# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_pd-pse

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H38 Cl2 N O Pd Se, C2 H3 N'
_chemical_formula_sum            'C32 H41 Cl2 N2 O Pd Se'
_chemical_formula_weight         725.93

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3315(5)
_cell_length_b                   10.4554(4)
_cell_length_c                   26.1643(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.856(4)
_cell_angle_gamma                90.00
_cell_volume                     3341.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      1.443
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1476.0
_exptl_absorpt_coefficient_mu    1.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41621
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5885
_reflns_number_gt                5337
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0271P)²+4.1838P] where P=(Fo²+2Fc²)/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         5885
_refine_ls_number_parameters     359
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.0840
_refine_ls_wR_factor_gt          0.0818
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_restrained_S_all      1.216
_refine_ls_shift/su_max          0.002
_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
C1 C 0.8636(3) 0.2251(4) 1.06626(15) 0.0455(9) Uani 1 1 d . . .
H1 H 0.8011 0.2594 1.0472 0.055 Uiso 1 1 calc R . .
C2 C 0.9468(4) 0.3040(4) 1.08702(16) 0.0537(10) Uani 1 1 d . . .
H2 H 0.9409 0.3918 1.0817 0.064 Uiso 1 1 calc R . .
C3 C 1.0391(4) 0.2545(5) 1.11573(17) 0.0587(12) Uani 1 1 d . . .
H3 H 1.0953 0.3086 1.1297 0.070 Uiso 1 1 calc R . .
C4 C 1.0476(3) 0.1244(5) 1.12367(17) 0.0597(12) Uani 1 1 d . . .
H4 H 1.1101 0.0909 1.1430 0.072 Uiso 1 1 calc R . .
C5 C 0.9646(3) 0.0432(4) 1.10322(15) 0.0467(10) Uani 1 1 d . . .
H5 H 0.9701 -0.0444 1.1091 0.056 Uiso 1 1 calc R . .
C6 C 0.8727(3) 0.0948(3) 1.07369(14) 0.0371(8) Uani 1 1 d . . .
C7 C 0.8063(3) -0.0417(4) 0.97556(15) 0.0489(10) Uani 1 1 d . . .
H7A H 0.8531 0.0293 0.9689 0.059 Uiso 1 1 calc R . .
H7B H 0.8471 -0.1205 0.9736 0.059 Uiso 1 1 calc R . .
C8 C 0.7047(3) -0.0431(4) 0.93606(14) 0.0438(9) Uani 1 1 d . . .
H8A H 0.7259 -0.0463 0.9017 0.053 Uiso 1 1 calc R . .
H8B H 0.6624 -0.1193 0.9408 0.053 Uiso 1 1 calc R . .
C9 C 0.6773(3) 0.1896(3) 0.91655(13) 0.0370(8) Uani 1 1 d . . .
H9A H 0.7557 0.1962 0.9269 0.044 Uiso 1 1 calc R . .
H9B H 0.6433 0.2648 0.9291 0.044 Uiso 1 1 calc R . .
C10 C 0.6538(3) 0.1858(3) 0.85837(12) 0.0339(8) Uani 1 1 d . . .
C11 C 0.5454(3) 0.1793(3) 0.83551(13) 0.0384(8) Uani 1 1 d . . .
H11 H 0.4902 0.1796 0.8564 0.046 Uiso 1 1 calc R . .
C12 C 0.5174(3) 0.1725(4) 0.78269(14) 0.0394(8) Uani 1 1 d . . .
C13 C 0.6038(3) 0.1680(4) 0.75352(13) 0.0401(8) Uani 1 1 d . . .
H13 H 0.5864 0.1601 0.7179 0.048 Uiso 1 1 calc R . .
C14 C 0.7137(3) 0.1744(3) 0.77355(13) 0.0357(8) Uani 1 1 d . . .
C15 C 0.7371(3) 0.1886(3) 0.82735(12) 0.0325(7) Uani 1 1 d . . .
C16 C 0.8685(3) 0.3362(3) 0.86585(15) 0.0413(9) Uani 1 1 d . . .
H16A H 0.8142 0.3684 0.8862 0.050 Uiso 1 1 calc R . .
H16B H 0.8661 0.3887 0.8351 0.050 Uiso 1 1 calc R . .
C17 C 0.9798(3) 0.3433(3) 0.89658(13) 0.0350(8) Uani 1 1 d . . .
