 C -0.2462(18) 0.8303(10) 0.3317(10) 0.063(5) Uani 1 d . .
C24 C -0.3122(18) 0.8904(9) 0.3535(11) 0.068(5) Uani 1 d . .
H24A H -0.2696(18) 0.9331(9) 0.3660(11) 0.081 Uiso 1 calc R .
C25 C -0.4460(19) 0.8851(13) 0.3562(14) 0.088(7) Uani 1 d . .
H25A H -0.4925(19) 0.9250(13) 0.3708(14) 0.106 Uiso 1 calc R .
C26 C -0.5078(20) 0.8243(17) 0.3382(14) 0.099(8) Uani 1 d . .
H26A H -0.5962(20) 0.8213(17) 0.3419(14) 0.119 Uiso 1 calc R .
C27 C -0.4424(20) 0.7680(14) 0.3151(14) 0.089(7) Uani 1 d . .
H27A H -0.4862(20) 0.7259(14) 0.3009(14) 0.107 Uiso 1 calc R .
C28 C -0.3129(19) 0.7701(11) 0.3118(12) 0.072(6) Uani 1 d . .
H28A H -0.2695(19) 0.7295(11) 0.2956(12) 0.086 Uiso 1 calc R .
C29 C 0.0045(16) 0.7623(9) 0.3401(10) 0.058(5) Uani 1 d . .
C30 C -0.0324(19) 0.7081(11) 0.3888(12) 0.076(6) Uani 1 d . .
H30A H -0.1092(19) 0.7123(11) 0.4148(12) 0.091 Uiso 1 calc R .
C31 C 0.0384(20) 0.6471(11) 0.4017(13) 0.080(6) Uani 1 d . .
H31A H 0.0084(20) 0.6101(11) 0.4342(13) 0.097 Uiso 1 calc R .
C32 C 0.1519(21) 0.6413(11) 0.3669(13) 0.088(7) Uani 1 d . .
H32A H 0.2023(21) 0.6008(11) 0.3765(13) 0.106 Uiso 1 calc R .
C33 C 0.1920(20) 0.6950(12) 0.3177(14) 0.092(8) Uani 1 d . .
H33A H 0.2701(20) 0.6910(12) 0.2931(14) 0.110 Uiso 1 calc R .
C34 C 0.1227(17) 0.7519(11) 0.3045(11) 0.072(6) Uani 1 d . .
H34A H 0.1525(17) 0.7875(11) 0.2698(11) 0.087 Uiso 1 calc R .
C35 C 0.1447(15) 1.0127(9) 0.2558(11) 0.058(5) Uani 1 d . .
H35A H 0.1360(15) 1.0268(9) 0.1961(11) 0.069 Uiso 1 calc R .
H35B H 0.1251(15) 1.0543(9) 0.2891(11) 0.069 Uiso 1 calc R .
C36 C 0.2729(19) 0.9955(12) 0.2761(13) 0.097(7) Uani 1 d . .
H36A H 0.3260(19) 1.0357(12) 0.2647(13) 0.146 Uiso 1 calc R .
H36B H 0.2962(19) 0.9556(12) 0.2420(13) 0.146 Uiso 1 calc R .
H36C H 0.2852(19) 0.9832(12) 0.3355(13) 0.146 Uiso 1 calc R .
C37 C -0.1112(26) 0.8152(12) 0.1568(13) 0.093(8) Uani 1 d . .
H37A H -0.1328(26) 0.7696(12) 0.1813(13) 0.112 Uiso 1 calc R .
H37B H -0.0452(26) 0.8069(12) 0.1176(13) 0.112 Uiso 1 calc R .
C38 C -0.2290(29) 0.8455(17) 0.1080(15) 0.142(11) Uani 1 d . .
H38A H -0.2590(29) 0.8127(17) 0.0639(15) 0.213 Uiso 1 calc R .
H38B H -0.2077(29) 0.8901(17) 0.0826(15) 0.213 Uiso 1 calc R .
H38C H -0.2951(29) 0.8529(17) 0.1463(15) 0.213 Uiso 1 calc R .
C40 C -0.3368(28) 0.5335(16) 0.4697(18) 0.045(7) Uiso 0.50 d P .
