# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Vivian Yam'
_publ_contact_author_address     
;
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong
CHINA
;

_publ_contact_author_email       WWYAM@HKU.HK

_publ_section_title              
;
Anion-assisted trans-cis isomerization of
palladium(II) phosphine complexes containing acetanilide functionalities
through hydrogen bonding interactions
;
loop_
_publ_author_name
'Vivian Yam'
'Chi-Chiu Ko'
'Xiao-Xia Lu'
'Hau-San Tang'
'Jenny Ka-Yan Wong'
'Nianyong Zhu'

data_mar1109
_database_code_depnum_ccdc_archive 'CCDC 258649'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H30 P1 Pd1'
_chemical_formula_sum            'C72 H108 Cl4 N4 O2 P2 Pd'
_chemical_formula_weight         1371.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

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'

_cell_length_a                   13.641(3)
_cell_length_b                   18.267(4)
_cell_length_c                   15.156(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.42(3)
_cell_angle_gamma                90.00
_cell_volume                     3773.2(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1456
_exptl_absorpt_coefficient_mu    0.473
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16043
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0754
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         25.35
_reflns_number_total             5926
_reflns_number_gt                3760
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       Marcontrol
_computing_cell_refinement       Scalepack
_computing_data_reduction        Denzo
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0758P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5926
_refine_ls_number_parameters     394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.1329
_refine_ls_wR_factor_gt          0.1178
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_restrained_S_all      0.921
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Pd1 Pd 0.0000 0.0000 1.0000 0.05239(16) Uani 1 2 d S . .
Cl1 Cl 0.10722(9) -0.09622(5) 1.02101(6) 0.0763(3) Uani 1 1 d . . .
Cl2 Cl -0.07618(9) -0.41547(5) 0.81968(7) 0.0794(3) Uani 1 1 d . . .
P1 P 0.03312(7) -0.00586(5) 0.84980(6) 0.0536(2) Uani 1 1 d . . .
O1 O -0.0866(3) -0.26034(19) 0.5240(2) 0.1234(15) Uani 1 1 d . . .
N1 N -0.0885(3) -0.28642(19) 0.6695(2) 0.0710(10) Uani 1 1 d . . .
N2 N -0.3851(3) -0.14766(17) 0.5581(2) 0.0784(10) Uani 1 1 d . . .
C1 C -0.0129(3) -0.08775(18) 0.7941(2) 0.0553(9) Uani 1 1 d . . .
C2 C -0.0415(3) -0.1489(2) 0.8411(2) 0.0648(10) Uani 1 1 d . . .
H2 H -0.0425 -0.1466 0.9024 0.078 Uiso 1 1 calc R . .
C3 C -0.0684(3) -0.2128(2) 0.7985(2) 0.0666(11) Uani 1 1 d . . .
H3 H -0.0882 -0.2527 0.8314 0.080 Uiso 1 1 calc R . .
C4 C -0.0665(3) -0.21864(19) 0.7070(2) 0.0594(10) Uani 1 1 d . . .
C5 C -0.0414(3) -0.1572(2) 0.6600(2) 0.0694(11) Uani 1 1 d . . .
H5 H -0.0412 -0.1592 0.5987 0.083 Uiso 1 1 calc R . .
C6 C -0.0167(3) -0.0931(2) 0.7031(2) 0.0657(11) Uani 1 1 d . . .
H6 H -0.0022 -0.0520 0.6699 0.079 Uiso 1 1 calc R . .
C7 C -0.0954(4) -0.3045(2) 0.5822(3) 0.0832(13) Uani 1 1 d . . .
C8 C -0.1145(4) -0.3845(2) 0.5648(3) 0.0985(16) Uani 1 1 d . . .
H8A H -0.1601 -0.3896 0.5152 0.148 Uiso 1 1 calc R . .
H8B H -0.1415 -0.4065 0.6159 0.148 Uiso 1 1 calc R . .
H8C H -0.0540 -0.4084 0.5521 0.148 Uiso 1 1 calc R . .
C9 C -0.0137(3) 0.06686(19) 0.7777(2) 0.0598(10) Uani 1 1 d . . .
C10 C -0.1138(4) 0.0752(2) 0.7651(3) 0.0762(12) Uani 1 1 d . . .
H10 H -0.1556 0.0445 0.7949 0.091 Uiso 1 1 calc R . .
C11 C -0.1535(4) 0.1287(3) 0.7089(3) 0.0951(16) Uani 1 1 d . . .