C18 C 0.9912(3) 0.3558(4) 0.94940(15) 0.0435(9) Uani 1 1 d . . .
H18 H 0.9290 0.3572 0.9659 0.052 Uiso 1 1 calc R . .
C19 C 1.0934(3) 0.3664(4) 0.97830(16) 0.0517(10) Uani 1 1 d . . .
H19 H 1.0994 0.3748 1.0140 0.062 Uiso 1 1 calc R . .
C20 C 1.1857(3) 0.3646(4) 0.95470(18) 0.0548(11) Uani 1 1 d . . .
H20 H 1.2544 0.3733 0.9740 0.066 Uiso 1 1 calc R . .
C21 C 1.1756(3) 0.3498(4) 0.90222(18) 0.0560(11) Uani 1 1 d . . .
H21 H 1.2380 0.3467 0.8859 0.067 Uiso 1 1 calc R . .
C22 C 1.0737(3) 0.3396(4) 0.87336(16) 0.0490(10) Uani 1 1 d . . .
H22 H 1.0682 0.3301 0.8378 0.059 Uiso 1 1 calc R . .
C23 C 0.8028(3) 0.1654(4) 0.73725(14) 0.0467(9) Uani 1 1 d . . .
C24 C 0.7539(4) 0.1153(5) 0.68382(17) 0.0720(14) Uani 1 1 d . . .
H24A H 0.7068 0.1792 0.6663 0.108 Uiso 1 1 calc R . .
H24B H 0.7124 0.0390 0.6878 0.108 Uiso 1 1 calc R . .
H24C H 0.8119 0.0962 0.6640 0.108 Uiso 1 1 calc R . .
C25 C 0.8508(5) 0.2958(5) 0.7292(2) 0.098(2) Uani 1 1 d . . .
H25A H 0.8873 0.3274 0.7615 0.147 Uiso 1 1 calc R . .
H25B H 0.7932 0.3537 0.7161 0.147 Uiso 1 1 calc R . .
H25C H 0.9023 0.2892 0.7049 0.147 Uiso 1 1 calc R . .
C26 C 0.8904(5) 0.0687(6) 0.7575(2) 0.096(2) Uani 1 1 d . . .
H26A H 0.9404 0.0580 0.7327 0.143 Uiso 1 1 calc R . .
H26B H 0.8566 -0.0119 0.7631 0.143 Uiso 1 1 calc R . .
H26C H 0.9295 0.0988 0.7895 0.143 Uiso 1 1 calc R . .
C27 C 0.3988(3) 0.1676(4) 0.75579(16) 0.0499(10) Uani 1 1 d . . .
C28 C 0.3782(4) 0.0373(5) 0.7295(2) 0.0830(16) Uani 1 1 d . . .
H28A H 0.3888 -0.0292 0.7550 0.124 Uiso 1 1 calc R . .
H28B H 0.4283 0.0254 0.7049 0.124 Uiso 1 1 calc R . .
H28C H 0.3044 0.0339 0.7121 0.124 Uiso 1 1 calc R . .
C29 C 0.3166(4) 0.1836(7) 0.7937(2) 0.0903(19) Uani 1 1 d . . .
H29A H 0.3247 0.1146 0.8181 0.135 Uiso 1 1 calc R . .
H29B H 0.2437 0.1829 0.7753 0.135 Uiso 1 1 calc R . .
H29C H 0.3295 0.2635 0.8116 0.135 Uiso 1 1 calc R . .
C30 C 0.3791(4) 0.2733(6) 0.7148(2) 0.0824(16) Uani 1 1 d . . .
H30A H 0.3060 0.2663 0.6969 0.124 Uiso 1 1 calc R . .
H30B H 0.4306 0.2642 0.6906 0.124 Uiso 1 1 calc R . .
H30C H 0.3885 0.3554 0.7312 0.124 Uiso 1 1 calc R . .
C31 C 0.4984(5) 0.4649(5) 0.0856(2) 0.0857(17) Uani 1 1 d . . .
H31A H 0.5131 0.5023 0.0537 0.128 Uiso 1 1 calc R . .
H31B H 0.5358 0.3845 0.0907 0.128 Uiso 1 1 calc R . .
H31C H 0.5236 0.5214 0.1136 0.128 Uiso 1 1 calc R . .
C32 C 0.3829(6) 0.4449(6) 0.0836(2) 0.0863(18) Uani 1 1 d . . .
