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

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#
#                 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
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# 
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#  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 
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data_[Pd(\m-OAc)(\m-MesTe)]4(6)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H56 O8 Pd4 Te4'
_chemical_formula_weight         1648.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2


loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.2911(4)
_cell_length_b                   12.0292(5)
_cell_length_c                   13.7289(6)
_cell_angle_alpha                72.307(4)
_cell_angle_beta                 72.599(4)
_cell_angle_gamma                89.423(4)
_cell_volume                     1239.86(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9469
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.6450
_cell_measurement_theta_min      3.5720

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_absorpt_coefficient_mu    30.102
_exptl_absorpt_correction_T_min  0.0742
_exptl_absorpt_correction_T_max  0.3145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21667
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.56
_diffrn_reflns_theta_max         70.07
_reflns_number_total             4648
_reflns_number_gt                3616
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0466P)²+1.0781P] 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         4648
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.0948
_refine_ls_wR_factor_gt          0.0846
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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
C1 C 1.3179(8) 0.6297(6) 0.1662(5) 0.0462(15) Uani 1 1 d . . .
C2 C 1.3585(8) 0.5514(6) 0.2524(5) 0.0492(16) Uani 1 1 d . . .
C3 C 1.3970(8) 0.5932(6) 0.3279(6) 0.0543(17) Uani 1 1 d . . .
H3 H 1.4218 0.5405 0.3858 0.065 Uiso 1 1 calc R . .
C4 C 1.3993(9) 0.7107(7) 0.3189(6) 0.0578(18) Uani 1 1 d . . .
C5 C 1.3710(10) 0.7861(7) 0.2294(6) 0.0619(19) Uani 1 1 d . . .
H5 H 1.3777 0.8659 0.2204 0.074 Uiso 1 1 calc R . .
C6 C 1.3328(9) 0.7498(6) 0.1508(6) 0.0566(18) Uani 1 1 d . . .
C7 C 1.3672(10) 0.4229(6) 0.2668(7) 0.067(2) Uani 1 1 d . . .
H7A H 1.2553 0.3867 0.2839 0.100 Uiso 1 1 calc R . .
H7B H 1.4131 0.3874 0.3243 0.100 Uiso 1 1 calc R . .
H7C H 1.4388 0.4124 0.2015 0.100 Uiso 1 1 calc R . .
C8 C 1.4357(11) 0.7542(8) 0.4013(7) 0.076(2) Uani 1 1 d . . .
H8A H 1.4719 0.8363 0.3708 0.114 Uiso 1 1 calc R . .
H8B H 1.5237 0.7125 0.4246 0.114 Uiso 1 1 calc R . .
H8C H 1.3348 0.7418 0.4617 0.114 Uiso 1 1 calc R . .
C10 C 1.1280(8) 0.3061(6) -0.2470(5) 0.0473(16) Uani 1 1 d . . .
C11 C 1.1359(9) 0.1844(6) -0.2174(5) 0.0524(17) Uani 1 1 d . . .
C12 C 1.1160(10) 0.1265(6) -0.2883(6) 0.0606(19) Uani 1 1 d . . .
H12 H 1.1182 0.0456 -0.2692 0.073 Uiso 1 1 calc R . .
C13 C 1.0931(10) 0.1866(7) -0.3861(6) 0.064(2) Uani 1 1 d . . .
C14 C 1.0977(9) 0.3052(7) -0.4146(6) 0.0602(19) Uani 1 1 d . . .
H14 H 1.0887 0.3464 -0.4818 0.072 Uiso 1 1 calc R . .
C9 C 1.1218(10) 0.5002(6) -0.3888(5) 0.067(2) Uani 1 1 d . . .
H9A H 1.1379 0.5256 -0.4647 0.100 Uiso 1 1 calc R . .
H9B H 1.2145 0.5334 -0.3752 0.100 Uiso 1 1 calc R . .
H9C H 1.0173 0.5255 -0.3523 0.100 Uiso 1 1 calc R . .
C15 C 1.1150(9) 0.3678(6) -0.3479(5) 0.0526(17) Uani 1 1 d . . .
C16 C 1.1719(11) 0.1129(6) -0.1158(6) 0.068(2) Uani 1 1 d . . .
H16A H 1.2717 0.1478 -0.1109 0.102 Uiso 1 1 calc R . .
H16B H 1.1899 0.0345 -0.1176 0.102 Uiso 1 1 calc R . .
H16C H 1.0771 0.1110 -0.0544 0.102 Uiso 1 1 calc R . .
C17 C 1.0699(13) 0.1223(9) -0.4608(8) 0.097(3) Uani 1 1 d . . .
H17A H 0.9541 0.1225 -0.4608 0.146 Uiso 1 1 calc R . .
H17B H 1.0974 0.0430 -0.4367 0.146 Uiso 1 1 calc R . .
H17C H 1.1434 0.1607 -0.5324 0.146 Uiso 1 1 calc R . .
C19 C 0.7038(9) 0.2265(6) 0.2643(5) 0.0525(17) Uani 1 1 d . . .
C20 C 0.5758(11) 0.1407(7) 0.3616(6) 0.072(2) Uani 1 1 d . . .
H20A H 0.5264 0.0848 0.3391 0.108 Uiso 1 1 calc R . .
H20B H 0.4882 0.1826 0.3946 0.108 Uiso 1 1 calc R . .
H20C H 0.6319 0.1005 0.4124 0.108 Uiso 1 1 calc R . .
C18 C 1.3101(11) 0.8432(6) 0.0546(7) 0.071(2) Uani 1 1 d . . .
H18A H 1.3711 0.8263 -0.0100 0.107 Uiso 1 1 calc R . .
H18B H 1.3532 0.9182 0.0519 0.107 Uiso 1 1 calc R . .
H18C H 1.1918 0.8443 0.0607 0.107 Uiso 1 1 calc R . .
C21 C 1.1546(9) 0.1933(6) 0.1648(6) 0.0531(17) Uani 1 1 d . . .
C22 C 1.2667(12) 0.1007(8) 0.2016(8) 0.094(3) Uani 1 1 d . . .
H22A H 1.2485 0.0847 0.2771 0.141 Uiso 1 1 calc R . .
H22B H 1.3834 0.1281 0.1626 0.141 Uiso 1 1 calc R . .
H22C H 1.2393 0.0304 0.1884 0.141 Uiso 1 1 calc R . .
O1 O 0.7717(7) 0.3061(4) 0.2813(4) 0.0708(15) Uani 1 1 d . . .
O2 O 0.7250(7) 0.2103(5) 0.1769(4) 0.0733(16) Uani 1 1 d . . .
O3 O 1.1333(9) 0.2718(5) 0.2063(6) 0.092(2) Uani 1 1 d . . .
O4 O 1.0886(8) 0.1805(5) 0.1002(4) 0.0796(18) Uani 1 1 d . . .
Pd1 Pd 0.99259(7) 0.41795(4) 0.17610(4) 0.04846(15) Uani 1 1 d . . .
Pd2 Pd 0.92617(7) 0.29379(4) 0.03518(4) 0.04838(15) Uani 1 1 d . . .
Te1 Te 1.24922(6) 0.56067(4) 0.05557(3) 0.04938(14) Uani 1 1 d . . .
Te2 Te 1.15765(5) 0.39556(3) -0.13842(3) 0.04479(13) 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 1.395(9) . ?
C1 C2 1.399(9) . ?
C1 Te1 2.149(7) . ?
C2 C3 1.396(10) . ?
C2 C7 1.501(9) . ?
C3 C4 1.381(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(10) . ?
C4 C8 1.487(10) . ?
C5 C6 1.396(10) . ?
C5 H5 0.9300 . ?
C6 C18 1.511(9) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 C15 1.395(9) . ?
C10 C11 1.402(9) . ?
C10 Te2 2.154(7) . ?
C11 C12 1.404(10) . ?
C11 C16 1.513(9) . ?
C12 C13 1.386(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.359(10) . ?
C13 C17 1.513(10) . ?
C14 C15 1.387(10) . ?
C14 H14 0.9300 . ?
C9 C15 1.515(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C19 O1 1.231(8) . ?
C19 O2 1.235(8) . ?
C19 C20 1.520(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C21 O4 1.219(9) . ?
C21 O3 1.229(9) . ?
C21 C22 1.509(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
O1 Pd1 2.130(5) . ?
O2 Pd2 2.117(5) . ?
O3 Pd1 2.104(5) . ?
O4 Pd2 2.100(5) . ?
Pd1 Te1 2.5404(7) . ?
Pd1 Te2 2.5448(6) 2_765 ?
Pd1 Pd2 2.9474(7) . ?
Pd2 Te2 2.5299(6) . ?
Pd2 Te1 2.5374(7) 2_765 ?
Te1 Pd2 2.5374(7) 2_765 ?
Te2 Pd1 2.5448(6) 2_765 ?

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 119.6(6) . . ?
C6 C1 Te1 122.0(5) . . ?
C2 C1 Te1 118.2(5) . . ?
C3 C2 C1 119.5(6) . . ?
C3 C2 C7 117.5(6) . . ?
C1 C2 C7 123.0(7) . . ?
C4 C3 C2 121.7(7) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C5 C4 C3 117.2(7) . . ?
C5 C4 C8 121.3(7) . . ?
C3 C4 C8 121.4(7) . . ?
C4 C5 C6 123.7(7) . . ?
C4 C5 H5 118.2 . . ?
C6 C5 H5 118.2 . . ?
C1 C6 C5 117.9(7) . . ?
C1 C6 C18 124.3(7) . . ?
C5 C6 C18 117.8(7) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C15 C10 C11 120.3(6) . . ?
C15 C10 Te2 121.3(5) . . ?
C11 C10 Te2 118.2(5) . . ?
C10 C11 C12 117.9(7) . . ?
C10 C11 C16 123.7(7) . . ?
C12 C11 C16 118.3(6) . . ?
C13 C12 C11 121.9(7) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C14 C13 C12 118.0(7) . . ?
C14 C13 C17 120.9(8) . . ?
C12 C13 C17 121.0(8) . . ?
C13 C14 C15 123.0(7) . . ?
C13 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
C15 C9 H9A 109.5 . . ?
C15 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C15 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C14 C15 C10 118.6(7) . . ?
C14 C15 C9 118.5(6) . . ?
C10 C15 C9 122.9(6) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O1 C19 O2 127.3(7) . . ?
O1 C19 C20 116.1(7) . . ?
O2 C19 C20 116.5(7) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C6 C18 H18A 109.5 . . ?
C6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O4 C21 O3 126.3(7) . . ?
O4 C21 C22 116.9(7) . . ?
O3 C21 C22 116.8(7) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 O1 Pd1 126.7(5) . . ?
C19 O2 Pd2 124.4(5) . . ?
C21 O3 Pd1 128.9(5) . . ?
C21 O4 Pd2 125.7(5) . . ?
O3 Pd1 O1 87.7(2) . . ?
O3 Pd1 Te1 94.85(19) . . ?
O1 Pd1 Te1 176.59(15) . . ?
O3 Pd1 Te2 175.54(17) . 2_765 ?
O1 Pd1 Te2 96.00(15) . 2_765 ?
Te1 Pd1 Te2 81.347(19) . 2_765 ?
O3 Pd1 Pd2 78.15(16) . . ?
O1 Pd1 Pd2 78.85(14) . . ?
Te1 Pd1 Pd2 103.86(2) . . ?
Te2 Pd1 Pd2 104.96(2) 2_765 . ?
O4 Pd2 O2 88.3(2) . . ?
O4 Pd2 Te2 93.78(17) . . ?
O2 Pd2 Te2 177.60(15) . . ?
O4 Pd2 Te1 175.42(18) . 2_765 ?
O2 Pd2 Te1 96.20(16) . 2_765 ?
Te2 Pd2 Te1 81.694(19) . 2_765 ?
O4 Pd2 Pd1 80.91(15) . . ?
O2 Pd2 Pd1 81.13(14) . . ?
Te2 Pd2 Pd1 100.30(2) . . ?
Te1 Pd2 Pd1 99.17(2) 2_765 . ?
C1 Te1 Pd2 107.59(18) . 2_765 ?
C1 Te1 Pd1 102.82(17) . . ?
Pd2 Te1 Pd1 93.40(2) 2_765 . ?
C10 Te2 Pd2 103.63(17) . . ?
C10 Te2 Pd1 106.78(18) . 2_765 ?
Pd2 Te2 Pd1 93.47(2) . 2_765 ?

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 6.4(10) . . . . ?
Te1 C1 C2 C3 -177.5(5) . . . . ?
C6 C1 C2 C7 -172.1(7) . . . . ?
Te1 C1 C2 C7 4.1(9) . . . . ?
C1 C2 C3 C4 -1.2(10) . . . . ?
C7 C2 C3 C4 177.3(7) . . . . ?
C2 C3 C4 C5 -3.4(11) . . . . ?
C2 C3 C4 C8 178.3(7) . . . . ?
C3 C4 C5 C6 3.1(12) . . . . ?
C8 C4 C5 C6 -178.6(7) . . . . ?
C2 C1 C6 C5 -6.6(10) . . . . ?
Te1 C1 C6 C5 177.4(5) . . . . ?
C2 C1 C6 C18 173.4(7) . . . . ?
Te1 C1 C6 C18 -2.6(10) . . . . ?
C4 C5 C6 C1 1.9(12) . . . . ?
C4 C5 C6 C18 -178.1(7) . . . . ?
C15 C10 C11 C12 -5.2(10) . . . . ?
Te2 C10 C11 C12 179.8(5) . . . . ?
C15 C10 C11 C16 172.1(7) . . . . ?
Te2 C10 C11 C16 -2.8(9) . . . . ?
C10 C11 C12 C13 1.5(11) . . . . ?
C16 C11 C12 C13 -176.0(7) . . . . ?
C11 C12 C13 C14 2.8(12) . . . . ?
C11 C12 C13 C17 -179.3(8) . . . . ?
C12 C13 C14 C15 -3.5(12) . . . . ?
C17 C13 C14 C15 178.5(8) . . . . ?
C13 C14 C15 C10 -0.1(11) . . . . ?
C13 C14 C15 C9 178.9(7) . . . . ?
C11 C10 C15 C14 4.6(10) . . . . ?
Te2 C10 C15 C14 179.4(5) . . . . ?
C11 C10 C15 C9 -174.3(7) . . . . ?
Te2 C10 C15 C9 0.5(10) . . . . ?
O2 C19 O1 Pd1 -16.8(12) . . . . ?
C20 C19 O1 Pd1 165.2(5) . . . . ?
O1 C19 O2 Pd2 14.5(12) . . . . ?
C20 C19 O2 Pd2 -167.5(5) . . . . ?
O4 C21 O3 Pd1 -4.6(13) . . . . ?
C22 C21 O3 Pd1 178.6(6) . . . . ?
O3 C21 O4 Pd2 2.9(13) . . . . ?
C22 C21 O4 Pd2 179.7(6) . . . . ?
C21 O3 Pd1 O1 82.1(8) . . . . ?
C21 O3 Pd1 Te1 -100.1(8) . . . . ?
C21 O3 Pd1 Te2 -132(2) . . . 2_765 ?
C21 O3 Pd1 Pd2 3.0(7) . . . . ?
C19 O1 Pd1 O3 -69.7(7) . . . . ?
C19 O1 Pd1 Te1 152(2) . . . . ?
C19 O1 Pd1 Te2 112.8(6) . . . 2_765 ?
C19 O1 Pd1 Pd2 8.7(6) . . . . ?
C21 O4 Pd2 O2 -81.7(7) . . . . ?
C21 O4 Pd2 Te2 99.4(7) . . . . ?
C21 O4 Pd2 Te1 90.9(19) . . . 2_765 ?
C21 O4 Pd2 Pd1 -0.4(7) . . . . ?
C19 O2 Pd2 O4 75.8(7) . . . . ?
C19 O2 Pd2 Te2 -132(3) . . . . ?
C19 O2 Pd2 Te1 -103.7(6) . . . 2_765 ?
C19 O2 Pd2 Pd1 -5.3(6) . . . . ?
O3 Pd1 Pd2 O4 -0.9(3) . . . . ?
O1 Pd1 Pd2 O4 -90.9(2) . . . . ?
Te1 Pd1 Pd2 O4 91.19(18) . . . . ?
Te2 Pd1 Pd2 O4 175.77(18) 2_765 . . . ?
O3 Pd1 Pd2 O2 88.8(3) . . . . ?
O1 Pd1 Pd2 O2 -1.2(2) . . . . ?
Te1 Pd1 Pd2 O2 -179.07(17) . . . . ?
Te2 Pd1 Pd2 O2 -94.50(17) 2_765 . . . ?
O3 Pd1 Pd2 Te2 -93.2(2) . . . . ?
O1 Pd1 Pd2 Te2 176.86(16) . . . . ?
Te1 Pd1 Pd2 Te2 -1.02(3) . . . . ?
Te2 Pd1 Pd2 Te2 83.55(2) 2_765 . . . ?
O3 Pd1 Pd2 Te1 -176.3(2) . . . 2_765 ?
O1 Pd1 Pd2 Te1 93.72(16) . . . 2_765 ?
Te1 Pd1 Pd2 Te1 -84.17(2) . . . 2_765 ?
Te2 Pd1 Pd2 Te1 0.41(2) 2_765 . . 2_765 ?
C6 C1 Te1 Pd2 -27.1(6) . . . 2_765 ?
C2 C1 Te1 Pd2 156.9(5) . . . 2_765 ?
C6 C1 Te1 Pd1 -124.9(5) . . . . ?
C2 C1 Te1 Pd1 59.1(5) . . . . ?
O3 Pd1 Te1 C1 -92.4(2) . . . . ?
O1 Pd1 Te1 C1 46(3) . . . . ?
Te2 Pd1 Te1 C1 85.22(18) 2_765 . . . ?
Pd2 Pd1 Te1 C1 -171.41(18) . . . . ?
O3 Pd1 Te1 Pd2 158.66(17) . . . 2_765 ?
O1 Pd1 Te1 Pd2 -63(3) . . . 2_765 ?
Te2 Pd1 Te1 Pd2 -23.69(2) 2_765 . . 2_765 ?
Pd2 Pd1 Te1 Pd2 79.69(2) . . . 2_765 ?
C15 C10 Te2 Pd2 128.2(5) . . . . ?
C11 C10 Te2 Pd2 -56.9(5) . . . . ?
C15 C10 Te2 Pd1 30.3(6) . . . 2_765 ?
C11 C10 Te2 Pd1 -154.8(5) . . . 2_765 ?
O4 Pd2 Te2 C10 96.3(2) . . . . ?
O2 Pd2 Te2 C10 -56(4) . . . . ?
Te1 Pd2 Te2 C10 -84.42(18) 2_765 . . . ?
Pd1 Pd2 Te2 C10 177.70(18) . . . . ?
O4 Pd2 Te2 Pd1 -155.55(16) . . . 2_765 ?
O2 Pd2 Te2 Pd1 53(4) . . . 2_765 ?
Te1 Pd2 Te2 Pd1 23.77(2) 2_765 . . 2_765 ?
Pd1 Pd2 Te2 Pd1 -74.11(2) . . . 2_765 ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        70.07
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.919
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.129
_database_code_depnum_ccdc_archive 'CCDC 996454'
#######################################################################
#
#                 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_exp_[Pd2(\m-Cl)2Cl2(TeMes2)2].2acetone-2a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H56 Cl4 O2 Pd2 Te2'
_chemical_formula_weight         1202.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   9.9444(3)
_cell_length_b                   22.0756(8)
_cell_length_c                   10.5502(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.709(3)
_cell_angle_gamma                90
_cell_volume                     2304.58(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3394
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.6180
_cell_measurement_theta_min      4.0010