H11 H -0.2211 0.1338 0.7004 0.114 Uiso 1 1 calc R . .
C12 C -0.0897(6) 0.1741(3) 0.6657(3) 0.114(2) Uani 1 1 d . . .
H12 H -0.1149 0.2105 0.6284 0.136 Uiso 1 1 calc R . .
C13 C 0.0089(6) 0.1663(3) 0.6770(4) 0.1119(19) Uani 1 1 d . . .
H13 H 0.0509 0.1965 0.6468 0.134 Uiso 1 1 calc R . .
C14 C 0.0461(4) 0.1137(2) 0.7333(3) 0.0823(13) Uani 1 1 d . . .
H14 H 0.1138 0.1094 0.7418 0.099 Uiso 1 1 calc R . .
C15 C 0.1649(3) -0.0035(2) 0.8357(2) 0.0629(10) Uani 1 1 d . . .
C16 C 0.2110(4) -0.0435(3) 0.7737(3) 0.1013(16) Uani 1 1 d . . .
H16 H 0.1760 -0.0777 0.7396 0.122 Uiso 1 1 calc R . .
C17 C 0.3104(4) -0.0330(4) 0.7615(4) 0.132(2) Uani 1 1 d . . .
H17 H 0.3407 -0.0604 0.7186 0.158 Uiso 1 1 calc R . .
C18 C 0.3634(4) 0.0148(4) 0.8091(4) 0.115(2) Uani 1 1 d . . .
H18 H 0.4295 0.0215 0.7988 0.138 Uiso 1 1 calc R . .
C19 C 0.3201(4) 0.0538(4) 0.8732(4) 0.120(2) Uani 1 1 d . . .
H19 H 0.3565 0.0872 0.9073 0.144 Uiso 1 1 calc R . .
C20 C 0.2203(4) 0.0433(3) 0.8874(3) 0.0986(15) Uani 1 1 d . . .
H20 H 0.1914 0.0685 0.9328 0.118 Uiso 1 1 calc R . .
C21 C -0.3337(4) -0.2043(2) 0.5018(3) 0.0957(15) Uani 1 1 d . . .
H21A H -0.2642 -0.2039 0.5181 0.115 Uiso 1 1 calc R . .
H21B H -0.3588 -0.2525 0.5156 0.115 Uiso 1 1 calc R . .
C22 C -0.3459(4) -0.1926(3) 0.4042(4) 0.1074(17) Uani 1 1 d . . .
H22A H -0.3180 -0.1457 0.3885 0.129 Uiso 1 1 calc R . .
H22B H -0.4150 -0.1923 0.3865 0.129 Uiso 1 1 calc R . .
C23 C -0.2939(5) -0.2540(3) 0.3568(4) 0.139(2) Uani 1 1 d . . .
H23A H -0.2265 -0.2568 0.3796 0.166 Uiso 1 1 calc R . .
H23B H -0.3255 -0.3001 0.3698 0.166 Uiso 1 1 calc R . .
C24 C -0.2945(6) -0.2444(4) 0.2628(4) 0.180(4) Uani 1 1 d . . .
H24A H -0.3493 -0.2702 0.2359 0.270 Uiso 1 1 calc R . .
H24B H -0.2346 -0.2633 0.2407 0.270 Uiso 1 1 calc R . .
H24C H -0.2999 -0.1932 0.2490 0.270 Uiso 1 1 calc R . .
C25 C -0.4957(3) -0.1527(3) 0.5452(3) 0.0900(14) Uani 1 1 d . . .
H25A H -0.5245 -0.1154 0.5817 0.108 Uiso 1 1 calc R . .
H25B H -0.5129 -0.1406 0.4842 0.108 Uiso 1 1 calc R . .
C26 C -0.5422(5) -0.2240(3) 0.5656(4) 0.140(3) Uani 1 1 d . . .
H26A H -0.5219 -0.2395 0.6248 0.168 Uiso 1 1 calc R . .
H26B H -0.5218 -0.2610 0.5243 0.168 Uiso 1 1 calc R . .
C27 C -0.6522(7) -0.2153(6) 0.5586(8) 0.262(8) Uani 1 1 d . . .
H27A H -0.6729 -0.2133 0.6190 0.314 Uiso 1 1 calc R . .
H27B H -0.6636 -0.1668 0.5342 0.314 Uiso 1 1 calc R . .