Cl1 Cl 0.57576(8) 0.12273(10) 1.10015(3) 0.0466(2) Uani 1 1 d . . .
Cl2 Cl 0.45712(7) 0.22999(9) 0.98211(4) 0.0435(2) Uani 1 1 d . . .
N1 N 0.6353(2) 0.0725(3) 0.94053(10) 0.0326(6) Uani 1 1 d . . .
N2 N 0.2927(5) 0.4286(8) 0.0822(3) 0.142(3) Uani 1 1 d . . .
O1 O 0.84433(18) 0.2047(2) 0.85143(9) 0.0358(5) Uani 1 1 d . . .
Pd1 Pd 0.60563(2) 0.10315(2) 1.015394(9) 0.03016(9) Uani 1 1 d . . .
Se1 Se 0.76044(3) -0.02386(3) 1.044813(14) 0.03795(11) Uani 1 1 d . . .


_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
C1 C2 1.370(6) . ?
C1 C6 1.379(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(5) . ?
C5 H5 0.9300 . ?
C6 Se1 1.934(4) . ?
C7 C8 1.512(5) . ?
C7 Se1 1.980(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N1 1.494(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N1 1.500(4) . ?
C9 C10 1.511(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.389(5) . ?
C10 C15 1.393(5) . ?
C11 C12 1.380(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.393(5) . ?
C12 C27 1.536(5) . ?
C13 C14 1.386(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.406(5) . ?
C14 C23 1.551(5) . ?
C15 O1 1.395(4) . ?
C16 O1 1.446(4) . ?
C16 C17 1.495(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.376(5) . ?
C17 C22 1.380(5) . ?
C18 C19 1.383(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.367(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.371(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C25 1.513(6) . ?
C23 C26 1.521(6) . ?
C23 C24 1.537(6) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C29 1.521(6) . ?
C27 C28 1.532(6) . ?
C27 C30 1.536(6) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.433(8) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 N2 1.121(8) . ?
Cl1 Pd1 2.3062(9) . ?
Cl2 Pd1 2.3314(9) . ?
N1 Pd1 2.066(3) . ?
Pd1 Se1 2.3661(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
C2 C1 C6 119.8(4) . . ?
C2 C1 H1 120.1 . . ?
C6 C1 H1 120.1 . . ?
C1 C2 C3 120.6(4) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 119.6(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 120.7(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 118.8(4) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 120.4(4) . . ?
C1 C6 Se1 122.6(3) . . ?
C5 C6 Se1 117.0(3) . . ?
C8 C7 Se1 108.2(2) . . ?
C8 C7 H7A 110.1 . . ?
Se1 C7 H7A 110.1 . . ?
C8 C7 H7B 110.1 . . ?
Se1 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
N1 C8 C7 111.6(3) . . ?
N1 C8 H8A 109.3 . . ?
C7 C8 H8A 109.3 . . ?
N1 C8 H8B 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 C10 111.7(3) . . ?
N1 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
N1 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C15 119.5(3) . . ?
C11 C10 C9 118.4(3) . . ?
C15 C10 C9 122.1(3) . . ?
C12 C11 C10 121.9(3) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 116.4(3) . . ?
C11 C12 C27 123.6(3) . . ?
C13 C12 C27 120.0(3) . . ?
C14 C13 C12 124.9(3) . . ?
C14 C13 H13 117.6 . . ?
C12 C13 H13 117.6 . . ?
C13 C14 C15 116.1(3) . . ?
C13 C14 C23 120.2(3) . . ?
C15 C14 C23 123.7(3) . . ?
C10 C15 O1 117.9(3) . . ?
C10 C15 C14 121.0(3) . . ?
O1 C15 C14 121.1(3) . . ?
O1 C16 C17 109.2(3) . . ?
O1 C16 H16A 109.8 . . ?
C17 C16 H16A 109.8 . . ?
O1 C16 H16B 109.8 . . ?
C17 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C18 C17 C22 117.9(3) . . ?
C18 C17 C16 120.3(3) . . ?
C22 C17 C16 121.7(3) . . ?
C17 C18 C19 121.1(4) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C20 C19 C18 120.3(4) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.1(4) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
C20 C21 C22 120.6(4) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C21 C22 C17 120.9(4) . . ?
C21 C22 H22 119.6 . . ?