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_absorpt_coefficient_mu    18.466
_exptl_absorpt_correction_T_min  0.1682
_exptl_absorpt_correction_T_max  0.2596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7935
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         4.01
_diffrn_reflns_theta_max         69.90
_reflns_number_total             4259
_reflns_number_gt                3132
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0000P)²+51.5712P] 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         4259
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0674
_refine_ls_wR_factor_ref         0.1747
_refine_ls_wR_factor_gt          0.1643
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_restrained_S_all      1.189
_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 0.2209(14) 0.3427(6) 0.8215(11) 0.037(3) Uani 1 1 d . . .
C1S C 0.7385(19) 0.2683(9) 0.3947(19) 0.069(5) Uani 1 1 d . . .
C2 C 0.2783(14) 0.2980(7) 0.9040(13) 0.047(4) Uani 1 1 d . . .
C2S C 0.655(3) 0.2884(11) 0.279(2) 0.134(11) Uani 1 1 d . . .
H2S1 H 0.6244 0.3291 0.2912 0.201 Uiso 1 1 calc R . .
H2S2 H 0.5783 0.2621 0.2634 0.201 Uiso 1 1 calc R . .
H2S3 H 0.7076 0.2872 0.2078 0.201 Uiso 1 1 calc R . .
C3 C 0.2323(17) 0.2390(7) 0.8855(16) 0.058(4) Uani 1 1 d . . .
H008 H 0.2674 0.2087 0.9406 0.070 Uiso 1 1 calc R . .
C3S C 0.797(2) 0.2066(10) 0.398(2) 0.106(8) Uani 1 1 d . . .
H3S1 H 0.8481 0.2000 0.4791 0.160 Uiso 1 1 calc R . .
H3S2 H 0.8548 0.2023 0.3314 0.160 Uiso 1 1 calc R . .
H3S3 H 0.7252 0.1773 0.3868 0.160 Uiso 1 1 calc R . .
C4 C 0.1348(17) 0.2240(7) 0.7865(16) 0.057(4) Uani 1 1 d . . .
C5 C 0.0796(16) 0.2683(7) 0.7082(15) 0.052(4) Uani 1 1 d . . .
H012 H 0.0144 0.2582 0.6422 0.062 Uiso 1 1 calc R . .
C6 C 0.1193(15) 0.3289(7) 0.7254(12) 0.043(3) Uani 1 1 d . . .
C7 C 0.0473(16) 0.3749(7) 0.6376(15) 0.061(5) Uani 1 1 d . . .
H7A H -0.0185 0.3548 0.5794 0.091 Uiso 1 1 calc R . .
H7B H 0.1117 0.3953 0.5905 0.091 Uiso 1 1 calc R . .
H7C H 0.0029 0.4039 0.6868 0.091 Uiso 1 1 calc R . .
C8 C 0.3839(19) 0.3110(8) 1.0145(16) 0.076(6) Uani 1 1 d . . .
H8A H 0.4058 0.3534 1.0157 0.114 Uiso 1 1 calc R . .
H8B H 0.4638 0.2878 1.0046 0.114 Uiso 1 1 calc R . .
H8C H 0.3491 0.3001 1.0930 0.114 Uiso 1 1 calc R . .
C9 C 0.086(2) 0.1588(8) 0.768(2) 0.084(6) Uani 1 1 d . . .
H9A H 0.1347 0.1334 0.8305 0.127 Uiso 1 1 calc R . .
H9B H 0.1017 0.1453 0.6842 0.127 Uiso 1 1 calc R . .
H9C H -0.0088 0.1568 0.7776 0.127 Uiso 1 1 calc R . .
C10 C 0.3231(13) 0.4502(6) 0.6490(13) 0.041(3) Uani 1 1 d . . .
C11 C 0.2438(14) 0.4946(7) 0.5798(13) 0.045(3) Uani 1 1 d . . .
C12 C 0.2597(15) 0.4996(7) 0.4488(14) 0.052(4) Uani 1 1 d . . .
H015 H 0.2086 0.5285 0.4012 0.062 Uiso 1 1 calc R . .
C13 C 0.3459(16) 0.4643(8) 0.3881(14) 0.053(4) Uani 1 1 d . . .
C14 C 0.4258(16) 0.4220(8) 0.4593(16) 0.060(4) Uani 1 1 d . . .
H005 H 0.4864 0.3983 0.4194 0.072 Uiso 1 1 calc R . .
C15 C 0.4158(14) 0.4149(7) 0.5894(12) 0.042(3) Uani 1 1 d . . .
C16 C 0.5050(16) 0.3683(8) 0.6596(17) 0.065(5) Uani 1 1 d . . .
H16A H 0.4885 0.3680 0.7478 0.098 Uiso 1 1 calc R . .
H16B H 0.5980 0.3782 0.6528 0.098 Uiso 1 1 calc R . .
H16C H 0.4855 0.3291 0.6232 0.098 Uiso 1 1 calc R . .
C17 C 0.1453(16) 0.5365(7) 0.6333(16) 0.061(4) Uani 1 1 d . . .
H17A H 0.1439 0.5287 0.7227 0.092 Uiso 1 1 calc R . .
H17B H 0.0567 0.5299 0.5905 0.092 Uiso 1 1 calc R . .
H17C H 0.1721 0.5777 0.6211 0.092 Uiso 1 1 calc R . .
C18 C 0.354(2) 0.4704(10) 0.2445(15) 0.081(6) Uani 1 1 d . . .
H18A H 0.4197 0.4423 0.2182 0.122 Uiso 1 1 calc R . .
H18B H 0.3804 0.5109 0.2252 0.122 Uiso 1 1 calc R . .
H18C H 0.2673 0.4617 0.1999 0.122 Uiso 1 1 calc R . .
O1S O 0.756(2) 0.3016(8) 0.4843(16) 0.133(7) Uani 1 1 d . . .
Cl1 Cl -0.0182(4) 0.43089(16) 0.9490(4) 0.0582(10) Uani 1 1 d . . .
Cl2 Cl 0.3287(4) 0.56815(18) 0.9401(4) 0.0621(10) Uani 1 1 d . . .
Pd1 Pd 0.15402(10) 0.50058(5) 0.94089(10) 0.0393(3) Uani 1 1 d . . .
Te1 Te 0.31446(8) 0.43064(4) 0.84460(8) 0.0377(2) 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 1.391(18) . ?
C1 C2 1.400(18) . ?
C1 Te1 2.156(13) . ?
C1S O1S 1.20(2) . ?
C1S C2S 1.47(3) . ?
C1S C3S 1.48(3) . ?
C2 C3 1.39(2) . ?
C2 C8 1.52(2) . ?
C2S H2S1 0.9600 . ?
C2S H2S2 0.9600 . ?
C2S H2S3 0.9600 . ?
C3 C4 1.39(2) . ?
C3 H008 0.9300 . ?
C3S H3S1 0.9600 . ?
C3S H3S2 0.9600 . ?
C3S H3S3 0.9600 . ?
C4 C5 1.36(2) . ?
C4 C9 1.52(2) . ?
C5 C6 1.40(2) . ?
C5 H012 0.9300 . ?
C6 C7 1.507(19) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.403(18) . ?
C10 C11 1.414(18) . ?
C10 Te1 2.119(14) . ?
C11 C12 1.412(19) . ?
C11 C17 1.50(2) . ?
C12 C13 1.36(2) . ?
C12 H015 0.9300 . ?
C13 C14 1.40(2) . ?
C13 C18 1.53(2) . ?
C14 C15 1.40(2) . ?
C14 H005 0.9300 . ?
C15 C16 1.50(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
Cl1 Pd1 2.310(4) . ?
Cl1 Pd1 2.403(4) 3_567 ?
Cl2 Pd1 2.290(4) . ?
Pd1 Cl1 2.403(4) 3_567 ?
Pd1 Te1 2.5067(13) . ?

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 121.4(13) . . ?
C6 C1 Te1 123.6(10) . . ?
C2 C1 Te1 114.8(10) . . ?
O1S C1S C2S 119(2) . . ?
O1S C1S C3S 121(2) . . ?
C2S C1S C3S 119(2) . . ?
C3 C2 C1 117.8(14) . . ?
C3 C2 C8 118.6(14) . . ?
C1 C2 C8 123.6(14) . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
C2 C3 C4 121.5(15) . . ?
C2 C3 H008 119.2 . . ?
C4 C3 H008 119.2 . . ?
C1S C3S H3S1 109.5 . . ?
C1S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
C1S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?
C5 C4 C3 119.5(15) . . ?
C5 C4 C9 119.8(16) . . ?
C3 C4 C9 120.6(16) . . ?
C4 C5 C6 121.1(14) . . ?
C4 C5 H012 119.5 . . ?
C6 C5 H012 119.5 . . ?
C1 C6 C5 118.6(13) . . ?
C1 C6 C7 124.5(13) . . ?
C5 C6 C7 116.9(13) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 120.8(13) . . ?
C15 C10 Te1 114.5(10) . . ?
C11 C10 Te1 124.7(10) . . ?
C12 C11 C10 116.6(14) . . ?
C12 C11 C17 117.5(13) . . ?
C10 C11 C17 125.8(13) . . ?
C13 C12 C11 123.5(15) . . ?
C13 C12 H015 118.3 . . ?
C11 C12 H015 118.3 . . ?
C12 C13 C14 118.7(14) . . ?
C12 C13 C18 120.8(17) . . ?
C14 C13 C18 120.5(16) . . ?
C15 C14 C13 120.8(15) . . ?
C15 C14 H005 119.6 . . ?
C13 C14 H005 119.6 . . ?
C14 C15 C10 119.5(14) . . ?
C14 C15 C16 117.8(14) . . ?
C10 C15 C16 122.8(12) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Pd1 Cl1 Pd1 93.04(13) . 3_567 ?
Cl2 Pd1 Cl1 177.78(17) . . ?
Cl2 Pd1 Cl1 93.13(14) . 3_567 ?
Cl1 Pd1 Cl1 86.96(13) . 3_567 ?
Cl2 Pd1 Te1 83.47(11) . . ?
Cl1 Pd1 Te1 96.25(10) . . ?
Cl1 Pd1 Te1 174.08(12) 3_567 . ?
C10 Te1 C1 97.6(5) . . ?
C10 Te1 Pd1 111.0(4) . . ?
C1 Te1 Pd1 108.4(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
C6 C1 C2 C3 1(2) . . . . ?
Te1 C1 C2 C3 -173.4(11) . . . . ?
C6 C1 C2 C8 -176.8(15) . . . . ?
Te1 C1 C2 C8 8.7(19) . . . . ?
C1 C2 C3 C4 2(2) . . . . ?
C8 C2 C3 C4 179.6(16) . . . . ?
C2 C3 C4 C5 -2(3) . . . . ?
C2 C3 C4 C9 179.9(16) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C9 C4 C5 C6 178.0(16) . . . . ?
C2 C1 C6 C5 -3(2) . . . . ?
Te1 C1 C6 C5 170.9(11) . . . . ?
C2 C1 C6 C7 176.5(14) . . . . ?
Te1 C1 C6 C7 -9(2) . . . . ?
C4 C5 C6 C1 3(2) . . . . ?
C4 C5 C6 C7 -177.1(15) . . . . ?
C15 C10 C11 C12 2(2) . . . . ?
Te1 C10 C11 C12 -177.5(10) . . . . ?
C15 C10 C11 C17 -177.8(14) . . . . ?
Te1 C10 C11 C17 3(2) . . . . ?
C10 C11 C12 C13 0(2) . . . . ?
C17 C11 C12 C13 179.9(15) . . . . ?
C11 C12 C13 C14 -2(2) . . . . ?
C11 C12 C13 C18 177.5(14) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C18 C13 C14 C15 -177.9(14) . . . . ?
C13 C14 C15 C10 1(2) . . . . ?
C13 C14 C15 C16 179.9(14) . . . . ?
C11 C10 C15 C14 -2(2) . . . . ?
Te1 C10 C15 C14 177.2(11) . . . . ?
C11 C10 C15 C16 178.3(14) . . . . ?
Te1 C10 C15 C16 -2.0(18) . . . . ?
Pd1 Cl1 Pd1 Cl2 92(4) 3_567 . . . ?
Pd1 Cl1 Pd1 Cl1 0.0 3_567 . . 3_567 ?
Pd1 Cl1 Pd1 Te1 175.01(12) 3_567 . . . ?
C15 C10 Te1 C1 -69.8(11) . . . . ?
C11 C10 Te1 C1 109.9(12) . . . . ?
C15 C10 Te1 Pd1 177.1(9) . . . . ?
C11 C10 Te1 Pd1 -3.2(13) . . . . ?
C6 C1 Te1 C10 -39.0(12) . . . . ?
C2 C1 Te1 C10 135.4(10) . . . . ?
C6 C1 Te1 Pd1 76.1(11) . . . . ?
C2 C1 Te1 Pd1 -109.4(10) . . . . ?
Cl2 Pd1 Te1 C10 -77.5(4) . . . . ?
Cl1 Pd1 Te1 C10 104.7(4) . . . . ?
Cl1 Pd1 Te1 C10 -132.7(11) 3_567 . . . ?
Cl2 Pd1 Te1 C1 176.4(4) . . . . ?
Cl1 Pd1 Te1 C1 -1.4(4) . . . . ?
Cl1 Pd1 Te1 C1 121.3(11) 3_567 . . . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        69.90
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         1.330
_refine_diff_density_min         -1.243
_refine_diff_density_rms         0.172
_database_code_depnum_ccdc_archive 'CCDC 996455'
#######################################################################
#
#                 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_[Pd2(\m-OAc)2{o-tolTe(C6H2(4,6-Me)2CH2}2](5b)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H40 O4 Pd2 Te2'
_chemical_formula_weight         1004.68