H40A H -0.3804(28) 0.5354(16) 0.5221(18) 0.054 Uiso 0.50 calc PR .
H40B H -0.3683(28) 0.4918(16) 0.4381(18) 0.054 Uiso 0.50 calc PR .
Cl1 Cl -0.3788(15) 0.6092(7) 0.4092(7) 0.116(5) Uani 0.50 d P .
Cl2 Cl -0.1787(11) 0.5229(6) 0.4954(11) 0.133(6) Uani 0.50 d P .
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
_geom_angle_publ_flag
N21 Pd1 O1 92.9(5) . 3_576 ?
N21 Pd1 P2 80.6(4) . . ?
O1 Pd1 P2 172.3(3) 3_576 . ?
N21 Pd1 P1 176.9(4) . . ?
O1 Pd1 P1 84.6(3) 3_576 . ?
P2 Pd1 P1 102.1(2) . . ?
P1 O1 Pd1 127.0(5) . 3_576 ?
O1 P1 C1 103.3(6) . . ?
O1 P1 C7 110.2(7) . . ?
C1 P1 C7 102.0(8) . . ?
O1 P1 Pd1 112.7(4) . . ?
C1 P1 Pd1 122.3(5) . . ?
C7 P1 Pd1 105.6(5) . . ?
C6 C1 C2 119.4(16) . . ?
C6 C1 P1 122.6(13) . . ?
C2 C1 P1 118.0(14) . . ?
C3 C2 C1 121.5(19) . . ?
C2 C3 C4 117.9(21) . . ?
C5 C4 C3 120.1(18) . . ?
C4 C5 C6 119.6(19) . . ?
C1 C6 C5 121.3(18) . . ?
C12 C7 C8 117.0(17) . . ?
C12 C7 P1 120.6(14) . . ?
C8 C7 P1 122.4(12) . . ?
C9 C8 C7 123.1(18) . . ?
C8 C9 C10 121.0(23) . . ?
C9 C10 C11 120.1(24) . . ?
C10 C11 C12 120.5(20) . . ?
C7 C12 C11 118.2(19) . . ?
C21 N21 C35 114.9(14) . . ?
C21 N21 Pd1 124.3(12) . . ?
C35 N21 Pd1 117.3(10) . . ?
N21 C21 O21 133.2(18) . . ?
N21 C21 N22 115.7(13) . . ?
O21 C21 N22 109.6(19) . . ?
C37 N22 C21 122.7(14) . . ?
C37 N22 P2 122.4(12) . . ?
C21 N22 P2 114.0(12) . . ?
N22 P2 C29 104.4(7) . . ?
N22 P2 C23 103.9(7) . . ?
C29 P2 C23 109.5(8) . . ?
N22 P2 Pd1 103.2(5) . . ?
C29 P2 Pd1 116.9(7) . . ?
C23 P2 Pd1 116.9(6) . . ?
C28 C23 C24 118.8(18) . . ?
C28 C23 P2 126.0(14) . . ?
C24 C23 P2 114.9(15) . . ?
C23 C24 C25 117.9(18) . . ?
C26 C25 C24 121.5(18) . . ?
C27 C26 C25 119.3(20) . . ?
C26 C27 C28 121.6(22) . . ?
C23 C28 C27 120.8(19) . . ?
C30 C29 C34 114.7(17) . . ?
C30 C29 P2 126.1(13) . . ?
C34 C29 P2 119.1(13) . . ?
C29 C30 C31 122.8(16) . . ?
C32 C31 C30 119.3(17) . . ?
C31 C32 C33 119.4(18) . . ?
C34 C33 C32 120.6(17) . . ?
C33 C34 C29 123.2(18) . . ?
C36 C35 N21 118.9(15) . . ?
N22 C37 C38 112.1(20) . . ?
Cl2 C40 Cl1 115.4(17) . . ?
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
Pd1 N21 1.990(11) . ?
Pd1 O1 2.051(9) 3_576 ?
Pd1 P2 2.160(5) . ?
Pd1 P1 2.221(4) . ?
O1 P1 1.484(9) . ?
O1 Pd1 2.051(9) 3_576 ?