C17 C22 H22 119.6 . . ?
C25 C23 C26 112.0(5) . . ?
C25 C23 C24 107.1(4) . . ?
C26 C23 C24 105.2(4) . . ?
C25 C23 C14 110.7(3) . . ?
C26 C23 C14 110.9(3) . . ?
C24 C23 C14 110.8(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C27 C28 107.9(4) . . ?
C29 C27 C12 112.1(3) . . ?
C28 C27 C12 108.9(4) . . ?
C29 C27 C30 108.7(4) . . ?
C28 C27 C30 109.0(4) . . ?
C12 C27 C30 110.2(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 C31 179.7(10) . . ?
C8 N1 C9 113.1(3) . . ?
C8 N1 Pd1 112.2(2) . . ?
C9 N1 Pd1 112.7(2) . . ?
C15 O1 C16 112.4(2) . . ?
N1 Pd1 Cl1 176.02(8) . . ?
N1 Pd1 Cl2 88.05(8) . . ?
Cl1 Pd1 Cl2 95.06(4) . . ?
N1 Pd1 Se1 88.96(8) . . ?
Cl1 Pd1 Se1 87.98(3) . . ?
Cl2 Pd1 Se1 176.80(3) . . ?
C6 Se1 C7 97.98(16) . . ?
C6 Se1 Pd1 105.65(10) . . ?
C7 Se1 Pd1 94.24(11) . . ?

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
C6 C1 C2 C3 -0.7(6) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C3 C4 C5 C6 1.0(6) . . . . ?
C2 C1 C6 C5 1.7(6) . . . . ?
C2 C1 C6 Se1 -178.9(3) . . . . ?
C4 C5 C6 C1 -1.8(6) . . . . ?
C4 C5 C6 Se1 178.7(3) . . . . ?
Se1 C7 C8 N1 55.4(4) . . . . ?
N1 C9 C10 C11 60.4(4) . . . . ?
N1 C9 C10 C15 -119.6(3) . . . . ?
C15 C10 C11 C12 1.6(5) . . . . ?
C9 C10 C11 C12 -178.5(3) . . . . ?
C10 C11 C12 C13 2.1(5) . . . . ?
C10 C11 C12 C27 -178.9(4) . . . . ?
C11 C12 C13 C14 -2.4(6) . . . . ?
C27 C12 C13 C14 178.6(4) . . . . ?
C12 C13 C14 C15 -1.1(6) . . . . ?
C12 C13 C14 C23 178.7(4) . . . . ?
C11 C10 C15 O1 175.3(3) . . . . ?
C9 C10 C15 O1 -4.6(5) . . . . ?
C11 C10 C15 C14 -5.4(5) . . . . ?
C9 C10 C15 C14 174.7(3) . . . . ?
C13 C14 C15 C10 5.0(5) . . . . ?
C23 C14 C15 C10 -174.7(3) . . . . ?
C13 C14 C15 O1 -175.7(3) . . . . ?
C23 C14 C15 O1 4.6(5) . . . . ?
O1 C16 C17 C18 -102.4(4) . . . . ?
O1 C16 C17 C22 78.6(4) . . . . ?
C22 C17 C18 C19 1.0(6) . . . . ?
C16 C17 C18 C19 -178.0(3) . . . . ?
C17 C18 C19 C20 0.0(6) . . . . ?
C18 C19 C20 C21 -1.2(7) . . . . ?
C19 C20 C21 C22 1.4(7) . . . . ?
C20 C21 C22 C17 -0.3(7) . . . . ?
C18 C17 C22 C21 -0.8(6) . . . . ?
C16 C17 C22 C21 178.2(4) . . . . ?
C13 C14 C23 C25 103.9(5) . . . . ?
C15 C14 C23 C25 -76.4(5) . . . . ?
C13 C14 C23 C26 -131.1(4) . . . . ?
C15 C14 C23 C26 48.6(5) . . . . ?
C13 C14 C23 C24 -14.8(5) . . . . ?
C15 C14 C23 C24 165.0(4) . . . . ?
C11 C12 C27 C29 5.3(6) . . . . ?
C13 C12 C27 C29 -175.7(4) . . . . ?
C11 C12 C27 C28 -113.9(5) . . . . ?
C13 C12 C27 C28 65.0(5) . . . . ?
C11 C12 C27 C30 126.5(4) . . . . ?