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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14

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                   12.2913(3)
_cell_length_b                   17.9732(5)
_cell_length_c                   16.5408(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.904(3)
_cell_angle_gamma                90
_cell_volume                     3575.50(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5260
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.3160
_cell_measurement_theta_min      3.6660

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_exptl_absorpt_coefficient_mu    21.018
_exptl_absorpt_correction_T_min  0.7423
_exptl_absorpt_correction_T_max  0.8793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13183
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0805
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_max         69.879
_diffrn_reflns_theta_min         3.675
_reflns_number_total             6614
_reflns_number_gt                4494
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0739P)²+32.1938P] 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         6614
_refine_ls_number_parameters     405
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0704
_refine_ls_wR_factor_ref         0.1972
_refine_ls_wR_factor_gt          0.1732
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_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
O2 O 1.0530(8) 0.2703(7) -0.1998(6) 0.076(3) Uani 1 1 d . . .
O1 O 1.2330(8) 0.2951(7) -0.1763(6) 0.079(3) Uani 1 1 d . . .
C17 C 0.9802(9) 0.2764(7) 0.0906(8) 0.048(3) Uani 1 1 d . . .
O3 O 1.0805(10) 0.1116(6) -0.1328(7) 0.078(3) Uani 1 1 d . . .
C18 C 1.0021(10) 0.3343(8) 0.0412(9) 0.055(3) Uani 1 1 d . . .
O4 O 1.2609(9) 0.1312(6) -0.1294(6) 0.074(3) Uani 1 1 d . . .
C10 C 1.4795(10) 0.3694(7) 0.0479(8) 0.048(3) Uani 1 1 d . . .
C34 C 1.1205(13) 0.3416(9) -0.2982(8) 0.074(4) Uani 1 1 d . . .
H34A H 1.1301 0.3084 -0.3416 0.111 Uiso 1 1 calc R . .
H34B H 1.1748 0.3806 -0.2927 0.111 Uiso 1 1 calc R . .
H34C H 1.0472 0.3627 -0.3112 0.111 Uiso 1 1 calc R . .
C26 C 0.8118(11) 0.1528(7) -0.0039(8) 0.051(3) Uani 1 1 d . . .
C22 C 0.9688(11) 0.2875(8) 0.1731(8) 0.057(3) Uani 1 1 d . . .
C33 C 1.1350(12) 0.2991(8) -0.2181(8) 0.054(3) Uani 1 1 d . . .
C35 C 1.1742(16) 0.0933(8) -0.1441(8) 0.063(4) Uani 1 1 d . . .
C11 C 1.5231(10) 0.4023(7) -0.0136(8) 0.048(3) Uani 1 1 d . . .
C27 C 0.7751(11) 0.0859(7) -0.0384(8) 0.053(3) Uani 1 1 d . . .
C2 C 1.2993(11) 0.2067(8) 0.1190(8) 0.054(3) Uani 1 1 d . . .
C3 C 1.2715(12) 0.1597(9) 0.1795(8) 0.065(4) Uani 1 1 d . . .
H3 H 1.2653 0.1088 0.1700 0.078 Uiso 1 1 calc R . .
C7 C 1.3243(13) 0.1771(9) 0.0408(8) 0.067(4) Uani 1 1 d . . .
H7A H 1.2914 0.1279 0.0324 0.080 Uiso 1 1 calc R . .
H7B H 1.4042 0.1705 0.0496 0.080 Uiso 1 1 calc R . .
C12 C 1.6356(12) 0.4188(7) 0.0020(9) 0.062(4) Uani 1 1 d . . .
H12 H 1.6660 0.4421 -0.0384 0.075 Uiso 1 1 calc R . .
C6 C 1.2905(11) 0.3133(8) 0.2096(9) 0.059(4) Uani 1 1 d . . .
C13 C 1.7038(12) 0.4005(9) 0.0779(10) 0.071(4) Uani 1 1 d . . .
H13 H 1.7794 0.4113 0.0872 0.085 Uiso 1 1 calc R . .
C1 C 1.3027(11) 0.2817(8) 0.1337(8) 0.054(3) Uani 1 1 d . . .
C31 C 0.7376(12) 0.2103(8) 0.0036(8) 0.061(4) Uani 1 1 d . . .
H31 H 0.7642 0.2554 0.0272 0.073 Uiso 1 1 calc R . .
C14 C 1.6607(12) 0.3669(8) 0.1390(9) 0.062(4) Uani 1 1 d . . .
H14 H 1.7059 0.3550 0.1896 0.075 Uiso 1 1 calc R . .
C28 C 0.6589(11) 0.0766(9) -0.0650(9) 0.065(4) Uani 1 1 d . . .
H28 H 0.6314 0.0315 -0.0884 0.078 Uiso 1 1 calc R . .
C19 C 1.0140(12) 0.4053(7) 0.0751(10) 0.063(4) Uani 1 1 d . . .
H19 H 1.0287 0.4449 0.0427 0.076 Uiso 1 1 calc R . .
C23 C 1.0014(12) 0.3199(8) -0.0498(8) 0.064(4) Uani 1 1 d . . .
H23A H 1.0521 0.3554 -0.0664 0.076 Uiso 1 1 calc R . .
H23B H 0.9276 0.3320 -0.0806 0.076 Uiso 1 1 calc R . .
C21 C 0.9788(13) 0.3602(8) 0.2018(9) 0.066(4) Uani 1 1 d . . .
H21 H 0.9676 0.3699 0.2547 0.079 Uiso 1 1 calc R . .
C16 C 1.4526(11) 0.4208(8) -0.0981(8) 0.063(4) Uani 1 1 d . . .
H16A H 1.4252 0.3756 -0.1260 0.094 Uiso 1 1 calc R . .
H16B H 1.4970 0.4471 -0.1301 0.094 Uiso 1 1 calc R . .
H16C H 1.3910 0.4515 -0.0914 0.094 Uiso 1 1 calc R . .
C15 C 1.5483(12) 0.3515(7) 0.1230(8) 0.058(3) Uani 1 1 d . . .
H15 H 1.5179 0.3284 0.1635 0.069 Uiso 1 1 calc R . .
C29 C 0.5858(11) 0.1326(10) -0.0571(9) 0.067(4) Uani 1 1 d . . .
H29 H 0.5098 0.1249 -0.0742 0.080 Uiso 1 1 calc R . .
C9 C 1.3017(12) 0.3950(9) 0.2261(9) 0.074(4) Uani 1 1 d . . .
H9A H 1.2531 0.4095 0.2619 0.111 Uiso 1 1 calc R . .
H9B H 1.2821 0.4217 0.1749 0.111 Uiso 1 1 calc R . .
H9C H 1.3772 0.4063 0.2521 0.111 Uiso 1 1 calc R . .
C5 C 1.2628(12) 0.2636(10) 0.2657(9) 0.069(4) Uani 1 1 d . . .
H5 H 1.2498 0.2823 0.3153 0.082 Uiso 1 1 calc R . .
C4 C 1.2532(12) 0.1883(10) 0.2529(9) 0.066(4) Uani 1 1 d . . .
C30 C 0.6244(12) 0.1998(9) -0.0241(8) 0.065(4) Uani 1 1 d . . .
H30 H 0.5749 0.2381 -0.0204 0.078 Uiso 1 1 calc R . .
C25 C 0.9431(14) 0.2263(8) 0.2272(9) 0.075(4) Uani 1 1 d . . .
H25A H 0.9445 0.2454 0.2816 0.112 Uiso 1 1 calc R . .
H25B H 0.9976 0.1876 0.2302 0.112 Uiso 1 1 calc R . .
H25C H 0.8706 0.2066 0.2046 0.112 Uiso 1 1 calc R . .
C32 C 0.8533(12) 0.0247(7) -0.0478(9) 0.067(4) Uani 1 1 d . . .
H32A H 0.9115 0.0439 -0.0727 0.100 Uiso 1 1 calc R . .
H32B H 0.8138 -0.0137 -0.0823 0.100 Uiso 1 1 calc R . .
H32C H 0.8851 0.0044 0.0055 0.100 Uiso 1 1 calc R . .
C20 C 1.0045(12) 0.4187(8) 0.1553(10) 0.068(4) Uani 1 1 d . . .
C8 C 1.2190(14) 0.1381(10) 0.3167(9) 0.081(5) Uani 1 1 d . . .
H8A H 1.2813 0.1083 0.3426 0.121 Uiso 1 1 calc R . .
H8B H 1.1594 0.1063 0.2903 0.121 Uiso 1 1 calc R . .
H8C H 1.1946 0.1679 0.3578 0.121 Uiso 1 1 calc R . .
C24 C 1.0138(17) 0.4973(9) 0.1894(12) 0.102(6) Uani 1 1 d . . .
H24A H 1.0457 0.5290 0.1537 0.152 Uiso 1 1 calc R . .
H24B H 1.0604 0.4974 0.2436 0.152 Uiso 1 1 calc R . .
H24C H 0.9412 0.5153 0.1923 0.152 Uiso 1 1 calc R . .
C36 C 1.1829(19) 0.0161(9) -0.1799(11) 0.111(7) Uani 1 1 d . . .
H36A H 1.2484 -0.0082 -0.1499 0.167 Uiso 1 1 calc R . .
H36B H 1.1871 0.0203 -0.2370 0.167 Uiso 1 1 calc R . .
H36C H 1.1185 -0.0125 -0.1753 0.167 Uiso 1 1 calc R . .
Te2 Te 0.98747(7) 0.16985(5) 0.03924(5) 0.0484(2) Uani 1 1 d . . .
Te1 Te 1.30699(7) 0.34499(5) 0.02629(5) 0.0507(3) Uani 1 1 d . . .
Pd1 Pd 1.27744(8) 0.23244(6) -0.06418(6) 0.0494(3) Uani 1 1 d . . .
Pd2 Pd 1.04044(8) 0.21924(6) -0.08809(6) 0.0528(3) 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
O2 C33 1.225(16) . ?
O2 Pd2 2.097(10) . ?
O1 C33 1.261(15) . ?
O1 Pd1 2.142(10) . ?
C17 C18 1.383(17) . ?
C17 C22 1.414(17) . ?
C17 Te2 2.104(12) . ?
O3 C35 1.248(18) . ?
O3 Pd2 2.164(10) . ?
C18 C19 1.389(19) . ?
C18 C23 1.527(18) . ?
O4 C35 1.246(18) . ?
O4 Pd1 2.103(11) . ?
C10 C11 1.378(17) . ?
C10 C15 1.388(17) . ?
C10 Te1 2.122(12) . ?
C34 C33 1.507(18) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C26 C27 1.368(17) . ?
C26 C31 1.401(18) . ?
C26 Te2 2.152(13) . ?
C22 C21 1.39(2) . ?
C22 C25 1.493(19) . ?
C35 C36 1.52(2) . ?
C11 C12 1.386(18) . ?
C11 C16 1.521(17) . ?
C27 C28 1.414(18) . ?
C27 C32 1.490(18) . ?
C2 C1 1.368(19) . ?
C2 C3 1.405(19) . ?
C2 C7 1.489(17) . ?
C3 C4 1.38(2) . ?
C3 H3 0.9300 . ?
C7 Pd1 1.980(15) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C12 C13 1.40(2) . ?
C12 H12 0.9300 . ?
C6 C5 1.38(2) . ?
C6 C1 1.413(17) . ?
C6 C9 1.50(2) . ?
C13 C14 1.37(2) . ?
C13 H13 0.9300 . ?
C1 Te1 2.120(13) . ?
C31 C30 1.385(19) . ?
C31 H31 0.9300 . ?
C14 C15 1.380(18) . ?
C14 H14 0.9300 . ?
C28 C29 1.37(2) . ?
C28 H28 0.9300 . ?
C19 C20 1.38(2) . ?
C19 H19 0.9300 . ?
C23 Pd2 2.007(14) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C21 C20 1.38(2) . ?
C21 H21 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15 H15 0.9300 . ?
C29 C30 1.37(2) . ?
C29 H29 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C5 C4 1.37(2) . ?
C5 H5 0.9300 . ?
C4 C8 1.513(19) . ?
C30 H30 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C20 C24 1.52(2) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
Te2 Pd2 2.4926(13) . ?
Te1 Pd1 2.4979(13) . ?
Pd1 Pd2 2.8677(14) . ?

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
C33 O2 Pd2 128.0(9) . . ?
C33 O1 Pd1 123.3(9) . . ?
C18 C17 C22 122.2(13) . . ?
C18 C17 Te2 114.7(10) . . ?
C22 C17 Te2 122.6(10) . . ?
C35 O3 Pd2 124.7(10) . . ?
C17 C18 C19 118.1(13) . . ?
C17 C18 C23 119.5(13) . . ?
C19 C18 C23 122.2(12) . . ?
C35 O4 Pd1 124.2(9) . . ?
C11 C10 C15 120.2(12) . . ?
C11 C10 Te1 119.4(9) . . ?
C15 C10 Te1 120.4(10) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C27 C26 C31 121.4(13) . . ?
C27 C26 Te2 119.1(10) . . ?
C31 C26 Te2 119.5(10) . . ?
C21 C22 C17 116.4(13) . . ?
C21 C22 C25 120.2(13) . . ?
C17 C22 C25 123.3(13) . . ?
O2 C33 O1 125.6(13) . . ?
O2 C33 C34 118.5(13) . . ?
O1 C33 C34 116.0(13) . . ?
O4 C35 O3 127.2(13) . . ?
O4 C35 C36 116.7(16) . . ?
O3 C35 C36 116.0(17) . . ?
C10 C11 C12 118.6(12) . . ?
C10 C11 C16 122.6(12) . . ?
C12 C11 C16 118.8(12) . . ?
C26 C27 C28 117.3(13) . . ?
C26 C27 C32 121.9(12) . . ?
C28 C27 C32 120.8(12) . . ?
C1 C2 C3 117.9(12) . . ?
C1 C2 C7 120.2(13) . . ?
C3 C2 C7 121.9(13) . . ?
C4 C3 C2 120.8(15) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C2 C7 Pd1 120.5(11) . . ?
C2 C7 H7A 107.2 . . ?
Pd1 C7 H7A 107.2 . . ?
C2 C7 H7B 107.2 . . ?
Pd1 C7 H7B 107.2 . . ?
H7A C7 H7B 106.8 . . ?
C11 C12 C13 120.5(13) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C5 C6 C1 115.0(14) . . ?
C5 C6 C9 122.7(14) . . ?
C1 C6 C9 122.3(14) . . ?
C14 C13 C12 120.9(14) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C2 C1 C6 123.3(13) . . ?
C2 C1 Te1 112.6(9) . . ?
C6 C1 Te1 123.6(11) . . ?
C30 C31 C26 119.9(14) . . ?
C30 C31 H31 120.1 . . ?
C26 C31 H31 120.1 . . ?
C13 C14 C15 118.0(14) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
C29 C28 C27 121.4(14) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C20 C19 C18 121.7(14) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C18 C23 Pd2 120.8(9) . . ?
C18 C23 H23A 107.1 . . ?
Pd2 C23 H23A 107.1 . . ?
C18 C23 H23B 107.1 . . ?
Pd2 C23 H23B 107.1 . . ?
H23A C23 H23B 106.8 . . ?
C20 C21 C22 122.8(14) . . ?
C20 C21 H21 118.6 . . ?
C22 C21 H21 118.6 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C15 C10 121.7(13) . . ?
C14 C15 H15 119.1 . . ?
C10 C15 H15 119.1 . . ?
C30 C29 C28 120.4(13) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C5 C6 124.1(14) . . ?
C4 C5 H5 118.0 . . ?
C6 C5 H5 118.0 . . ?
C5 C4 C3 118.7(14) . . ?
C5 C4 C8 120.5(14) . . ?
C3 C4 C8 120.8(16) . . ?
C29 C30 C31 119.6(14) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C21 C20 C19 118.7(14) . . ?
C21 C20 C24 120.7(16) . . ?
C19 C20 C24 120.4(15) . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C17 Te2 C26 98.1(5) . . ?
C17 Te2 Pd2 93.3(3) . . ?
C26 Te2 Pd2 100.9(3) . . ?
C1 Te1 C10 99.6(5) . . ?
C1 Te1 Pd1 92.4(4) . . ?
C10 Te1 Pd1 106.6(3) . . ?
C7 Pd1 O4 89.7(5) . . ?
C7 Pd1 O1 177.6(5) . . ?
O4 Pd1 O1 91.7(4) . . ?
C7 Pd1 Te1 84.4(4) . . ?
O4 Pd1 Te1 173.9(3) . . ?
O1 Pd1 Te1 94.2(3) . . ?
C7 Pd1 Pd2 100.5(4) . . ?
O4 Pd1 Pd2 82.5(3) . . ?
O1 Pd1 Pd2 81.6(3) . . ?
Te1 Pd1 Pd2 99.65(4) . . ?
C23 Pd2 O2 87.1(5) . . ?
C23 Pd2 O3 178.4(5) . . ?
O2 Pd2 O3 91.5(4) . . ?
C23 Pd2 Te2 86.2(4) . . ?
O2 Pd2 Te2 168.5(3) . . ?
O3 Pd2 Te2 95.1(3) . . ?
C23 Pd2 Pd1 100.6(4) . . ?
O2 Pd2 Pd1 80.1(3) . . ?
O3 Pd2 Pd1 79.9(3) . . ?
Te2 Pd2 Pd1 110.36(5) . . ?