C28 C -0.7081(7) -0.2530(6) 0.5216(5) 0.204(5) Uani 1 1 d . . .
H28A H -0.7077 -0.2431 0.4594 0.306 Uiso 1 1 calc R . .
H28B H -0.7725 -0.2440 0.5424 0.306 Uiso 1 1 calc R . .
H28C H -0.6906 -0.3032 0.5323 0.306 Uiso 1 1 calc R . .
C29 C -0.3506(4) -0.1634(3) 0.6535(3) 0.1005(16) Uani 1 1 d . . .
H29A H -0.3604 -0.2151 0.6650 0.121 Uiso 1 1 calc R . .
H29B H -0.2807 -0.1540 0.6593 0.121 Uiso 1 1 calc R . .
C30 C -0.4002(5) -0.1204(3) 0.7232(3) 0.117(2) Uani 1 1 d . . .
H30A H -0.4648 -0.1404 0.7321 0.140 Uiso 1 1 calc R . .
H30B H -0.4077 -0.0698 0.7046 0.140 Uiso 1 1 calc R . .
C31 C -0.3373(7) -0.1243(4) 0.8097(4) 0.173(3) Uani 1 1 d . . .
H31A H -0.3298 -0.1756 0.8252 0.207 Uiso 1 1 calc R . .
H31B H -0.2726 -0.1059 0.7975 0.207 Uiso 1 1 calc R . .
C32 C -0.3655(10) -0.0915(5) 0.8762(6) 0.312(9) Uani 1 1 d . . .
H32A H -0.3485 -0.0406 0.8725 0.468 Uiso 1 1 calc R . .
H32B H -0.3344 -0.1124 0.9283 0.468 Uiso 1 1 calc R . .
H32C H -0.4354 -0.0963 0.8791 0.468 Uiso 1 1 calc R . .
C33 C -0.3574(4) -0.0704(2) 0.5330(3) 0.0838(13) Uani 1 1 d . . .
H33A H -0.3831 -0.0610 0.4735 0.101 Uiso 1 1 calc R . .
H33B H -0.3894 -0.0367 0.5720 0.101 Uiso 1 1 calc R . .
C34 C -0.2499(4) -0.0539(3) 0.5368(4) 0.1064(17) Uani 1 1 d . . .
H34A H -0.2153 -0.0906 0.5039 0.128 Uiso 1 1 calc R . .
H34B H -0.2248 -0.0552 0.5976 0.128 Uiso 1 1 calc R . .
C35 C -0.2323(6) 0.0208(3) 0.4980(4) 0.137(3) Uani 1 1 d . . .
H35A H -0.2639 0.0232 0.4396 0.164 Uiso 1 1 calc R . .
H35B H -0.2627 0.0575 0.5344 0.164 Uiso 1 1 calc R . .
C36 C -0.1275(7) 0.0388(4) 0.4915(5) 0.185(4) Uani 1 1 d . . .
H36A H -0.0989 0.0475 0.5495 0.278 Uiso 1 1 calc R . .
H36B H -0.1209 0.0818 0.4559 0.278 Uiso 1 1 calc R . .
H36C H -0.0944 -0.0014 0.4648 0.278 Uiso 1 1 calc R . .