C13 C12 C27 C30 -54.6(5) . . . . ?
C7 C8 N1 C9 78.6(4) . . . . ?
C7 C8 N1 Pd1 -50.2(3) . . . . ?
C10 C9 N1 C8 75.6(4) . . . . ?
C10 C9 N1 Pd1 -155.8(2) . . . . ?
C10 C15 O1 C16 -78.2(4) . . . . ?
C14 C15 O1 C16 102.5(4) . . . . ?
C17 C16 O1 C15 173.6(3) . . . . ?
C8 N1 Pd1 Cl1 -19.1(13) . . . . ?
C9 N1 Pd1 Cl1 -148.2(11) . . . . ?
C8 N1 Pd1 Cl2 -160.5(2) . . . . ?
C9 N1 Pd1 Cl2 70.4(2) . . . . ?
C8 N1 Pd1 Se1 20.6(2) . . . . ?
C9 N1 Pd1 Se1 -108.4(2) . . . . ?
C1 C6 Se1 C7 84.3(3) . . . . ?
C5 C6 Se1 C7 -96.2(3) . . . . ?
C1 C6 Se1 Pd1 -12.4(3) . . . . ?
C5 C6 Se1 Pd1 167.1(3) . . . . ?
C8 C7 Se1 C6 -139.2(3) . . . . ?
C8 C7 Se1 Pd1 -32.7(3) . . . . ?
N1 Pd1 Se1 C6 105.95(13) . . . . ?
Cl1 Pd1 Se1 C6 -76.59(11) . . . . ?
Cl2 Pd1 Se1 C6 85.3(5) . . . . ?
N1 Pd1 Se1 C7 6.43(15) . . . . ?
Cl1 Pd1 Se1 C7 -176.11(13) . . . . ?
Cl2 Pd1 Se1 C7 -14.3(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.659
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.080
_database_code_depnum_ccdc_archive 'CCDC 1009785'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_uk-11
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H30 Cl N O Pd Se'
_chemical_formula_sum            'C23 H30 Cl N O Pd Se'
_chemical_formula_weight         557.29

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.9228(4)
_cell_length_b                   10.0631(4)
_cell_length_c                   43.0466(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4731.5(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3641
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      1.565
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2240
_exptl_absorpt_coefficient_mu    2.449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_T_max  0.586
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17970
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4159
_reflns_number_gt                3702
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0308P)²+8.0910P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4153
_refine_ls_number_parameters     259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1040
_refine_ls_wR_factor_gt          0.1014
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_restrained_S_all      1.302
_refine_ls_shift/su_max          0.000
_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
C1 C 0.2530(6) 0.5669(6) -0.00087(15) 0.0697(17) Uani 1 1 d . . .
H1 H 0.3194 0.5116 0.0032 0.084 Uiso 1 1 calc R . .
C2 C 0.2489(7) 0.6423(8) -0.02797(15) 0.0794(19) Uani 1 1 d . . .
H2 H 0.3130 0.6370 -0.0421 0.095 Uiso 1 1 calc R . .
C3 C 0.1513(7) 0.7244(7) -0.03404(14) 0.0734(18) Uani 1 1 d . . .
H3 H 0.1505 0.7766 -0.0519 0.088 Uiso 1 1 calc R . .
C4 C 0.0557(6) 0.7290(6) -0.01375(13) 0.0654(16) Uani 1 1 d . . .
H4 H -0.0117 0.7822 -0.0182 0.078 Uiso 1 1 calc R . .
C5 C 0.0581(5) 0.6553(6) 0.01330(12) 0.0570(14) Uani 1 1 d . . .
H5 H -0.0072 0.6597 0.0271 0.068 Uiso 1 1 calc R . .
C6 C 0.1567(5) 0.5758(5) 0.01974(12) 0.0497(13) Uani 1 1 d . . .
C7 C 0.0278(5) 0.5237(6) 0.08070(14) 0.0655(17) Uani 1 1 d . . .
H7A H -0.0448 0.5179 0.0678 0.079 Uiso 1 1 calc R . .
H7B H 0.0169 0.4643 0.0982 0.079 Uiso 1 1 calc R . .
C8 C 0.0419(5) 0.6652(6) 0.09246(12) 0.0573(15) Uani 1 1 d . . .
H8A H 0.0312 0.7267 0.0753 0.069 Uiso 1 1 calc R . .