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
C22 C17 C18 C19 0.6(19) . . . . ?
Te2 C17 C18 C19 -171.3(9) . . . . ?
C22 C17 C18 C23 -173.7(11) . . . . ?
Te2 C17 C18 C23 14.4(15) . . . . ?
C18 C17 C22 C21 1.1(19) . . . . ?
Te2 C17 C22 C21 172.4(10) . . . . ?
C18 C17 C22 C25 178.8(13) . . . . ?
Te2 C17 C22 C25 -9.9(18) . . . . ?
Pd2 O2 C33 O1 10(2) . . . . ?
Pd2 O2 C33 C34 -171.9(10) . . . . ?
Pd1 O1 C33 O2 2(2) . . . . ?
Pd1 O1 C33 C34 -176.1(10) . . . . ?
Pd1 O4 C35 O3 9(2) . . . . ?
Pd1 O4 C35 C36 -170.6(10) . . . . ?
Pd2 O3 C35 O4 3(2) . . . . ?
Pd2 O3 C35 C36 -177.1(10) . . . . ?
C15 C10 C11 C12 -1.8(18) . . . . ?
Te1 C10 C11 C12 179.2(9) . . . . ?
C15 C10 C11 C16 177.8(12) . . . . ?
Te1 C10 C11 C16 -1.2(16) . . . . ?
C31 C26 C27 C28 -0.9(19) . . . . ?
Te2 C26 C27 C28 179.2(9) . . . . ?
C31 C26 C27 C32 179.2(12) . . . . ?
Te2 C26 C27 C32 -0.7(17) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
C7 C2 C3 C4 177.3(13) . . . . ?
C1 C2 C7 Pd1 -36.2(18) . . . . ?
C3 C2 C7 Pd1 143.6(12) . . . . ?
C10 C11 C12 C13 1.6(19) . . . . ?
C16 C11 C12 C13 -178.0(12) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C3 C2 C1 C6 7(2) . . . . ?
C7 C2 C1 C6 -173.7(13) . . . . ?
C3 C2 C1 Te1 -166.1(10) . . . . ?
C7 C2 C1 Te1 13.7(16) . . . . ?
C5 C6 C1 C2 -7(2) . . . . ?
C9 C6 C1 C2 176.0(13) . . . . ?
C5 C6 C1 Te1 165.1(10) . . . . ?
C9 C6 C1 Te1 -12.3(19) . . . . ?
C27 C26 C31 C30 0(2) . . . . ?
Te2 C26 C31 C30 179.9(10) . . . . ?
C12 C13 C14 C15 0(2) . . . . ?
C26 C27 C28 C29 0(2) . . . . ?
C32 C27 C28 C29 -179.7(14) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C23 C18 C19 C20 174.1(13) . . . . ?
C17 C18 C23 Pd2 -28.8(17) . . . . ?
C19 C18 C23 Pd2 157.2(11) . . . . ?
C17 C22 C21 C20 -4(2) . . . . ?
C25 C22 C21 C20 178.7(14) . . . . ?
C13 C14 C15 C10 0(2) . . . . ?
C11 C10 C15 C14 1(2) . . . . ?
Te1 C10 C15 C14 -179.7(10) . . . . ?
C27 C28 C29 C30 1(2) . . . . ?
C1 C6 C5 C4 4(2) . . . . ?
C9 C6 C5 C4 -179.1(14) . . . . ?
C6 C5 C4 C3 0(2) . . . . ?
C6 C5 C4 C8 -178.1(14) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C2 C3 C4 C8 177.7(13) . . . . ?
C28 C29 C30 C31 -2(2) . . . . ?
C26 C31 C30 C29 1(2) . . . . ?
C22 C21 C20 C19 4(2) . . . . ?
C22 C21 C20 C24 179.6(14) . . . . ?
C18 C19 C20 C21 -2(2) . . . . ?
C18 C19 C20 C24 -177.8(14) . . . . ?
C18 C17 Te2 C26 -100.0(10) . . . . ?
C22 C17 Te2 C26 88.1(10) . . . . ?
C18 C17 Te2 Pd2 1.5(9) . . . . ?
C22 C17 Te2 Pd2 -170.4(10) . . . . ?
C27 C26 Te2 C17 -175.7(10) . . . . ?
C31 C26 Te2 C17 4.4(10) . . . . ?
C27 C26 Te2 Pd2 89.3(10) . . . . ?
C31 C26 Te2 Pd2 -90.5(10) . . . . ?
C2 C1 Te1 C10 -100.2(10) . . . . ?
C6 C1 Te1 C10 87.2(11) . . . . ?
C2 C1 Te1 Pd1 7.0(10) . . . . ?
C6 C1 Te1 Pd1 -165.5(11) . . . . ?
C11 C10 Te1 C1 171.2(10) . . . . ?
C15 C10 Te1 C1 -7.8(11) . . . . ?
C11 C10 Te1 Pd1 75.8(10) . . . . ?
C15 C10 Te1 Pd1 -103.2(10) . . . . ?
C2 C7 Pd1 O4 -149.5(12) . . . . ?
C2 C7 Pd1 O1 84(12) . . . . ?
C2 C7 Pd1 Te1 31.6(11) . . . . ?
C2 C7 Pd1 Pd2 -67.2(12) . . . . ?
C35 O4 Pd1 C7 88.8(12) . . . . ?
C35 O4 Pd1 O1 -93.1(12) . . . . ?
C35 O4 Pd1 Te1 100(3) . . . . ?
C35 O4 Pd1 Pd2 -11.9(11) . . . . ?
C33 O1 Pd1 C7 -159(12) . . . . ?
C33 O1 Pd1 O4 74.1(12) . . . . ?
C33 O1 Pd1 Te1 -107.2(11) . . . . ?
C33 O1 Pd1 Pd2 -8.1(11) . . . . ?
C1 Te1 Pd1 C7 -17.7(5) . . . . ?
C10 Te1 Pd1 C7 83.0(6) . . . . ?
C1 Te1 Pd1 O4 -29(3) . . . . ?
C10 Te1 Pd1 O4 72(3) . . . . ?
C1 Te1 Pd1 O1 164.2(4) . . . . ?
C10 Te1 Pd1 O1 -95.1(4) . . . . ?
C1 Te1 Pd1 Pd2 82.1(3) . . . . ?
C10 Te1 Pd1 Pd2 -177.2(3) . . . . ?
C18 C23 Pd2 O2 -166.5(11) . . . . ?
C18 C23 Pd2 O3 165(18) . . . . ?
C18 C23 Pd2 Te2 22.9(11) . . . . ?
C18 C23 Pd2 Pd1 -87.1(11) . . . . ?
C33 O2 Pd2 C23 89.4(13) . . . . ?
C33 O2 Pd2 O3 -91.4(13) . . . . ?
C33 O2 Pd2 Te2 143.7(12) . . . . ?
C33 O2 Pd2 Pd1 -11.9(12) . . . . ?
C35 O3 Pd2 C23 100(19) . . . . ?
C35 O3 Pd2 O2 70.9(12) . . . . ?
C35 O3 Pd2 Te2 -118.6(11) . . . . ?
C35 O3 Pd2 Pd1 -8.8(11) . . . . ?
C17 Te2 Pd2 C23 -11.4(5) . . . . ?
C26 Te2 Pd2 C23 87.5(6) . . . . ?
C17 Te2 Pd2 O2 -65.8(16) . . . . ?
C26 Te2 Pd2 O2 33.1(16) . . . . ?
C17 Te2 Pd2 O3 169.6(4) . . . . ?
C26 Te2 Pd2 O3 -91.5(5) . . . . ?
C17 Te2 Pd2 Pd1 88.5(3) . . . . ?
C26 Te2 Pd2 Pd1 -172.6(4) . . . . ?
C7 Pd1 Pd2 C23 101.2(6) . . . . ?
O4 Pd1 Pd2 C23 -170.5(5) . . . . ?
O1 Pd1 Pd2 C23 -77.6(5) . . . . ?
Te1 Pd1 Pd2 C23 15.2(4) . . . . ?
C7 Pd1 Pd2 O2 -173.7(5) . . . . ?
O4 Pd1 Pd2 O2 -85.4(5) . . . . ?
O1 Pd1 Pd2 O2 7.5(5) . . . . ?
Te1 Pd1 Pd2 O2 100.3(3) . . . . ?
C7 Pd1 Pd2 O3 -80.3(5) . . . . ?
O4 Pd1 Pd2 O3 8.0(4) . . . . ?
O1 Pd1 Pd2 O3 100.9(4) . . . . ?
Te1 Pd1 Pd2 O3 -166.3(3) . . . . ?
C7 Pd1 Pd2 Te2 11.4(4) . . . . ?
O4 Pd1 Pd2 Te2 99.7(3) . . . . ?
O1 Pd1 Pd2 Te2 -167.4(3) . . . . ?
Te1 Pd1 Pd2 Te2 -74.62(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.536
_refine_diff_density_min         -1.483
_refine_diff_density_rms         0.184
_database_code_depnum_ccdc_archive 'CCDC 996456'
#######################################################################
#
#                 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_[Pd2(\m-OAc)2{MesTe(C6H2(4,6-Me)2CH2}2].toluene(5a)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C47 H56 O4 Pd2 Te2'
_chemical_formula_weight         1152.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 '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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14

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                   11.1936(3)
_cell_length_b                   33.0163(13)
_cell_length_c                   11.9487(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.641(2)
_cell_angle_gamma                90
_cell_volume                     4411.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5572
_cell_measurement_temperature    130.00(10)
_cell_measurement_theta_max      69.6240
_cell_measurement_theta_min      3.7140