P1 C1 1.78(2) . ?
P1 C7 1.827(15) . ?
C1 C6 1.32(2) . ?
C1 C2 1.38(2) . ?
C2 C3 1.36(2) . ?
C3 C4 1.40(3) . ?
C4 C5 1.36(3) . ?
C5 C6 1.38(2) . ?
C7 C12 1.32(2) . ?
C7 C8 1.42(2) . ?
C8 C9 1.31(3) . ?
C9 C10 1.32(3) . ?
C10 C11 1.33(3) . ?
C11 C12 1.47(3) . ?
N21 C21 1.21(2) . ?
N21 C35 1.47(2) . ?
C21 O21 1.28(2) . ?
C21 N22 1.43(2) . ?
N22 C37 1.41(2) . ?
N22 P2 1.639(12) . ?
P2 C29 1.74(2) . ?
P2 C23 1.82(2) . ?
C23 C28 1.35(2) . ?
C23 C24 1.38(2) . ?
C24 C25 1.40(2) . ?
C25 C26 1.33(3) . ?
C26 C27 1.32(3) . ?
C27 C28 1.36(3) . ?
C29 C30 1.35(2) . ?
C29 C34 1.41(2) . ?
C30 C31 1.37(2) . ?
C31 C32 1.35(2) . ?
C32 C33 1.35(2) . ?
C33 C34 1.30(2) . ?
C35 C36 1.39(2) . ?
C37 C38 1.51(3) . ?
C40 Cl2 1.68(3) . ?
C40 Cl1 1.74(3) . ?
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
Pd1 O1 P1 C1 146.8(8) 3_576 . . . ?
Pd1 O1 P1 C7 38.4(9) 3_576 . . . ?
Pd1 O1 P1 Pd1 -79.2(7) 3_576 . . . ?
N21 Pd1 P1 O1 87.3(71) . . . . ?
O1 Pd1 P1 O1 52.0(6) 3_576 . . . ?
P2 Pd1 P1 O1 -124.2(4) . . . . ?
N21 Pd1 P1 C1 -148.6(71) . . . . ?
O1 Pd1 P1 C1 176.0(8) 3_576 . . . ?
P2 Pd1 P1 C1 -0.1(7) . . . . ?
N21 Pd1 P1 C7 -33.0(72) . . . . ?
O1 Pd1 P1 C7 -68.4(6) 3_576 . . . ?
P2 Pd1 P1 C7 115.5(6) . . . . ?
O1 P1 C1 C6 -137.5(14) . . . . ?
C7 P1 C1 C6 -23.0(15) . . . . ?
Pd1 P1 C1 C6 94.3(15) . . . . ?
O1 P1 C1 C2 42.5(14) . . . . ?
C7 P1 C1 C2 157.0(13) . . . . ?
Pd1 P1 C1 C2 -85.7(12) . . . . ?
C6 C1 C2 C3 -5.3(27) . . . . ?
P1 C1 C2 C3 174.7(16) . . . . ?
C1 C2 C3 C4 5.5(31) . . . . ?
C2 C3 C4 C5 -2.2(31) . . . . ?
C3 C4 C5 C6 -1.3(29) . . . . ?
C2 C1 C6 C5 1.6(26) . . . . ?
P1 C1 C6 C5 -178.4(13) . . . . ?
C4 C5 C6 C1 1.6(28) . . . . ?
O1 P1 C7 C12 -143.6(15) . . . . ?
C1 P1 C7 C12 107.1(16) . . . . ?
Pd1 P1 C7 C12 -21.7(16) . . . . ?
O1 P1 C7 C8 33.3(16) . . . . ?
C1 P1 C7 C8 -75.9(16) . . . . ?
Pd1 P1 C7 C8 155.3(14) . . . . ?
C12 C7 C8 C9 0.8(31) . . . . ?
P1 C7 C8 C9 -176.3(17) . . . . ?
C7 C8 C9 C10 -4.2(35) . . . . ?
C8 C9 C10 C11 5.9(38) . . . . ?
C9 C10 C11 C12 -4.3(40) . . . . ?
C8 C7 C12 C11 0.7(28) . . . . ?
P1 C7 C12 C11 177.8(16) . . . . ?