H8B H -0.0212 0.6835 0.1077 0.069 Uiso 1 1 calc R . .
C9 C 0.1743(4) 0.7757(6) 0.12747(11) 0.0476(13) Uani 1 1 d . . .
H9 H 0.1028 0.8214 0.1323 0.057 Uiso 1 1 calc R . .
C10 C 0.2809(4) 0.8154(5) 0.14431(11) 0.0405(11) Uani 1 1 d . . .
C11 C 0.2625(5) 0.9045(5) 0.16911(11) 0.0463(12) Uani 1 1 d . . .
H11 H 0.1850 0.9407 0.1721 0.056 Uiso 1 1 calc R . .
C12 C 0.3564(5) 0.9398(5) 0.18924(11) 0.0422(11) Uani 1 1 d . . .
C13 C 0.4706(5) 0.8801(5) 0.18363(11) 0.0436(12) Uani 1 1 d . . .
H13 H 0.5342 0.9006 0.1972 0.052 Uiso 1 1 calc R . .
C14 C 0.4958(4) 0.7941(5) 0.15976(10) 0.0376(11) Uani 1 1 d . . .
C15 C 0.3991(4) 0.7637(5) 0.13852(10) 0.0389(11) Uani 1 1 d . . .
C16 C 0.3398(5) 1.0318(5) 0.21720(13) 0.0533(14) Uani 1 1 d . . .
C17 C 0.2083(6) 1.0849(7) 0.21947(16) 0.0747(19) Uani 1 1 d . . .
H17A H 0.1912 1.1403 0.2018 0.112 Uiso 1 1 calc R . .
H17B H 0.1995 1.1360 0.2382 0.112 Uiso 1 1 calc R . .
H17C H 0.1520 1.0117 0.2198 0.112 Uiso 1 1 calc R . .
C18 C 0.3691(7) 0.9539(6) 0.24681(13) 0.0760(19) Uani 1 1 d . . .
H18A H 0.3099 0.8843 0.2495 0.114 Uiso 1 1 calc R . .
H18B H 0.3665 1.0126 0.2644 0.114 Uiso 1 1 calc R . .
H18C H 0.4494 0.9157 0.2451 0.114 Uiso 1 1 calc R . .
C19 C 0.4268(6) 1.1514(6) 0.21481(15) 0.0732(18) Uani 1 1 d . . .
H19A H 0.5100 1.1206 0.2145 0.110 Uiso 1 1 calc R . .
H19B H 0.4148 1.2087 0.2324 0.110 Uiso 1 1 calc R . .
H19C H 0.4100 1.1996 0.1960 0.110 Uiso 1 1 calc R . .
C20 C 0.6216(4) 0.7273(6) 0.15625(11) 0.0475(13) Uani 1 1 d . . .
C21 C 0.7082(5) 0.7627(7) 0.18307(13) 0.0665(17) Uani 1 1 d . . .
H21A H 0.7271 0.8558 0.1823 0.100 Uiso 1 1 calc R . .
H21B H 0.7824 0.7121 0.1812 0.100 Uiso 1 1 calc R . .
H21C H 0.6694 0.7423 0.2025 0.100 Uiso 1 1 calc R . .
C22 C 0.6825(5) 0.7715(8) 0.12567(13) 0.073(2) Uani 1 1 d . . .
H22A H 0.6333 0.7432 0.1084 0.109 Uiso 1 1 calc R . .
H22B H 0.7624 0.7323 0.1241 0.109 Uiso 1 1 calc R . .
H22C H 0.6898 0.8666 0.1254 0.109 Uiso 1 1 calc R . .
C23 C 0.6041(6) 0.5745(6) 0.15653(16) 0.0761(19) Uani 1 1 d . . .
H23A H 0.5663 0.5482 0.1757 0.114 Uiso 1 1 calc R . .
H23B H 0.6824 0.5318 0.1546 0.114 Uiso 1 1 calc R . .
H23C H 0.5529 0.5488 0.1394 0.114 Uiso 1 1 calc R . .
Cl1 Cl 0.47009(14) 0.48862(14) 0.06431(4) 0.0635(4) Uani 1 1 d . . .
N1 N 0.1637(3) 0.6860(4) 0.10664(10) 0.0446(10) Uani 1 1 d . . .
O1 O 0.4263(3) 0.6908(4) 0.11446(7) 0.0486(9) Uani 1 1 d . . .