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2264
_exptl_absorpt_coefficient_mu    17.127
_exptl_absorpt_correction_T_min  0.1310
_exptl_absorpt_correction_T_max  0.2792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      130.00(10)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16623
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_unetI/netI     0.0996
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.94
_diffrn_reflns_theta_max         70.24
_reflns_number_total             8254
_reflns_number_gt                6016
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.1137P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.00015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8254
_refine_ls_number_parameters     490
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0739
_refine_ls_wR_factor_ref         0.2024
_refine_ls_wR_factor_gt          0.1838
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_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 0.6811(10) 0.2258(4) 0.4767(8) 0.036(3) Uani 1 1 d . . .
C2 C 0.6077(10) 0.2069(3) 0.5498(8) 0.034(3) Uani 1 1 d . . .
C3 C 0.6206(10) 0.2174(3) 0.6634(8) 0.035(3) Uani 1 1 d . . .
H3 H 0.5716 0.2054 0.7147 0.042 Uiso 1 1 calc R . .
C4 C 0.7066(12) 0.2459(4) 0.7002(9) 0.047(3) Uani 1 1 d . . .
C5 C 0.7786(11) 0.2633(4) 0.6232(9) 0.046(3) Uani 1 1 d . . .
H5 H 0.8360 0.2821 0.6478 0.055 Uiso 1 1 calc R . .
C6 C 0.7683(11) 0.2537(3) 0.5093(9) 0.040(3) Uani 1 1 d . . .
C7 C 0.5172(11) 0.1752(3) 0.5115(8) 0.041(3) Uani 1 1 d . . .
H7A H 0.4390 0.1857 0.5282 0.050 Uiso 1 1 calc R . .
H7B H 0.5311 0.1517 0.5591 0.050 Uiso 1 1 calc R . .
C8 C 0.7206(13) 0.2576(4) 0.8220(9) 0.057(4) Uani 1 1 d . . .
H8A H 0.8032 0.2631 0.8411 0.085 Uiso 1 1 calc R . .
H8B H 0.6936 0.2358 0.8676 0.085 Uiso 1 1 calc R . .
H8C H 0.6738 0.2814 0.8350 0.085 Uiso 1 1 calc R . .
C9 C 0.8485(12) 0.2734(4) 0.4262(11) 0.057(4) Uani 1 1 d . . .
H9A H 0.9023 0.2535 0.3986 0.086 Uiso 1 1 calc R . .
H9B H 0.8935 0.2948 0.4626 0.086 Uiso 1 1 calc R . .
H9C H 0.8003 0.2843 0.3649 0.086 Uiso 1 1 calc R . .
C10 C 0.8132(9) 0.1823(3) 0.2770(7) 0.028(2) Uani 1 1 d . . .
C11 C 0.8746(10) 0.1976(3) 0.1841(8) 0.033(3) Uani 1 1 d . . .
C12 C 0.9867(9) 0.1819(3) 0.1641(8) 0.029(2) Uani 1 1 d . . .
H12 H 1.0270 0.1920 0.1037 0.035 Uiso 1 1 calc R . .
C13 C 1.0413(12) 0.1522(4) 0.2294(9) 0.044(2) Uani 1 1 d . . .
C14 C 0.9762(10) 0.1374(3) 0.3201(8) 0.039(3) Uani 1 1 d . . .
H14 H 1.0108 0.1172 0.3651 0.047 Uiso 1 1 calc R . .
C15 C 0.8647(9) 0.1513(3) 0.3449(8) 0.026(2) Uani 1 1 d . . .
C16 C 0.8231(10) 0.2311(3) 0.1092(8) 0.036(3) Uani 1 1 d . . .
H16A H 0.8775 0.2369 0.0514 0.054 Uiso 1 1 calc R . .
H16B H 0.8118 0.2551 0.1531 0.054 Uiso 1 1 calc R . .
H16C H 0.7477 0.2226 0.0757 0.054 Uiso 1 1 calc R . .
C17 C 1.1615(10) 0.1359(4) 0.2090(10) 0.047(3) Uani 1 1 d . . .
H17A H 1.1805 0.1411 0.1328 0.071 Uiso 1 1 calc R . .
H17B H 1.1624 0.1072 0.2224 0.071 Uiso 1 1 calc R . .
H17C H 1.2197 0.1488 0.2587 0.071 Uiso 1 1 calc R . .
C18 C 0.8033(10) 0.1338(3) 0.4443(8) 0.035(3) Uani 1 1 d . . .
H18A H 0.8476 0.1108 0.4727 0.052 Uiso 1 1 calc R . .
H18B H 0.7237 0.1255 0.4213 0.052 Uiso 1 1 calc R . .
H18C H 0.7997 0.1540 0.5018 0.052 Uiso 1 1 calc R . .
C19 C 0.8637(9) 0.0430(3) 0.1808(7) 0.024(2) Uani 1 1 d . . .
C20 C 0.8175(9) 0.0233(3) 0.2709(7) 0.028(2) Uani 1 1 d . . .
C21 C 0.8870(9) -0.0060(3) 0.3276(8) 0.033(3) Uani 1 1 d . . .
H21 H 0.8557 -0.0197 0.3876 0.040 Uiso 1 1 calc R . .
C22 C 1.0013(10) -0.0151(3) 0.2966(9) 0.037(3) Uani 1 1 d . . .
C23 C 1.0463(10) 0.0052(4) 0.2045(9) 0.038(3) Uani 1 1 d . . .
H23 H 1.1221 -0.0014 0.1814 0.046 Uiso 1 1 calc R . .
C24 C 0.9807(9) 0.0351(3) 0.1466(7) 0.026(2) Uani 1 1 d . . .
C25 C 1.0291(9) 0.0556(4) 0.0468(8) 0.036(3) Uani 1 1 d . . .
H25A H 1.1143 0.0521 0.0478 0.053 Uiso 1 1 calc R . .
H25B H 1.0104 0.0839 0.0490 0.053 Uiso 1 1 calc R . .
H25C H 0.9937 0.0439 -0.0204 0.053 Uiso 1 1 calc R . .
C26 C 1.0728(11) -0.0473(4) 0.3580(11) 0.054(4) Uani 1 1 d . . .
H26A H 1.0489 -0.0735 0.3301 0.081 Uiso 1 1 calc R . .
H26B H 1.0590 -0.0458 0.4366 0.081 Uiso 1 1 calc R . .
H26C H 1.1563 -0.0433 0.3467 0.081 Uiso 1 1 calc R . .
C27 C 0.6900(9) 0.0309(3) 0.3025(8) 0.032(3) Uani 1 1 d . . .
H27A H 0.6921 0.0340 0.3833 0.039 Uiso 1 1 calc R . .
H27B H 0.6457 0.0063 0.2855 0.039 Uiso 1 1 calc R . .
C28 C 0.7058(9) 0.0743(3) -0.0467(7) 0.025(2) Uani 1 1 d . . .
C29 C 0.6599(8) 0.0361(3) -0.0751(7) 0.025(2) Uani 1 1 d . . .
C30 C 0.6183(9) 0.0292(3) -0.1841(8) 0.030(2) Uani 1 1 d . . .
H30 H 0.5903 0.0035 -0.2038 0.036 Uiso 1 1 calc R . .
C31 C 0.6169(10) 0.0592(4) -0.2648(8) 0.034(3) Uani 1 1 d . . .
C32 C 0.6631(11) 0.0970(3) -0.2347(8) 0.040(3) Uani 1 1 d . . .
H32 H 0.6639 0.1173 -0.2887 0.048 Uiso 1 1 calc R . .
C33 C 0.7080(9) 0.1055(3) -0.1274(7) 0.027(2) Uani 1 1 d . . .
C34 C 0.6577(9) 0.0013(3) 0.0072(8) 0.032(2) Uani 1 1 d . . .
H34A H 0.7378 -0.0047 0.0343 0.048 Uiso 1 1 calc R . .
H34B H 0.6235 -0.0221 -0.0294 0.048 Uiso 1 1 calc R . .
H34C H 0.6104 0.0088 0.0690 0.048 Uiso 1 1 calc R . .
C35 C 0.5662(11) 0.0520(4) -0.3836(8) 0.042(3) Uani 1 1 d . . .
H35A H 0.4867 0.0628 -0.3912 0.064 Uiso 1 1 calc R . .
H35B H 0.5642 0.0234 -0.3987 0.064 Uiso 1 1 calc R . .
H35C H 0.6160 0.0652 -0.4359 0.064 Uiso 1 1 calc R . .
C36 C 0.7596(13) 0.1474(3) -0.1031(9) 0.051(4) Uani 1 1 d . . .
H36A H 0.7681 0.1616 -0.1723 0.077 Uiso 1 1 calc R . .
H36B H 0.8365 0.1447 -0.0647 0.077 Uiso 1 1 calc R . .
H36C H 0.7068 0.1621 -0.0569 0.077 Uiso 1 1 calc R . .
C37 C 0.3763(12) 0.0761(4) 0.3862(8) 0.040(2) Uani 1 1 d . . .
C38 C 0.2686(10) 0.0525(4) 0.4244(10) 0.047(3) Uani 1 1 d . . .
H38A H 0.2311 0.0386 0.3616 0.071 Uiso 1 1 calc R . .
H38B H 0.2125 0.0710 0.4553 0.071 Uiso 1 1 calc R . .
H38C H 0.2943 0.0332 0.4805 0.071 Uiso 1 1 calc R . .
C39 C 0.4875(16) 0.1403(5) 0.1066(12) 0.074 Uani 1 1 d . . .
C40 C 0.4327(14) 0.1229(5) -0.0042(10) 0.073(5) Uani 1 1 d . . .
H40A H 0.4442 0.0941 -0.0055 0.109 Uiso 1 1 calc R . .
H40B H 0.4711 0.1350 -0.0662 0.109 Uiso 1 1 calc R . .
H40C H 0.3487 0.1289 -0.0098 0.109 Uiso 1 1 calc R . .
C41 C 0.0889(14) 0.1741(4) -0.3599(12) 0.104(7) Uani 1 1 d GDU . .
C42 C 0.1852(14) 0.1512(6) -0.3929(12) 0.123(9) Uani 1 1 d GU . .
H42 H 0.2147 0.1548 -0.4637 0.148 Uiso 1 1 calc R . .
C43 C 0.2374(11) 0.1228(5) -0.3200(19) 0.178(11) Uani 1 1 d GU . .
H43 H 0.3019 0.1074 -0.3420 0.214 Uiso 1 1 calc R . .
C44 C 0.1933(16) 0.1173(5) -0.2142(17) 0.188(11) Uani 1 1 d GU . .
H44 H 0.2283 0.0983 -0.1654 0.226 Uiso 1 1 calc R . .
C45 C 0.0970(17) 0.1403(6) -0.1812(10) 0.150(9) Uani 1 1 d GU . .
H45 H 0.0675 0.1367 -0.1104 0.179 Uiso 1 1 calc R . .
C46 C 0.0448(11) 0.1687(5) -0.2541(14) 0.125(8) Uani 1 1 d GU . .
H46 H -0.0197 0.1841 -0.2321 0.151 Uiso 1 1 calc R . .
C47 C 0.056(3) 0.2041(9) -0.446(3) 0.32(3) Uani 1 1 d D . .
H47A H 0.1083 0.2271 -0.4380 0.481 Uiso 1 1 calc R . .
H47B H -0.0250 0.2126 -0.4382 0.481 Uiso 1 1 calc R . .
H47C H 0.0640 0.1923 -0.5189 0.481 Uiso 1 1 calc R . .
O1 O 0.3771(6) 0.1132(2) 0.4072(5) 0.0327(17) Uani 1 1 d . . .
O2 O 0.4546(7) 0.0563(2) 0.3392(5) 0.0341(18) Uani 1 1 d . . .
O3 O 0.4723(6) 0.1289(2) 0.1797(7) 0.038(2) Uani 1 1 d . . .
O4 O 0.5625(8) 0.1724(3) 0.0874(6) 0.060(3) Uani 1 1 d . . .
Pd2 Pd 0.59132(7) 0.07668(2) 0.23915(5) 0.0248(2) Uani 1 1 d . . .
Pd1 Pd 0.50453(7) 0.15472(2) 0.35154(5) 0.0269(2) Uani 1 1 d . . .
Te1 Te 0.76218(6) 0.09218(2) 0.12068(4) 0.0244(2) Uani 1 1 d . . .
Te2 Te 0.64413(6) 0.20961(2) 0.30581(5) 0.0290(2) 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 1.377(15) . ?
C1 C6 1.386(15) . ?
C1 Te2 2.133(10) . ?
C2 C3 1.402(13) . ?
C2 C7 1.512(15) . ?
C3 C4 1.402(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(17) . ?
C4 C8 1.507(14) . ?
C5 C6 1.398(14) . ?
C5 H5 0.9300 . ?
C6 C9 1.514(17) . ?
C7 Pd1 2.027(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.412(13) . ?
C10 C11 1.424(14) . ?
C10 Te2 2.140(11) . ?
C11 C12 1.388(14) . ?
C11 C16 1.522(14) . ?
C12 C13 1.380(15) . ?
C12 H12 0.9300 . ?
C13 C14 1.420(15) . ?
C13 C17 1.480(16) . ?
C14 C15 1.374(14) . ?
C14 H14 0.9300 . ?
C15 C18 1.513(13) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
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 C20 1.379(13) . ?
C19 C24 1.414(13) . ?
C19 Te1 2.090(10) . ?
C20 C21 1.396(13) . ?
C20 C27 1.514(13) . ?
C21 C22 1.381(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.402(15) . ?
C22 C26 1.502(15) . ?
C23 C24 1.395(15) . ?
C23 H23 0.9300 . ?
C24 C25 1.494(13) . ?
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 Pd2 1.999(10) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.398(14) . ?
C28 C33 1.413(13) . ?
C28 Te1 2.152(9) . ?
C29 C30 1.382(12) . ?
C29 C34 1.511(13) . ?
C30 C31 1.383(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.390(15) . ?
C31 C35 1.523(13) . ?
C32 C33 1.385(13) . ?
C32 H32 0.9300 . ?
C33 C36 1.520(15) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 O2 1.247(13) . ?
C37 O1 1.251(13) . ?
C37 C38 1.522(15) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 O3 0.973(17) . ?
C39 O4 1.379(18) . ?
C39 C40 1.544(17) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C41 C47 1.463(18) . ?
C42 C43 1.3900 . ?
C42 H42 0.9300 . ?
C43 C44 1.3900 . ?
C43 H43 0.9300 . ?
C44 C45 1.3900 . ?
C44 H44 0.9300 . ?
C45 C46 1.3900 . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
O1 Pd1 2.108(7) . ?
O2 Pd2 2.097(7) . ?
O3 Pd1 2.238(7) . ?
O3 Pd2 2.272(8) . ?
Pd2 Te1 2.4845(9) . ?
Pd2 Pd1 3.0831(10) . ?
Pd1 Te2 2.4706(10) . ?