H1 H -0.093(3) -0.320(2) 0.705(2) 0.061(12) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pd1 0.0593(3) 0.0475(2) 0.0508(2) -0.00076(17) 0.00722(17) 0.0029(2)
Cl1 0.0949(9) 0.0705(6) 0.0637(6) -0.0009(5) 0.0049(5) 0.0322(6)
Cl2 0.0985(9) 0.0620(6) 0.0790(7) 0.0063(5) 0.0194(6) -0.0017(6)
P1 0.0599(6) 0.0515(5) 0.0498(5) 0.0001(4) 0.0079(4) 0.0001(5)
O1 0.211(5) 0.086(2) 0.070(2) -0.0024(18) -0.019(2) -0.027(2)
N1 0.094(3) 0.055(2) 0.064(2) -0.0008(18) -0.0001(18) -0.0063(19)
N2 0.089(3) 0.058(2) 0.088(2) -0.0031(17) 0.003(2) 0.0028(19)
C1 0.062(3) 0.049(2) 0.055(2) 0.0005(16) 0.0083(17) -0.0003(18)
C2 0.082(3) 0.059(2) 0.054(2) 0.0013(18) 0.0079(19) 0.001(2)
C3 0.085(3) 0.053(2) 0.062(2) 0.0067(18) 0.008(2) -0.004(2)
C4 0.068(3) 0.048(2) 0.063(2) -0.0012(18) 0.0027(18) -0.0016(18)
C5 0.096(3) 0.061(2) 0.051(2) -0.0048(18) 0.004(2) -0.010(2)
C6 0.087(3) 0.055(2) 0.056(2) 0.0062(18) 0.012(2) -0.011(2)
C7 0.097(4) 0.070(3) 0.081(3) -0.006(2) -0.014(3) -0.008(2)
C8 0.128(5) 0.072(3) 0.094(3) -0.018(2) -0.011(3) -0.012(3)
C9 0.071(3) 0.054(2) 0.054(2) -0.0010(17) -0.0007(19) -0.002(2)
C10 0.086(4) 0.078(3) 0.064(2) -0.002(2) 0.001(2) 0.008(2)
C11 0.099(4) 0.100(4) 0.084(3) -0.014(3) -0.024(3) 0.037(3)
C12 0.178(7) 0.071(3) 0.090(4) 0.017(3) -0.021(4) 0.013(4)
C13 0.142(6) 0.081(4) 0.112(4) 0.036(3) -0.006(4) -0.014(4)
C14 0.092(4) 0.070(3) 0.084(3) 0.018(2) -0.003(2) -0.014(3)
C15 0.058(2) 0.071(2) 0.059(2) 0.003(2) 0.0053(18) -0.003(2)
C16 0.069(4) 0.138(5) 0.098(3) -0.040(3) 0.013(3) 0.008(3)
C17 0.068(4) 0.208(7) 0.119(5) -0.052(5) 0.020(3) 0.008(4)
C18 0.059(3) 0.180(6) 0.106(4) -0.001(4) 0.015(3) -0.003(4)
C19 0.072(4) 0.163(6) 0.125(5) -0.017(4) -0.006(3) -0.043(4)
C20 0.084(4) 0.126(4) 0.086(3) -0.025(3) 0.012(3) -0.020(3)
C21 0.099(4) 0.066(3) 0.124(4) -0.010(3) 0.022(3) 0.000(3)
C22 0.107(5) 0.097(4) 0.120(4) -0.038(3) 0.026(3) -0.012(3)
C23 0.169(6) 0.096(4) 0.157(5) -0.027(4) 0.087(5) -0.028(4)
C24 0.245(9) 0.149(6) 0.155(6) -0.050(5) 0.097(6) -0.090(6)
C25 0.077(4) 0.110(4) 0.084(3) -0.025(3) 0.007(2) 0.004(3)
C26 0.138(6) 0.124(5) 0.161(6) -0.063(4) 0.055(5) -0.059(4)
C27 0.143(9) 0.268(12) 0.385(17) -0.215(12) 0.130(10) -0.110(8)
C28 0.164(9) 0.280(12) 0.164(7) -0.088(7) -0.055(6) 0.089(8)
C29 0.127(5) 0.075(3) 0.097(3) 0.017(3) -0.023(3) 0.001(3)
C30 0.186(6) 0.085(3) 0.077(3) -0.003(3) -0.016(3) -0.004(4)
C31 0.289(11) 0.114(5) 0.107(5) 0.000(4) -0.078(6) 0.012(6)
C32 0.54(2) 0.200(10) 0.179(9) -0.089(7) -0.188(12) 0.177(12)
C33 0.100(4) 0.066(3) 0.085(3) 0.001(2) -0.001(3) 0.007(3)
C34 0.115(5) 0.081(3) 0.123(4) -0.007(3) 0.013(3) -0.015(3)
C35 0.178(8) 0.101(4) 0.136(5) 0.001(4) 0.059(5) -0.034(4)
C36 0.212(9) 0.180(7) 0.171(7) -0.038(6) 0.099(6) -0.076(7)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 Cl1 2.3001(10) . ?
Pd1 Cl1 2.3001(10) 3_557 ?
Pd1 P1 2.3420(10) . ?
Pd1 P1 2.3420(10) 3_557 ?
P1 C1 1.817(3) . ?
P1 C9 1.819(4) . ?
P1 C15 1.820(4) . ?
O1 C7 1.205(5) . ?
N1 C7 1.363(5) . ?
N1 C4 1.390(4) . ?
N2 C33 1.514(5) . ?
N2 C25 1.516(5) . ?
N2 C29 1.528(5) . ?
N2 C21 1.531(5) . ?
C1 C6 1.380(5) . ?