Pd1 Pd 0.30675(3) 0.59310(4) 0.087648(8) 0.04009(13) Uani 1 1 d . . .
Se1 Se 0.16938(5) 0.46738(5) 0.056805(15) 0.05829(19) Uani 1 1 d . . .


_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
C1 C6 1.379(8) . ?
C1 C2 1.393(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.374(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.371(7) . ?
C5 H5 0.9300 . ?
C6 Se1 1.938(5) . ?
C7 C8 1.519(8) . ?
C7 Se1 1.942(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N1 1.479(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N1 1.277(7) . ?
C9 C10 1.430(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.409(7) . ?
C10 C15 1.414(6) . ?
C11 C12 1.390(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.405(7) . ?
C12 C16 1.529(7) . ?
C13 C14 1.372(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.430(6) . ?
C14 C20 1.538(7) . ?
C15 O1 1.303(5) . ?
C16 C18 1.531(8) . ?
C16 C17 1.535(8) . ?
C16 C19 1.537(8) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.535(7) . ?
C20 C22 1.541(7) . ?
C20 C23 1.549(8) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
Cl1 Pd1 2.3017(14) . ?
N1 Pd1 1.996(4) . ?
O1 Pd1 2.001(3) . ?
Pd1 Se1 2.3695(7) . ?

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
C6 C1 C2 118.6(6) . . ?
C6 C1 H1 120.7 . . ?
C2 C1 H1 120.7 . . ?
C3 C2 C1 120.8(7) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 119.5(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.6(6) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 119.9(6) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.5(5) . . ?
C5 C6 Se1 123.5(4) . . ?
C1 C6 Se1 116.0(4) . . ?
C8 C7 Se1 111.7(4) . . ?
C8 C7 H7A 109.3 . . ?
Se1 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
Se1 C7 H7B 109.3 . . ?
H7A C7 H7B 107.9 . . ?
N1 C8 C7 111.2(5) . . ?
N1 C8 H8A 109.4 . . ?
C7 C8 H8A 109.4 . . ?
N1 C8 H8B 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 C10 128.8(5) . . ?
N1 C9 H9 115.6 . . ?
C10 C9 H9 115.6 . . ?
C11 C10 C15 119.9(4) . . ?
C11 C10 C9 116.5(5) . . ?
C15 C10 C9 123.5(5) . . ?
C12 C11 C10 122.0(5) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C13 116.0(5) . . ?
C11 C12 C16 123.9(5) . . ?
C13 C12 C16 120.0(5) . . ?
C14 C13 C12 125.2(5) . . ?
C14 C13 H13 117.4 . . ?
C12 C13 H13 117.4 . . ?
C13 C14 C15 117.8(4) . . ?
C13 C14 C20 121.9(4) . . ?
C15 C14 C20 120.3(4) . . ?
O1 C15 C10 123.7(4) . . ?
O1 C15 C14 117.4(4) . . ?
C10 C15 C14 118.9(4) . . ?
C12 C16 C18 108.7(4) . . ?
C12 C16 C17 111.8(5) . . ?
C18 C16 C17 108.8(5) . . ?
C12 C16 C19 110.3(5) . . ?
C18 C16 C19 109.1(5) . . ?
C17 C16 C19 108.1(5) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C14 112.1(4) . . ?
C21 C20 C22 108.0(5) . . ?
C14 C20 C22 110.1(4) . . ?
C21 C20 C23 107.5(5) . . ?
C14 C20 C23 108.9(4) . . ?
C22 C20 C23 110.3(5) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C9 N1 C8 118.1(4) . . ?
C9 N1 Pd1 123.2(3) . . ?
C8 N1 Pd1 118.0(3) . . ?
C15 O1 Pd1 125.9(3) . . ?
N1 Pd1 O1 92.54(16) . . ?
N1 Pd1 Cl1 178.27(12) . . ?
O1 Pd1 Cl1 88.31(10) . . ?
N1 Pd1 Se1 89.07(12) . . ?
O1 Pd1 Se1 177.16(11) . . ?
Cl1 Pd1 Se1 90.14(4) . . ?
C6 Se1 C7 102.4(2) . . ?
C6 Se1 Pd1 101.88(15) . . ?
C7 Se1 Pd1 92.97(17) . . ?

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
C6 C1 C2 C3 0.3(10) . . . . ?
C1 C2 C3 C4 -2.0(10) . . . . ?