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 123.9(10) . . ?
C2 C1 Te2 113.5(8) . . ?
C6 C1 Te2 122.6(8) . . ?
C1 C2 C3 117.6(10) . . ?
C1 C2 C7 122.3(9) . . ?
C3 C2 C7 120.2(10) . . ?
C4 C3 C2 120.6(11) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.0(10) . . ?
C5 C4 C8 120.0(11) . . ?
C3 C4 C8 121.0(12) . . ?
C4 C5 C6 122.1(11) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C5 116.7(11) . . ?
C1 C6 C9 122.1(10) . . ?
C5 C6 C9 121.1(11) . . ?
C2 C7 Pd1 122.2(7) . . ?
C2 C7 H7A 106.8 . . ?
Pd1 C7 H7A 106.8 . . ?
C2 C7 H7B 106.8 . . ?
Pd1 C7 H7B 106.8 . . ?
H7A C7 H7B 106.6 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 120.4(10) . . ?
C15 C10 Te2 123.6(8) . . ?
C11 C10 Te2 115.9(7) . . ?
C12 C11 C10 118.3(10) . . ?
C12 C11 C16 119.4(10) . . ?
C10 C11 C16 122.3(10) . . ?
C13 C12 C11 123.2(10) . . ?
C13 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
C12 C13 C14 116.5(12) . . ?
C12 C13 C17 123.2(11) . . ?
C14 C13 C17 120.2(11) . . ?
C15 C14 C13 123.5(11) . . ?
C15 C14 H14 118.2 . . ?
C13 C14 H14 118.2 . . ?
C14 C15 C10 117.9(10) . . ?
C14 C15 C18 119.5(9) . . ?
C10 C15 C18 122.6(9) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 121.6(9) . . ?
C20 C19 Te1 114.7(7) . . ?
C24 C19 Te1 122.7(7) . . ?
C19 C20 C21 119.0(10) . . ?
C19 C20 C27 120.5(9) . . ?
C21 C20 C27 120.4(9) . . ?
C22 C21 C20 121.6(10) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C21 C22 C23 118.5(10) . . ?
C21 C22 C26 120.2(11) . . ?
C23 C22 C26 121.3(10) . . ?
C24 C23 C22 121.8(10) . . ?
C24 C23 H23 119.1 . . ?
C22 C23 H23 119.1 . . ?
C23 C24 C19 117.5(9) . . ?
C23 C24 C25 120.9(9) . . ?
C19 C24 C25 121.4(9) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C27 Pd2 122.9(7) . . ?
C20 C27 H27A 106.6 . . ?
Pd2 C27 H27A 106.6 . . ?
C20 C27 H27B 106.6 . . ?
Pd2 C27 H27B 106.6 . . ?
H27A C27 H27B 106.6 . . ?
C29 C28 C33 120.7(8) . . ?
C29 C28 Te1 124.2(7) . . ?
C33 C28 Te1 114.9(7) . . ?
C30 C29 C28 118.8(9) . . ?
C30 C29 C34 118.3(10) . . ?
C28 C29 C34 122.9(8) . . ?
C29 C30 C31 122.1(10) . . ?
C29 C30 H30 118.9 . . ?
C31 C30 H30 118.9 . . ?
C30 C31 C32 118.1(9) . . ?
C30 C31 C35 122.0(10) . . ?
C32 C31 C35 119.9(10) . . ?
C33 C32 C31 122.4(10) . . ?
C33 C32 H32 118.8 . . ?
C31 C32 H32 118.8 . . ?
C32 C33 C28 117.8(10) . . ?
C32 C33 C36 118.7(9) . . ?
C28 C33 C36 123.4(8) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O2 C37 O1 127.3(11) . . ?
O2 C37 C38 116.7(10) . . ?
O1 C37 C38 116.0(11) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O3 C39 O4 125.4(13) . . ?
O3 C39 C40 123.2(17) . . ?
O4 C39 C40 111.3(13) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 120.0 . . ?
C42 C41 C47 110(2) . . ?
C46 C41 C47 130(2) . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C41 C47 H47A 109.5 . . ?
C41 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C41 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C37 O1 Pd1 124.9(7) . . ?
C37 O2 Pd2 129.4(7) . . ?
C39 O3 Pd1 130.4(11) . . ?
C39 O3 Pd2 116.7(13) . . ?
Pd1 O3 Pd2 86.3(3) . . ?
C27 Pd2 O2 86.9(3) . . ?
C27 Pd2 O3 175.7(3) . . ?
O2 Pd2 O3 89.4(3) . . ?
C27 Pd2 Te1 86.8(3) . . ?
O2 Pd2 Te1 173.0(2) . . ?
O3 Pd2 Te1 97.0(2) . . ?
C27 Pd2 Pd1 130.2(3) . . ?
O2 Pd2 Pd1 76.5(2) . . ?
O3 Pd2 Pd1 46.40(17) . . ?
Te1 Pd2 Pd1 110.03(3) . . ?
C7 Pd1 O1 86.5(4) . . ?
C7 Pd1 O3 173.9(4) . . ?
O1 Pd1 O3 87.6(3) . . ?
C7 Pd1 Te2 86.9(3) . . ?
O1 Pd1 Te2 172.29(19) . . ?
O3 Pd1 Te2 98.8(2) . . ?
C7 Pd1 Pd2 132.8(3) . . ?
O1 Pd1 Pd2 79.93(19) . . ?
O3 Pd1 Pd2 47.3(2) . . ?
Te2 Pd1 Pd2 107.55(3) . . ?
C19 Te1 C28 103.7(4) . . ?
C19 Te1 Pd2 93.7(3) . . ?
C28 Te1 Pd2 105.8(3) . . ?
C1 Te2 C10 97.2(4) . . ?
C1 Te2 Pd1 94.0(3) . . ?
C10 Te2 Pd1 107.4(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
C6 C1 C2 C3 1.7(17) . . . . ?
Te2 C1 C2 C3 -176.4(8) . . . . ?
C6 C1 C2 C7 -177.3(11) . . . . ?
Te2 C1 C2 C7 4.7(14) . . . . ?
C1 C2 C3 C4 -0.9(17) . . . . ?
C7 C2 C3 C4 178.1(10) . . . . ?
C2 C3 C4 C5 -0.1(18) . . . . ?
C2 C3 C4 C8 179.6(11) . . . . ?
C3 C4 C5 C6 0.3(18) . . . . ?
C8 C4 C5 C6 -179.4(11) . . . . ?
C2 C1 C6 C5 -1.5(18) . . . . ?
Te2 C1 C6 C5 176.4(8) . . . . ?
C2 C1 C6 C9 179.0(11) . . . . ?
Te2 C1 C6 C9 -3.1(16) . . . . ?
C4 C5 C6 C1 0.4(18) . . . . ?
C4 C5 C6 C9 179.9(12) . . . . ?
C1 C2 C7 Pd1 4.8(16) . . . . ?
C3 C2 C7 Pd1 -174.2(8) . . . . ?
C15 C10 C11 C12 -1.5(14) . . . . ?
Te2 C10 C11 C12 177.7(7) . . . . ?
C15 C10 C11 C16 -179.5(9) . . . . ?
Te2 C10 C11 C16 -0.4(12) . . . . ?
C10 C11 C12 C13 0.3(15) . . . . ?
C16 C11 C12 C13 178.4(9) . . . . ?
C11 C12 C13 C14 0.6(15) . . . . ?
C11 C12 C13 C17 -179.1(10) . . . . ?
C12 C13 C14 C15 -0.5(16) . . . . ?
C17 C13 C14 C15 179.3(10) . . . . ?
C13 C14 C15 C10 -0.7(16) . . . . ?
C13 C14 C15 C18 -179.3(10) . . . . ?
C11 C10 C15 C14 1.6(14) . . . . ?
Te2 C10 C15 C14 -177.4(7) . . . . ?
C11 C10 C15 C18 -179.8(9) . . . . ?
Te2 C10 C15 C18 1.2(13) . . . . ?
C24 C19 C20 C21 -1.7(15) . . . . ?
Te1 C19 C20 C21 -170.6(8) . . . . ?
C24 C19 C20 C27 -177.2(9) . . . . ?
Te1 C19 C20 C27 13.9(12) . . . . ?
C19 C20 C21 C22 1.0(16) . . . . ?
C27 C20 C21 C22 176.5(10) . . . . ?
C20 C21 C22 C23 -1.3(17) . . . . ?
C20 C21 C22 C26 -178.9(11) . . . . ?
C21 C22 C23 C24 2.2(17) . . . . ?
C26 C22 C23 C24 179.8(11) . . . . ?
C22 C23 C24 C19 -2.8(15) . . . . ?
C22 C23 C24 C25 -178.4(10) . . . . ?
C20 C19 C24 C23 2.6(14) . . . . ?
Te1 C19 C24 C23 170.6(7) . . . . ?
C20 C19 C24 C25 178.1(9) . . . . ?
Te1 C19 C24 C25 -13.9(13) . . . . ?
C19 C20 C27 Pd2 -12.4(14) . . . . ?
C21 C20 C27 Pd2 172.2(8) . . . . ?
C33 C28 C29 C30 1.0(15) . . . . ?
Te1 C28 C29 C30 175.1(7) . . . . ?
C33 C28 C29 C34 178.7(9) . . . . ?
Te1 C28 C29 C34 -7.1(14) . . . . ?
C28 C29 C30 C31 -2.3(15) . . . . ?
C34 C29 C30 C31 179.9(9) . . . . ?
C29 C30 C31 C32 2.3(16) . . . . ?
C29 C30 C31 C35 -177.5(10) . . . . ?
C30 C31 C32 C33 -1.1(18) . . . . ?
C35 C31 C32 C33 178.7(10) . . . . ?
C31 C32 C33 C28 -0.1(17) . . . . ?
C31 C32 C33 C36 178.5(11) . . . . ?
C29 C28 C33 C32 0.2(15) . . . . ?
Te1 C28 C33 C32 -174.5(8) . . . . ?
C29 C28 C33 C36 -178.3(10) . . . . ?
Te1 C28 C33 C36 7.0(14) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C47 C41 C42 C43 175.1(16) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
C47 C41 C46 C45 -174(2) . . . . ?
O2 C37 O1 Pd1 7.5(15) . . . . ?
C38 C37 O1 Pd1 -173.8(7) . . . . ?
O1 C37 O2 Pd2 -18.5(16) . . . . ?
C38 C37 O2 Pd2 162.7(7) . . . . ?
O4 C39 O3 Pd1 18(3) . . . . ?
C40 C39 O3 Pd1 -164.8(10) . . . . ?
O4 C39 O3 Pd2 -92(2) . . . . ?
C40 C39 O3 Pd2 85.8(19) . . . . ?
C20 C27 Pd2 O2 -179.3(9) . . . . ?
C20 C27 Pd2 O3 -148(4) . . . . ?
C20 C27 Pd2 Te1 3.9(8) . . . . ?
C20 C27 Pd2 Pd1 -109.8(8) . . . . ?
C37 O2 Pd2 C27 146.9(9) . . . . ?
C37 O2 Pd2 O3 -30.8(9) . . . . ?
C37 O2 Pd2 Te1 174.2(11) . . . . ?
C37 O2 Pd2 Pd1 14.3(8) . . . . ?
C39 O3 Pd2 C27 174(5) . . . . ?
Pd1 O3 Pd2 C27 40(5) . . . . ?
C39 O3 Pd2 O2 -154.1(12) . . . . ?
Pd1 O3 Pd2 O2 71.9(3) . . . . ?
C39 O3 Pd2 Te1 22.9(12) . . . . ?
Pd1 O3 Pd2 Te1 -111.10(19) . . . . ?
C39 O3 Pd2 Pd1 134.0(13) . . . . ?
C2 C7 Pd1 O1 174.6(9) . . . . ?
C2 C7 Pd1 O3 -169(3) . . . . ?
C2 C7 Pd1 Te2 -9.4(9) . . . . ?
C2 C7 Pd1 Pd2 101.8(9) . . . . ?
C37 O1 Pd1 C7 -132.3(8) . . . . ?
C37 O1 Pd1 O3 49.4(8) . . . . ?
C37 O1 Pd1 Te2 -163.6(10) . . . . ?
C37 O1 Pd1 Pd2 2.3(8) . . . . ?
C39 O3 Pd1 C7 143(4) . . . . ?
Pd2 O3 Pd1 C7 -95(4) . . . . ?
C39 O3 Pd1 O1 159.1(17) . . . . ?
Pd2 O3 Pd1 O1 -78.5(3) . . . . ?
C39 O3 Pd1 Te2 -16.7(17) . . . . ?
Pd2 O3 Pd1 Te2 105.76(19) . . . . ?
C39 O3 Pd1 Pd2 -122.4(17) . . . . ?
C27 Pd2 Pd1 C7 -4.7(6) . . . . ?
O2 Pd2 Pd1 C7 69.4(5) . . . . ?
O3 Pd2 Pd1 C7 171.6(5) . . . . ?
Te1 Pd2 Pd1 C7 -108.1(5) . . . . ?
C27 Pd2 Pd1 O1 -80.2(4) . . . . ?
O2 Pd2 Pd1 O1 -6.2(3) . . . . ?
O3 Pd2 Pd1 O1 96.1(3) . . . . ?
Te1 Pd2 Pd1 O1 176.40(18) . . . . ?
C27 Pd2 Pd1 O3 -176.3(5) . . . . ?
O2 Pd2 Pd1 O3 -102.3(3) . . . . ?
Te1 Pd2 Pd1 O3 80.3(3) . . . . ?
C27 Pd2 Pd1 Te2 97.8(4) . . . . ?
O2 Pd2 Pd1 Te2 171.9(2) . . . . ?
O3 Pd2 Pd1 Te2 -85.9(3) . . . . ?
Te1 Pd2 Pd1 Te2 -5.56(4) . . . . ?
C20 C19 Te1 C28 -116.4(7) . . . . ?
C24 C19 Te1 C28 74.9(8) . . . . ?
C20 C19 Te1 Pd2 -9.1(7) . . . . ?
C24 C19 Te1 Pd2 -177.8(7) . . . . ?
C29 C28 Te1 C19 45.5(9) . . . . ?
C33 C28 Te1 C19 -140.0(8) . . . . ?
C29 C28 Te1 Pd2 -52.4(9) . . . . ?
C33 C28 Te1 Pd2 122.0(7) . . . . ?
C27 Pd2 Te1 C19 2.3(4) . . . . ?
O2 Pd2 Te1 C19 -24.9(16) . . . . ?
O3 Pd2 Te1 C19 -179.8(3) . . . . ?
Pd1 Pd2 Te1 C19 134.3(2) . . . . ?
C27 Pd2 Te1 C28 107.7(4) . . . . ?
O2 Pd2 Te1 C28 80.5(16) . . . . ?
O3 Pd2 Te1 C28 -74.3(3) . . . . ?
Pd1 Pd2 Te1 C28 -120.3(3) . . . . ?
C2 C1 Te2 C10 -117.4(8) . . . . ?
C6 C1 Te2 C10 64.5(10) . . . . ?
C2 C1 Te2 Pd1 -9.3(8) . . . . ?
C6 C1 Te2 Pd1 172.7(9) . . . . ?
C15 C10 Te2 C1 53.2(9) . . . . ?
C11 C10 Te2 C1 -125.9(8) . . . . ?
C15 C10 Te2 Pd1 -43.2(8) . . . . ?
C11 C10 Te2 Pd1 137.7(7) . . . . ?
C7 Pd1 Te2 C1 8.5(4) . . . . ?
O1 Pd1 Te2 C1 39.8(14) . . . . ?
O3 Pd1 Te2 C1 -173.6(3) . . . . ?
Pd2 Pd1 Te2 C1 -125.7(3) . . . . ?
C7 Pd1 Te2 C10 107.4(4) . . . . ?
O1 Pd1 Te2 C10 138.6(14) . . . . ?
O3 Pd1 Te2 C10 -74.7(3) . . . . ?
Pd2 Pd1 Te2 C10 -26.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        70.24
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.013
_refine_diff_density_min         -1.819
_refine_diff_density_rms         0.242
_database_code_depnum_ccdc_archive 'CCDC 996457'
#######################################################################
#
#                 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_trans-[PdCl2(TeMes2)2]-1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H52 Cl2 Pd Te2'
_chemical_formula_weight         1001.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3836(8)
_cell_length_b                   12.8965(7)
_cell_length_c                   16.0242(9)
_cell_angle_alpha                87.937(5)
_cell_angle_beta                 78.771(6)
_cell_angle_gamma                67.794(6)
_cell_volume                     2134.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5635
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.7960
_cell_measurement_theta_min      3.7020