C1 C2 1.390(5) . ?
C2 C3 1.376(5) . ?
C3 C4 1.392(5) . ?
C4 C5 1.380(5) . ?
C5 C6 1.376(5) . ?
C7 C8 1.505(6) . ?
C9 C14 1.378(5) . ?
C9 C10 1.379(5) . ?
C10 C11 1.391(6) . ?
C11 C12 1.387(8) . ?
C12 C13 1.356(8) . ?
C13 C14 1.368(6) . ?
C15 C16 1.365(6) . ?
C15 C20 1.367(6) . ?
C16 C17 1.389(7) . ?
C17 C18 1.328(8) . ?
C18 C19 1.359(7) . ?
C19 C20 1.400(6) . ?
C21 C22 1.497(7) . ?
C22 C23 1.522(7) . ?
C23 C24 1.435(8) . ?
C25 C26 1.487(7) . ?
C26 C27 1.507(11) . ?
C27 C28 1.156(9) . ?
C29 C30 1.500(7) . ?
C30 C31 1.538(7) . ?
C31 C32 1.248(10) . ?
C33 C34 1.496(6) . ?
C34 C35 1.509(7) . ?
C35 C36 1.475(9) . ?

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
Cl1 Pd1 Cl1 180.0 . 3_557 ?
Cl1 Pd1 P1 87.25(4) . . ?
Cl1 Pd1 P1 92.75(4) 3_557 . ?
Cl1 Pd1 P1 92.75(4) . 3_557 ?
Cl1 Pd1 P1 87.25(4) 3_557 3_557 ?
P1 Pd1 P1 180.0 . 3_557 ?
C1 P1 C9 102.49(17) . . ?
C1 P1 C15 106.78(17) . . ?
C9 P1 C15 103.63(18) . . ?
C1 P1 Pd1 114.36(12) . . ?
C9 P1 Pd1 118.25(12) . . ?
C15 P1 Pd1 110.20(13) . . ?
C7 N1 C4 128.2(4) . . ?
C33 N2 C25 106.4(3) . . ?
C33 N2 C29 110.1(3) . . ?
C25 N2 C29 112.1(4) . . ?
C33 N2 C21 111.4(4) . . ?
C25 N2 C21 111.4(3) . . ?
C29 N2 C21 105.7(4) . . ?
C6 C1 C2 117.1(3) . . ?
C6 C1 P1 121.3(3) . . ?
C2 C1 P1 121.5(3) . . ?
C3 C2 C1 121.0(3) . . ?
C2 C3 C4 121.2(3) . . ?
C5 C4 N1 124.5(3) . . ?
C5 C4 C3 117.8(3) . . ?
N1 C4 C3 117.6(3) . . ?
C6 C5 C4 120.5(3) . . ?
C5 C6 C1 122.2(3) . . ?
O1 C7 N1 122.9(4) . . ?
O1 C7 C8 122.9(4) . . ?
N1 C7 C8 114.2(4) . . ?
C14 C9 C10 117.9(4) . . ?
C14 C9 P1 123.1(3) . . ?
C10 C9 P1 119.0(3) . . ?
C9 C10 C11 121.3(5) . . ?
C12 C11 C10 118.3(5) . . ?
C13 C12 C11 121.1(5) . . ?
C12 C13 C14 119.5(5) . . ?
C13 C14 C9 121.9(5) . . ?
C16 C15 C20 118.0(4) . . ?
C16 C15 P1 123.7(3) . . ?
C20 C15 P1 118.2(3) . . ?
C15 C16 C17 119.9(5) . . ?
C18 C17 C16 122.0(5) . . ?
C17 C18 C19 119.3(5) . . ?
C18 C19 C20 119.5(5) . . ?
C15 C20 C19 121.0(5) . . ?
C22 C21 N2 114.9(4) . . ?
C21 C22 C23 109.0(5) . . ?
C24 C23 C22 113.3(6) . . ?
C26 C25 N2 117.2(5) . . ?
C25 C26 C27 108.9(7) . . ?
C28 C27 C26 127.3(9) . . ?
C30 C29 N2 115.9(4) . . ?
C29 C30 C31 108.9(5) . . ?
C32 C31 C30 119.2(8) . . ?
C34 C33 N2 115.7(4) . . ?
C33 C34 C35 109.8(5) . . ?
C36 C35 C34 113.4(6) . . ?

_diffrn_measured_fraction_theta_max 0.858
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.858
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.103