C10 C11 C12 C7 1.0(36) . . . . ?
O1 Pd1 N21 C21 179.4(14) 3_576 . . . ?
P2 Pd1 N21 C21 -4.6(14) . . . . ?
P1 Pd1 N21 C21 144.2(65) . . . . ?
O1 Pd1 N21 C35 21.7(11) 3_576 . . . ?
P2 Pd1 N21 C35 -162.3(11) . . . . ?
P1 Pd1 N21 C35 -13.5(78) . . . . ?
C35 N21 C21 O21 -23.5(30) . . . . ?
Pd1 N21 C21 O21 178.3(17) . . . . ?
C35 N21 C21 N22 172.2(14) . . . . ?
Pd1 N21 C21 N22 14.1(22) . . . . ?
N21 C21 N22 C37 173.3(18) . . . . ?
O21 C21 N22 C37 5.4(25) . . . . ?
N21 C21 N22 P2 -17.6(20) . . . . ?
O21 C21 N22 P2 174.5(12) . . . . ?
C37 N22 P2 C29 59.2(18) . . . . ?
C21 N22 P2 C29 -110.0(12) . . . . ?
C37 N22 P2 C23 -55.6(18) . . . . ?
C21 N22 P2 C23 135.2(12) . . . . ?
C37 N22 P2 Pd1 -178.1(15) . . . . ?
C21 N22 P2 Pd1 12.7(12) . . . . ?
N21 Pd1 P2 N22 -4.8(6) . . . . ?
O1 Pd1 P2 N22 26.9(20) 3_576 . . . ?
P1 Pd1 P2 N22 176.8(5) . . . . ?
N21 Pd1 P2 C29 109.1(6) . . . . ?
O1 Pd1 P2 C29 140.8(19) 3_576 . . . ?
P1 Pd1 P2 C29 -69.2(6) . . . . ?
N21 Pd1 P2 C23 -118.2(7) . . . . ?
O1 Pd1 P2 C23 -86.4(20) 3_576 . . . ?
P1 Pd1 P2 C23 63.5(6) . . . . ?
N22 P2 C23 C28 81.4(17) . . . . ?
C29 P2 C23 C28 -29.7(18) . . . . ?
Pd1 P2 C23 C28 -165.7(14) . . . . ?
N22 P2 C23 C24 -93.2(14) . . . . ?
C29 P2 C23 C24 155.7(13) . . . . ?
Pd1 P2 C23 C24 19.7(15) . . . . ?
C28 C23 C24 C25 1.8(27) . . . . ?
P2 C23 C24 C25 176.8(15) . . . . ?
C23 C24 C25 C26 -0.1(32) . . . . ?
C24 C25 C26 C27 -1.8(38) . . . . ?
C25 C26 C27 C28 2.1(39) . . . . ?
C24 C23 C28 C27 -1.6(29) . . . . ?
P2 C23 C28 C27 -176.0(16) . . . . ?
C26 C27 C28 C23 -0.3(35) . . . . ?
N22 P2 C29 C30 -140.7(17) . . . . ?
C23 P2 C29 C30 -30.0(20) . . . . ?
Pd1 P2 C29 C30 106.0(18) . . . . ?
N22 P2 C29 C34 43.6(16) . . . . ?
C23 P2 C29 C34 154.4(15) . . . . ?
Pd1 P2 C29 C34 -69.6(15) . . . . ?
C34 C29 C30 C31 -1.0(30) . . . . ?
P2 C29 C30 C31 -176.8(17) . . . . ?
C29 C30 C31 C32 2.2(35) . . . . ?
C30 C31 C32 C33 -2.0(36) . . . . ?
C31 C32 C33 C34 0.5(37) . . . . ?
C32 C33 C34 C29 0.8(36) . . . . ?
C30 C29 C34 C33 -0.6(30) . . . . ?
P2 C29 C34 C33 175.6(19) . . . . ?
C21 N21 C35 C36 -88.6(21) . . . . ?
Pd1 N21 C35 C36 71.2(19) . . . . ?
C21 N22 C37 C38 -83.3(22) . . . . ?
P2 N22 C37 C38 108.5(18) . . . . ?