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             988
_exptl_absorpt_coefficient_mu    15.421
_exptl_absorpt_correction_T_min  0.3077
_exptl_absorpt_correction_T_max  0.5127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13691
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.81
_diffrn_reflns_theta_max         70.04
_reflns_number_total             7925
_reflns_number_gt                5758
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0536P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.00033(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7925
_refine_ls_number_parameters     447
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0507
_refine_ls_wR_factor_ref         0.1281
_refine_ls_wR_factor_gt          0.1151
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_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
C1 C 0.6915(7) 0.7837(5) 0.3573(4) 0.0398(16) Uani 1 1 d . . .
C2 C 0.7419(8) 0.8647(7) 0.3250(5) 0.052(2) Uani 1 1 d . . .
C3 C 0.6543(10) 0.9768(7) 0.3326(5) 0.064(2) Uani 1 1 d . . .
H3 H 0.6850 1.0321 0.3119 0.077 Uiso 1 1 calc R . .
C4 C 0.5272(10) 1.0083(7) 0.3688(6) 0.069(3) Uani 1 1 d . . .
C5 C 0.4831(9) 0.9259(7) 0.4017(5) 0.063(2) Uani 1 1 d . . .
H5 H 0.3970 0.9470 0.4289 0.076 Uiso 1 1 calc R . .
C6 C 0.5614(8) 0.8144(7) 0.3957(5) 0.0508(19) Uani 1 1 d . . .
C7 C 0.8802(9) 0.8389(7) 0.2830(6) 0.070(3) Uani 1 1 d . . .
H7A H 0.9336 0.8174 0.3251 0.106 Uiso 1 1 calc R . .
H7B H 0.8878 0.9042 0.2557 0.106 Uiso 1 1 calc R . .
H7C H 0.9076 0.7786 0.2413 0.106 Uiso 1 1 calc R . .
C8 C 0.4357(11) 1.1291(8) 0.3744(7) 0.107(4) Uani 1 1 d . . .
H8A H 0.3638 1.1359 0.3487 0.160 Uiso 1 1 calc R . .
H8B H 0.4801 1.1740 0.3451 0.160 Uiso 1 1 calc R . .
H8C H 0.4047 1.1544 0.4331 0.160 Uiso 1 1 calc R . .
C9 C 0.5057(8) 0.7288(7) 0.4306(5) 0.063(2) Uani 1 1 d . . .
H9A H 0.5169 0.6767 0.3856 0.095 Uiso 1 1 calc R . .
H9B H 0.4151 0.7661 0.4540 0.095 Uiso 1 1 calc R . .
H9C H 0.5495 0.6891 0.4744 0.095 Uiso 1 1 calc R . .
C10 C 0.7930(7) 0.5585(6) 0.4682(4) 0.0379(15) Uani 1 1 d . . .
C11 C 0.8394(7) 0.6021(6) 0.5286(4) 0.0420(17) Uani 1 1 d . . .
C12 C 0.8274(7) 0.5628(7) 0.6108(5) 0.0511(19) Uani 1 1 d . . .
H12 H 0.8526 0.5939 0.6522 0.061 Uiso 1 1 calc R . .
C13 C 0.7799(8) 0.4800(7) 0.6336(4) 0.050(2) Uani 1 1 d . . .
C14 C 0.7346(8) 0.4399(7) 0.5723(4) 0.053(2) Uani 1 1 d . . .
H14 H 0.6975 0.3872 0.5874 0.064 Uiso 1 1 calc R . .
C15 C 0.7428(7) 0.4757(6) 0.4899(4) 0.0444(17) Uani 1 1 d . . .
C16 C 0.8973(8) 0.6893(7) 0.5103(5) 0.059(2) Uani 1 1 d . . .
H16A H 0.9128 0.7122 0.5621 0.088 Uiso 1 1 calc R . .
H16B H 0.8386 0.7530 0.4869 0.088 Uiso 1 1 calc R . .
H16C H 0.9776 0.6587 0.4702 0.088 Uiso 1 1 calc R . .
C17 C 0.7750(9) 0.4326(8) 0.7216(5) 0.077(3) Uani 1 1 d . . .
H17A H 0.8341 0.3558 0.7179 0.115 Uiso 1 1 calc R . .
H17B H 0.6888 0.4367 0.7445 0.115 Uiso 1 1 calc R . .
H17C H 0.7990 0.4753 0.7582 0.115 Uiso 1 1 calc R . .
C18 C 0.6936(9) 0.4246(7) 0.4269(5) 0.065(3) Uani 1 1 d . . .
H18A H 0.7656 0.3694 0.3905 0.098 Uiso 1 1 calc R . .
H18B H 0.6462 0.4823 0.3930 0.098 Uiso 1 1 calc R . .
H18C H 0.6378 0.3898 0.4575 0.098 Uiso 1 1 calc R . .
C19 C 0.9391(8) 0.2704(7) 0.0446(5) 0.054(2) Uani 1 1 d . . .
C20 C 0.9625(10) 0.1704(8) 0.0880(6) 0.067(3) Uani 1 1 d . . .
C21 C 1.0728(13) 0.0785(9) 0.0563(9) 0.096(4) Uani 1 1 d . . .
H21 H 1.0864 0.0107 0.0826 0.115 Uiso 1 1 calc R . .
C22 C 1.1638(13) 0.0836(13) -0.0132(10) 0.111(5) Uani 1 1 d . . .
C23 C 1.1384(11) 0.1820(12) -0.0542(7) 0.094(4) Uani 1 1 d . . .
H23 H 1.1974 0.1849 -0.1024 0.113 Uiso 1 1 calc R . .
C24 C 1.0292(9) 0.2778(10) -0.0278(6) 0.074(3) Uani 1 1 d . . .
C25 C 0.8711(10) 0.1615(8) 0.1668(6) 0.084(3) Uani 1 1 d . . .
H25A H 0.8597 0.2177 0.2086 0.126 Uiso 1 1 calc R . .
H25B H 0.9061 0.0885 0.1892 0.126 Uiso 1 1 calc R . .
H25C H 0.7890 0.1726 0.1528 0.126 Uiso 1 1 calc R . .
C26 C 1.2877(13) -0.0178(13) -0.0448(10) 0.182(9) Uani 1 1 d . . .
H26A H 1.3597 -0.0066 -0.0295 0.273 Uiso 1 1 calc R . .
H26B H 1.3014 -0.0266 -0.1056 0.273 Uiso 1 1 calc R . .
H26C H 1.2799 -0.0839 -0.0191 0.273 Uiso 1 1 calc R . .
C27 C 1.0072(11) 0.3809(9) -0.0782(6) 0.098(4) Uani 1 1 d . . .
H27A H 0.9393 0.3909 -0.1088 0.147 Uiso 1 1 calc R . .
H27B H 1.0853 0.3732 -0.1179 0.147 Uiso 1 1 calc R . .
H27C H 0.9830 0.4448 -0.0405 0.147 Uiso 1 1 calc R . .
C28 C 0.6227(7) 0.3638(6) 0.0927(5) 0.0465(18) Uani 1 1 d . . .
C29 C 0.5470(7) 0.3499(7) 0.1688(5) 0.0509(19) Uani 1 1 d . . .
C30 C 0.4443(8) 0.3180(7) 0.1643(5) 0.060(2) Uani 1 1 d . . .
H30 H 0.3932 0.3091 0.2147 0.072 Uiso 1 1 calc R . .
C31 C 0.4155(8) 0.2990(7) 0.0876(5) 0.058(2) Uani 1 1 d . . .
C32 C 0.4930(8) 0.3117(7) 0.0146(5) 0.056(2) Uani 1 1 d . . .
H32 H 0.4752 0.2983 -0.0372 0.068 Uiso 1 1 calc R . .
C33 C 0.5954(8) 0.3431(6) 0.0138(5) 0.0501(19) Uani 1 1 d . . .
C34 C 0.5654(8) 0.3730(8) 0.2561(5) 0.072(3) Uani 1 1 d . . .
H34A H 0.6533 0.3306 0.2614 0.109 Uiso 1 1 calc R . .
H34B H 0.5079 0.3515 0.2988 0.109 Uiso 1 1 calc R . .
H34C H 0.5468 0.4515 0.2638 0.109 Uiso 1 1 calc R . .
C35 C 0.3013(10) 0.2678(10) 0.0852(7) 0.102(4) Uani 1 1 d . . .
H35A H 0.3273 0.1878 0.0870 0.153 Uiso 1 1 calc R . .
H35B H 0.2701 0.2929 0.0336 0.153 Uiso 1 1 calc R . .
H35C H 0.2338 0.3027 0.1333 0.153 Uiso 1 1 calc R . .
C36 C 0.6746(9) 0.3567(8) -0.0696(5) 0.071(3) Uani 1 1 d . . .
H36A H 0.6734 0.4315 -0.0718 0.107 Uiso 1 1 calc R . .
H36B H 0.6387 0.3431 -0.1157 0.107 Uiso 1 1 calc R . .
H36C H 0.7621 0.3040 -0.0747 0.107 Uiso 1 1 calc R . .
C37 C 0.258(2) 0.9642(19) 0.2585(13) 0.152(8) Uani 1 1 d . . .
C38 C 0.247(2) 0.8740(18) 0.2994(16) 0.158(10) Uani 1 1 d . . .
H38 H 0.3098 0.8027 0.2856 0.189 Uiso 1 1 calc R . .
C39 C 0.141(2) 0.8904(19) 0.3612(17) 0.181(12) Uani 1 1 d . . .
H39 H 0.1333 0.8292 0.3909 0.218 Uiso 1 1 calc R . .
C40 C 0.043(2) 0.994(2) 0.3816(16) 0.198(11) Uani 1 1 d . . .
H40 H -0.0309 1.0026 0.4223 0.238 Uiso 1 1 calc R . .
C41 C 0.056(3) 1.082(2) 0.3424(15) 0.179(12) Uani 1 1 d . . .
H41 H -0.0049 1.1532 0.3584 0.215 Uiso 1 1 calc R . .
C42 C 0.158(3) 1.0680(15) 0.2795(14) 0.169(11) Uani 1 1 d . . .
H42 H 0.1626 1.1297 0.2491 0.202 Uiso 1 1 calc R . .
C43 C 0.374(3) 0.9530(19) 0.1933(14) 0.246(14) Uani 1 1 d . . .
H43A H 0.3720 0.9182 0.1421 0.368 Uiso 1 1 calc R . .
H43B H 0.4506 0.9077 0.2143 0.368 Uiso 1 1 calc R . .
H43C H 0.3764 1.0259 0.1814 0.368 Uiso 1 1 calc R . .
Cl1 Cl 0.9764(2) 0.36748(17) 0.24367(14) 0.0663(6) Uani 1 1 d . . .
Cl2 Cl 0.5970(2) 0.6463(2) 0.20796(15) 0.0782(7) Uani 1 1 d . . .
Pd1 Pd 0.78434(5) 0.50505(4) 0.22767(3) 0.03982(15) Uani 1 1 d . . .
Te1 Te 0.83043(5) 0.61403(4) 0.34216(3) 0.03941(14) Uani 1 1 d . . .
Te2 Te 0.77555(5) 0.42246(4) 0.08505(3) 0.04430(15) 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 1.396(10) . ?
C1 C2 1.409(10) . ?
C1 Te1 2.149(6) . ?
C2 C3 1.406(10) . ?
C2 C7 1.500(11) . ?
C3 C4 1.357(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(12) . ?
C4 C8 1.506(11) . ?
C5 C6 1.370(10) . ?
C5 H5 0.9300 . ?
C6 C9 1.511(10) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.394(9) . ?
C10 C11 1.412(9) . ?
C10 Te1 2.137(6) . ?
C11 C12 1.394(9) . ?
C11 C16 1.500(10) . ?
C12 C13 1.377(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.389(10) . ?
C13 C17 1.517(9) . ?
C14 C15 1.382(9) . ?
C14 H14 0.9300 . ?
C15 C18 1.521(9) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
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 C20 1.402(11) . ?
C19 C24 1.417(12) . ?
C19 Te2 2.143(8) . ?
C20 C21 1.382(13) . ?
C20 C25 1.503(13) . ?
C21 C22 1.383(17) . ?
C21 H21 0.9300 . ?
C22 C23 1.364(17) . ?
C22 C26 1.527(16) . ?
C23 C24 1.386(14) . ?
C23 H23 0.9300 . ?
C24 C27 1.494(14) . ?
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 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.398(10) . ?
C28 C33 1.416(9) . ?
C28 Te2 2.126(8) . ?
C29 C30 1.393(10) . ?
C29 C34 1.510(10) . ?
C30 C31 1.385(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.366(11) . ?
C31 C35 1.507(11) . ?
C32 C33 1.368(10) . ?
C32 H32 0.9300 . ?
C33 C36 1.505(11) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.35(3) . ?
C37 C42 1.39(2) . ?
C37 C43 1.48(3) . ?
C38 C39 1.36(3) . ?
C38 H38 0.9300 . ?
C39 C40 1.38(3) . ?
C39 H39 0.9300 . ?
C40 C41 1.31(3) . ?
C40 H40 0.9300 . ?
C41 C42 1.34(3) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
Cl1 Pd1 2.290(2) . ?
Cl2 Pd1 2.292(2) . ?
Pd1 Te2 2.5908(6) . ?
Pd1 Te1 2.5951(6) . ?

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 121.1(7) . . ?
C6 C1 Te1 124.3(5) . . ?
C2 C1 Te1 114.6(5) . . ?
C3 C2 C1 116.7(8) . . ?
C3 C2 C7 118.8(8) . . ?
C1 C2 C7 124.6(7) . . ?
C4 C3 C2 123.1(8) . . ?
C4 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
C3 C4 C5 118.1(9) . . ?
C3 C4 C8 121.7(10) . . ?
C5 C4 C8 120.3(10) . . ?
C6 C5 C4 122.5(9) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C1 118.4(8) . . ?
C5 C6 C9 119.7(8) . . ?
C1 C6 C9 121.9(7) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 120.6(6) . . ?
C15 C10 Te1 124.7(5) . . ?
C11 C10 Te1 114.2(5) . . ?
C12 C11 C10 117.4(7) . . ?
C12 C11 C16 118.5(6) . . ?
C10 C11 C16 124.1(6) . . ?
C13 C12 C11 123.1(7) . . ?
C13 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
C12 C13 C14 117.5(7) . . ?
C12 C13 C17 122.8(7) . . ?
C14 C13 C17 119.7(8) . . ?
C15 C14 C13 122.3(8) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
C14 C15 C10 118.9(7) . . ?
C14 C15 C18 118.3(7) . . ?
C10 C15 C18 122.8(6) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 120.6(9) . . ?
C20 C19 Te2 123.7(7) . . ?
C24 C19 Te2 115.6(7) . . ?
C21 C20 C19 118.2(10) . . ?
C21 C20 C25 120.1(10) . . ?
C19 C20 C25 121.7(9) . . ?
C20 C21 C22 122.5(13) . . ?
C20 C21 H21 118.7 . . ?
C22 C21 H21 118.7 . . ?
C23 C22 C21 117.9(13) . . ?
C23 C22 C26 120.6(16) . . ?
C21 C22 C26 121.5(16) . . ?
C22 C23 C24 123.5(12) . . ?
C22 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
C23 C24 C19 117.2(11) . . ?
C23 C24 C27 119.8(10) . . ?
C19 C24 C27 122.9(9) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C33 119.8(7) . . ?
C29 C28 Te2 124.4(5) . . ?
C33 C28 Te2 115.7(5) . . ?
C30 C29 C28 118.3(7) . . ?
C30 C29 C34 117.6(7) . . ?
C28 C29 C34 124.0(7) . . ?
C31 C30 C29 122.5(8) . . ?
C31 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
C32 C31 C30 117.5(8) . . ?
C32 C31 C35 121.5(8) . . ?
C30 C31 C35 121.0(8) . . ?
C31 C32 C33 123.5(7) . . ?
C31 C32 H32 118.2 . . ?
C33 C32 H32 118.2 . . ?
C32 C33 C28 118.5(7) . . ?
C32 C33 C36 120.0(7) . . ?
C28 C33 C36 121.6(7) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C42 119(2) . . ?
C38 C37 C43 121(2) . . ?
C42 C37 C43 121(3) . . ?
C37 C38 C39 118(3) . . ?
C37 C38 H38 121.0 . . ?
C39 C38 H38 121.0 . . ?
C38 C39 C40 123(3) . . ?
C38 C39 H39 118.7 . . ?
C40 C39 H39 118.7 . . ?
C41 C40 C39 118(3) . . ?
C41 C40 H40 120.8 . . ?
C39 C40 H40 120.8 . . ?
C40 C41 C42 120(3) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 122(2) . . ?
C41 C42 H42 119.1 . . ?
C37 C42 H42 119.1 . . ?
C37 C43 H43A 109.5 . . ?
C37 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C37 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Cl1 Pd1 Cl2 177.61(10) . . ?
Cl1 Pd1 Te2 95.50(5) . . ?
Cl2 Pd1 Te2 84.19(6) . . ?
Cl1 Pd1 Te1 83.86(5) . . ?
Cl2 Pd1 Te1 95.78(6) . . ?
Te2 Pd1 Te1 163.97(3) . . ?
C10 Te1 C1 100.2(3) . . ?
C10 Te1 Pd1 113.57(18) . . ?
C1 Te1 Pd1 109.92(17) . . ?
C28 Te2 C19 100.2(3) . . ?
C28 Te2 Pd1 114.2(2) . . ?
C19 Te2 Pd1 112.0(2) . . ?

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 -0.8(10) . . . . ?
Te1 C1 C2 C3 179.3(5) . . . . ?
C6 C1 C2 C7 179.9(7) . . . . ?
Te1 C1 C2 C7 0.0(10) . . . . ?
C1 C2 C3 C4 -0.1(12) . . . . ?
C7 C2 C3 C4 179.3(8) . . . . ?
C2 C3 C4 C5 1.8(13) . . . . ?
C2 C3 C4 C8 -178.9(8) . . . . ?
C3 C4 C5 C6 -2.8(13) . . . . ?
C8 C4 C5 C6 177.8(8) . . . . ?
C4 C5 C6 C1 2.1(12) . . . . ?
C4 C5 C6 C9 -178.1(8) . . . . ?
C2 C1 C6 C5 -0.2(11) . . . . ?
Te1 C1 C6 C5 179.7(5) . . . . ?
C2 C1 C6 C9 179.9(7) . . . . ?
Te1 C1 C6 C9 -0.2(10) . . . . ?
C15 C10 C11 C12 -2.8(10) . . . . ?
Te1 C10 C11 C12 -175.2(5) . . . . ?
C15 C10 C11 C16 178.7(7) . . . . ?
Te1 C10 C11 C16 6.4(9) . . . . ?
C10 C11 C12 C13 3.8(11) . . . . ?
C16 C11 C12 C13 -177.6(7) . . . . ?
C11 C12 C13 C14 -4.2(12) . . . . ?
C11 C12 C13 C17 176.0(7) . . . . ?
C12 C13 C14 C15 3.7(12) . . . . ?
C17 C13 C14 C15 -176.6(8) . . . . ?
C13 C14 C15 C10 -2.9(12) . . . . ?
C13 C14 C15 C18 178.5(7) . . . . ?
C11 C10 C15 C14 2.4(11) . . . . ?
Te1 C10 C15 C14 173.9(5) . . . . ?
C11 C10 C15 C18 -179.0(7) . . . . ?
Te1 C10 C15 C18 -7.5(11) . . . . ?
C24 C19 C20 C21 -2.6(12) . . . . ?
Te2 C19 C20 C21 -178.8(6) . . . . ?
C24 C19 C20 C25 177.7(8) . . . . ?
Te2 C19 C20 C25 1.5(11) . . . . ?
C19 C20 C21 C22 3.9(14) . . . . ?
C25 C20 C21 C22 -176.4(10) . . . . ?
C20 C21 C22 C23 -3.9(17) . . . . ?
C20 C21 C22 C26 177.4(9) . . . . ?
C21 C22 C23 C24 2.7(17) . . . . ?
C26 C22 C23 C24 -178.6(9) . . . . ?
C22 C23 C24 C19 -1.5(15) . . . . ?
C22 C23 C24 C27 -178.1(10) . . . . ?
C20 C19 C24 C23 1.4(12) . . . . ?
Te2 C19 C24 C23 178.0(6) . . . . ?
C20 C19 C24 C27 177.9(8) . . . . ?
Te2 C19 C24 C27 -5.6(11) . . . . ?
C33 C28 C29 C30 -1.2(12) . . . . ?
Te2 C28 C29 C30 175.7(6) . . . . ?
C33 C28 C29 C34 -178.1(7) . . . . ?
Te2 C28 C29 C34 -1.2(11) . . . . ?
C28 C29 C30 C31 0.4(13) . . . . ?
C34 C29 C30 C31 177.5(8) . . . . ?
C29 C30 C31 C32 0.6(13) . . . . ?
C29 C30 C31 C35 -178.2(9) . . . . ?
C30 C31 C32 C33 -0.8(13) . . . . ?
C35 C31 C32 C33 178.0(9) . . . . ?
C31 C32 C33 C28 -0.1(13) . . . . ?
C31 C32 C33 C36 -179.2(8) . . . . ?
C29 C28 C33 C32 1.1(11) . . . . ?
Te2 C28 C33 C32 -176.1(6) . . . . ?
C29 C28 C33 C36 -179.8(8) . . . . ?
Te2 C28 C33 C36 3.0(10) . . . . ?
C42 C37 C38 C39 -2(3) . . . . ?
C43 C37 C38 C39 177(2) . . . . ?
C37 C38 C39 C40 2(3) . . . . ?
C38 C39 C40 C41 -3(3) . . . . ?
C39 C40 C41 C42 5(3) . . . . ?
C40 C41 C42 C37 -6(4) . . . . ?
C38 C37 C42 C41 4(3) . . . . ?
C43 C37 C42 C41 -175(2) . . . . ?
C15 C10 Te1 C1 114.2(6) . . . . ?
C11 C10 Te1 C1 -73.8(5) . . . . ?
C15 C10 Te1 Pd1 -3.0(7) . . . . ?
C11 C10 Te1 Pd1 169.0(4) . . . . ?
C6 C1 Te1 C10 -48.6(6) . . . . ?
C2 C1 Te1 C10 131.3(5) . . . . ?
C6 C1 Te1 Pd1 71.3(6) . . . . ?
C2 C1 Te1 Pd1 -108.8(5) . . . . ?
Cl1 Pd1 Te1 C10 -76.4(2) . . . . ?
Cl2 Pd1 Te1 C10 105.9(2) . . . . ?
Te2 Pd1 Te1 C10 -165.0(2) . . . . ?
Cl1 Pd1 Te1 C1 172.2(2) . . . . ?
Cl2 Pd1 Te1 C1 -5.5(2) . . . . ?
Te2 Pd1 Te1 C1 83.6(2) . . . . ?
C29 C28 Te2 C19 108.3(7) . . . . ?
C33 C28 Te2 C19 -74.6(6) . . . . ?
C29 C28 Te2 Pd1 -11.5(7) . . . . ?
C33 C28 Te2 Pd1 165.5(5) . . . . ?
C20 C19 Te2 C28 -54.8(7) . . . . ?
C24 C19 Te2 C28 128.8(6) . . . . ?
C20 C19 Te2 Pd1 66.7(7) . . . . ?
C24 C19 Te2 Pd1 -109.8(6) . . . . ?
Cl1 Pd1 Te2 C28 113.3(2) . . . . ?
Cl2 Pd1 Te2 C28 -69.1(2) . . . . ?
Te1 Pd1 Te2 C28 -159.8(2) . . . . ?
Cl1 Pd1 Te2 C19 0.3(3) . . . . ?
Cl2 Pd1 Te2 C19 177.9(3) . . . . ?
Te1 Pd1 Te2 C19 87.2(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        70.04
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         1.173
_refine_diff_density_min         -1.262
_refine_diff_density_rms         0.130
_database_code_depnum_ccdc_archive 'CCDC 996458'
#######################################################################
#
#                 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_trans-[PdCl2(TeMes2)2]-1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H50 Cl2 N2 Pd Te2'
_chemical_formula_weight         991.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14