C2 C3 C4 C5 2.2(10) . . . . ?
C3 C4 C5 C6 -0.6(9) . . . . ?
C4 C5 C6 C1 -1.1(8) . . . . ?
C4 C5 C6 Se1 -179.6(4) . . . . ?
C2 C1 C6 C5 1.3(9) . . . . ?
C2 C1 C6 Se1 179.8(5) . . . . ?
Se1 C7 C8 N1 -47.1(5) . . . . ?
N1 C9 C10 C11 -171.3(5) . . . . ?
N1 C9 C10 C15 4.6(8) . . . . ?
C15 C10 C11 C12 -2.8(7) . . . . ?
C9 C10 C11 C12 173.2(5) . . . . ?
C10 C11 C12 C13 -0.8(7) . . . . ?
C10 C11 C12 C16 -177.6(4) . . . . ?
C11 C12 C13 C14 1.7(7) . . . . ?
C16 C12 C13 C14 178.6(4) . . . . ?
C12 C13 C14 C15 1.0(7) . . . . ?
C12 C13 C14 C20 -176.7(4) . . . . ?
C11 C10 C15 O1 -173.5(4) . . . . ?
C9 C10 C15 O1 10.8(7) . . . . ?
C11 C10 C15 C14 5.5(7) . . . . ?
C9 C10 C15 C14 -170.2(4) . . . . ?
C13 C14 C15 O1 174.5(4) . . . . ?
C20 C14 C15 O1 -7.8(6) . . . . ?
C13 C14 C15 C10 -4.5(6) . . . . ?
C20 C14 C15 C10 173.2(4) . . . . ?
C11 C12 C16 C18 117.6(6) . . . . ?
C13 C12 C16 C18 -59.0(6) . . . . ?
C11 C12 C16 C17 -2.5(7) . . . . ?
C13 C12 C16 C17 -179.1(5) . . . . ?
C11 C12 C16 C19 -122.8(5) . . . . ?
C13 C12 C16 C19 60.5(6) . . . . ?
C13 C14 C20 C21 3.2(7) . . . . ?
C15 C14 C20 C21 -174.4(5) . . . . ?
C13 C14 C20 C22 -117.1(5) . . . . ?
C15 C14 C20 C22 65.3(6) . . . . ?
C13 C14 C20 C23 121.9(5) . . . . ?
C15 C14 C20 C23 -55.7(6) . . . . ?
C10 C9 N1 C8 -179.4(5) . . . . ?
C10 C9 N1 Pd1 -9.4(7) . . . . ?
C7 C8 N1 C9 -153.4(5) . . . . ?
C7 C8 N1 Pd1 36.1(6) . . . . ?
C10 C15 O1 Pd1 -18.5(6) . . . . ?
C14 C15 O1 Pd1 162.5(3) . . . . ?
C9 N1 Pd1 O1 2.1(4) . . . . ?
C8 N1 Pd1 O1 172.1(4) . . . . ?
C9 N1 Pd1 Cl1 -117(4) . . . . ?
C8 N1 Pd1 Cl1 53(5) . . . . ?
C9 N1 Pd1 Se1 179.7(4) . . . . ?
C8 N1 Pd1 Se1 -10.2(4) . . . . ?
C15 O1 Pd1 N1 11.3(4) . . . . ?
C15 O1 Pd1 Cl1 -170.2(4) . . . . ?
C15 O1 Pd1 Se1 -113.2(19) . . . . ?
C5 C6 Se1 C7 -7.4(5) . . . . ?
C1 C6 Se1 C7 174.1(4) . . . . ?
C5 C6 Se1 Pd1 -103.2(4) . . . . ?
C1 C6 Se1 Pd1 78.3(4) . . . . ?
C8 C7 Se1 C6 -69.0(4) . . . . ?
C8 C7 Se1 Pd1 33.9(4) . . . . ?
N1 Pd1 Se1 C6 91.2(2) . . . . ?
O1 Pd1 Se1 C6 -144.1(19) . . . . ?
Cl1 Pd1 Se1 C6 -87.22(18) . . . . ?
N1 Pd1 Se1 C7 -12.1(2) . . . . ?
O1 Pd1 Se1 C7 112.5(19) . . . . ?
Cl1 Pd1 Se1 C7 169.43(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.401
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.090
_database_code_depnum_ccdc_archive 'CCDC 1009786'