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                   8.85135(16)
_cell_length_b                   10.39083(17)
_cell_length_c                   23.3718(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.8045(18)
_cell_angle_gamma                90
_cell_volume                     2111.47(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10487
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.7880
_cell_measurement_theta_min      4.6680

_exptl_crystal_description       block
_exptl_crystal_colour            orange-red
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    15.596
_exptl_absorpt_correction_T_min  0.2032
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12977
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.85
_diffrn_reflns_theta_max         69.91
_reflns_number_total             3981
_reflns_number_gt                3585
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0724P)²+3.3103P] 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         3981
_refine_ls_number_parameters     221
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1344
_refine_ls_wR_factor_gt          0.1302
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.130
_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 0.7868(6) 0.0596(5) 0.1281(2) 0.0472(11) Uani 1 1 d . . .
C1S C 0.3482(15) 0.5083(9) 0.0562(7) 0.113(4) Uani 1 1 d . . .
C2 C 0.6685(6) 0.1084(5) 0.0854(2) 0.0477(11) Uani 1 1 d . . .
C2S C 0.2133(18) 0.5333(10) 0.0146(6) 0.140(5) Uani 1 1 d . . .
H2S1 H 0.1464 0.4599 0.0117 0.210 Uiso 1 1 calc R . .
H2S2 H 0.2404 0.5497 -0.0226 0.210 Uiso 1 1 calc R . .
H2S3 H 0.1617 0.6070 0.0265 0.210 Uiso 1 1 calc R . .
C3 C 0.5397(7) 0.1586(6) 0.1038(2) 0.0575(13) Uani 1 1 d . . .
H3 H 0.4602 0.1913 0.0759 0.069 Uiso 1 1 calc R . .
C4 C 0.5242(7) 0.1622(6) 0.1612(3) 0.0622(15) Uani 1 1 d . . .
C5 C 0.6446(7) 0.1145(7) 0.2023(3) 0.0668(16) Uani 1 1 d . . .
H5 H 0.6371 0.1179 0.2414 0.080 Uiso 1 1 calc R . .
C6 C 0.7751(7) 0.0622(6) 0.1875(2) 0.0558(13) Uani 1 1 d . . .
C8 C 0.6713(7) 0.1095(7) 0.0218(2) 0.0627(15) Uani 1 1 d . . .
H8A H 0.7538 0.1634 0.0147 0.094 Uiso 1 1 calc R . .
H8B H 0.5753 0.1423 0.0009 0.094 Uiso 1 1 calc R . .
H8C H 0.6864 0.0234 0.0090 0.094 Uiso 1 1 calc R . .
C9 C 0.3818(8) 0.2185(9) 0.1787(3) 0.088(2) Uani 1 1 d . . .
H9A H 0.3752 0.1898 0.2172 0.132 Uiso 1 1 calc R . .
H9B H 0.2922 0.1908 0.1518 0.132 Uiso 1 1 calc R . .
H9C H 0.3877 0.3108 0.1783 0.132 Uiso 1 1 calc R . .
C10 C 0.9767(6) -0.2169(5) 0.1287(2) 0.0475(11) Uani 1 1 d . . .
C11 C 0.8383(6) -0.2851(5) 0.1194(2) 0.0514(12) Uani 1 1 d . . .
C12 C 0.8426(7) -0.4157(6) 0.1341(2) 0.0575(13) Uani 1 1 d . . .
H12 H 0.7510 -0.4617 0.1285 0.069 Uiso 1 1 calc R . .
C13 C 0.9783(9) -0.4788(6) 0.1566(3) 0.0645(16) Uani 1 1 d . . .
C14 C 1.1122(8) -0.4093(7) 0.1638(3) 0.0650(16) Uani 1 1 d . . .
H14 H 1.2043 -0.4513 0.1781 0.078 Uiso 1 1 calc R . .
C15 C 1.1163(6) -0.2786(6) 0.1507(2) 0.0554(13) Uani 1 1 d . . .
C16 C 1.2689(7) -0.2108(8) 0.1597(4) 0.088(2) Uani 1 1 d . . .
H16A H 1.2812 -0.1697 0.1240 0.132 Uiso 1 1 calc R . .
H16B H 1.3501 -0.2722 0.1710 0.132 Uiso 1 1 calc R . .
H16C H 1.2729 -0.1472 0.1897 0.132 Uiso 1 1 calc R . .
C17 C 0.6859(6) -0.2287(6) 0.0917(3) 0.0742(19) Uani 1 1 d . . .
H17A H 0.6445 -0.1805 0.1203 0.111 Uiso 1 1 calc R . .
H17B H 0.6162 -0.2967 0.0768 0.111 Uiso 1 1 calc R . .
H17C H 0.6996 -0.1728 0.0604 0.111 Uiso 1 1 calc R . .
C18 C 0.9757(11) -0.6209(7) 0.1712(4) 0.097(3) Uani 1 1 d . . .
H18A H 1.0544 -0.6648 0.1556 0.145 Uiso 1 1 calc R . .
H18B H 0.8771 -0.6564 0.1545 0.145 Uiso 1 1 calc R . .
H18C H 0.9939 -0.6316 0.2127 0.145 Uiso 1 1 calc R . .
N1S N 0.4496(18) 0.4904(11) 0.0918(9) 0.200(8) Uani 1 1 d . . .
C7 C 0.8991(11) 0.0102(8) 0.2350(3) 0.088(3) Uani 1 1 d . . .
H7A H 0.8856 0.0442 0.2719 0.133 Uiso 1 1 calc R . .
H7B H 0.9981 0.0353 0.2276 0.133 Uiso 1 1 calc R . .
H7C H 0.8927 -0.0820 0.2358 0.133 Uiso 1 1 calc R . .
Cl1 Cl 1.0858(2) 0.20577(14) 0.02346(7) 0.0685(4) Uani 1 1 d . . .
Pd1 Pd 1.0000 0.0000 0.0000 0.04440(17) Uani 1 2 d S . .
Te1 Te 0.99599(4) -0.01692(3) 0.109911(14) 0.04658(15) 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 1.399(7) . ?
C1 C6 1.411(7) . ?
C1 Te1 2.130(5) . ?
C1S N1S 1.119(18) . ?
C1S C2S 1.415(17) . ?
C2 C3 1.393(8) . ?
C2 C8 1.491(7) . ?
C2S H2S1 0.9600 . ?
C2S H2S2 0.9600 . ?
C2S H2S3 0.9600 . ?
C3 C4 1.374(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(9) . ?
C4 C9 1.514(9) . ?
C5 C6 1.377(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.508(9) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.396(7) . ?
C10 C15 1.402(7) . ?
C10 Te1 2.137(5) . ?
C11 C12 1.398(8) . ?
C11 C17 1.502(8) . ?
C12 C13 1.383(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.370(10) . ?
C13 C18 1.517(9) . ?
C14 C15 1.394(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.503(9) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
Cl1 Pd1 2.3006(14) . ?
Pd1 Cl1 2.3006(14) 3_755 ?
Pd1 Te1 2.5817(3) 3_755 ?
Pd1 Te1 2.5817(3) . ?

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 120.8(5) . . ?
C2 C1 Te1 123.7(4) . . ?
C6 C1 Te1 115.5(4) . . ?
N1S C1S C2S 176(2) . . ?
C3 C2 C1 117.5(5) . . ?
C3 C2 C8 118.2(5) . . ?
C1 C2 C8 124.3(5) . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
C4 C3 C2 123.3(5) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 117.5(5) . . ?
C3 C4 C9 121.0(6) . . ?
C5 C4 C9 121.5(6) . . ?
C6 C5 C4 122.6(6) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C1 118.3(5) . . ?
C5 C6 C7 119.0(6) . . ?
C1 C6 C7 122.7(6) . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 120.8(5) . . ?
C11 C10 Te1 124.3(4) . . ?
C15 C10 Te1 114.9(4) . . ?
C10 C11 C12 118.1(5) . . ?
C10 C11 C17 124.0(5) . . ?
C12 C11 C17 117.8(5) . . ?
C13 C12 C11 122.4(6) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C14 C13 C12 117.8(6) . . ?
C14 C13 C18 122.3(7) . . ?
C12 C13 C18 119.9(7) . . ?
C13 C14 C15 123.0(6) . . ?
C13 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
C14 C15 C10 117.9(6) . . ?
C14 C15 C16 119.1(5) . . ?
C10 C15 C16 123.0(6) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Cl1 Pd1 Cl1 180.00(11) . 3_755 ?
Cl1 Pd1 Te1 96.22(4) . 3_755 ?
Cl1 Pd1 Te1 83.78(4) 3_755 3_755 ?
Cl1 Pd1 Te1 83.78(4) . . ?
Cl1 Pd1 Te1 96.22(4) 3_755 . ?
Te1 Pd1 Te1 180.000(15) 3_755 . ?
C1 Te1 C10 102.5(2) . . ?
C1 Te1 Pd1 110.36(13) . . ?
C10 Te1 Pd1 106.71(13) . . ?

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(8) . . . . ?
Te1 C1 C2 C3 -178.3(4) . . . . ?
C6 C1 C2 C8 -179.9(6) . . . . ?
Te1 C1 C2 C8 2.0(8) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C8 C2 C3 C4 179.7(6) . . . . ?
C2 C3 C4 C5 0.8(9) . . . . ?
C2 C3 C4 C9 179.7(6) . . . . ?
C3 C4 C5 C6 -1.4(10) . . . . ?
C9 C4 C5 C6 179.7(7) . . . . ?
C4 C5 C6 C1 1.2(10) . . . . ?
C4 C5 C6 C7 -178.8(7) . . . . ?
C2 C1 C6 C5 -0.3(9) . . . . ?
Te1 C1 C6 C5 177.9(5) . . . . ?
C2 C1 C6 C7 179.7(6) . . . . ?
Te1 C1 C6 C7 -2.1(8) . . . . ?
C15 C10 C11 C12 1.6(8) . . . . ?
Te1 C10 C11 C12 -179.7(4) . . . . ?
C15 C10 C11 C17 -175.0(6) . . . . ?
Te1 C10 C11 C17 3.7(8) . . . . ?
C10 C11 C12 C13 -0.8(8) . . . . ?
C17 C11 C12 C13 176.1(6) . . . . ?
C11 C12 C13 C14 -0.7(9) . . . . ?
C11 C12 C13 C18 -179.6(6) . . . . ?
C12 C13 C14 C15 1.4(10) . . . . ?
C18 C13 C14 C15 -179.8(7) . . . . ?
C13 C14 C15 C10 -0.6(9) . . . . ?
C13 C14 C15 C16 -179.5(7) . . . . ?
C11 C10 C15 C14 -1.0(8) . . . . ?
Te1 C10 C15 C14 -179.8(4) . . . . ?
C11 C10 C15 C16 177.9(6) . . . . ?
Te1 C10 C15 C16 -1.0(8) . . . . ?
C2 C1 Te1 C10 -111.8(5) . . . . ?
C6 C1 Te1 C10 70.1(5) . . . . ?
C2 C1 Te1 Pd1 1.6(5) . . . . ?
C6 C1 Te1 Pd1 -176.6(4) . . . . ?
C11 C10 Te1 C1 33.8(5) . . . . ?
C15 C10 Te1 C1 -147.4(4) . . . . ?
C11 C10 Te1 Pd1 -82.2(4) . . . . ?
C15 C10 Te1 Pd1 96.6(4) . . . . ?
Cl1 Pd1 Te1 C1 84.06(16) . . . . ?
Cl1 Pd1 Te1 C1 -95.94(16) 3_755 . . . ?
Te1 Pd1 Te1 C1 -122(100) 3_755 . . . ?
Cl1 Pd1 Te1 C10 -165.35(15) . . . . ?
Cl1 Pd1 Te1 C10 14.65(15) 3_755 . . . ?
Te1 Pd1 Te1 C10 -12(100) 3_755 . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        69.91
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.123
_database_code_depnum_ccdc_archive 'CCDC 996459'
#######################################################################
#
#                 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_[PdCl2{MesTe(CH2C6H2Me2-4,6)TeMes}](4)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H32 Cl2 Pd Te2'
_chemical_formula_weight         789.03

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'
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'
Te Te -0.5308 1.6751 '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/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14


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                   12.8111(3)
_cell_length_b                   19.8187(4)
_cell_length_c                   12.0377(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1030(10)
_cell_angle_gamma                90.00
_cell_volume                     2789.89(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9992
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      26.37


_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1512
_exptl_absorpt_coefficient_mu    2.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6853
_exptl_absorpt_correction_T_max  0.9714
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38917
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         26.39
_reflns_number_total             5696
_reflns_number_gt                5053
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  'WinGX 1.7.01'

_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)+(0.0376P)²+2.4065P] 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     SHELXL
_refine_ls_extinction_coef       0.00032(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5696
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0755
_refine_ls_wR_factor_gt          0.0645
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_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
C1 C 0.4142(3) 0.31801(19) 0.3131(4) 0.0484(9) Uani 1 1 d . . .
C2 C 0.4127(4) 0.2491(2) 0.2858(5) 0.0615(11) Uani 1 1 d . . .
C3 C 0.4787(4) 0.2062(2) 0.3792(6) 0.0749(14) Uani 1 1 d . . .
H3 H 0.4790 0.1604 0.3625 0.090 Uiso 1 1 calc R . .
C4 C 0.5433(4) 0.2282(3) 0.4944(6) 0.0767(14) Uani 1 1 d . . .
C5 C 0.5478(4) 0.2971(3) 0.5173(5) 0.0671(12) Uani 1 1 d . . .
H5 H 0.5948 0.3129 0.5944 0.080 Uiso 1 1 calc R . .
C6 C 0.4842(3) 0.3431(2) 0.4286(4) 0.0516(9) Uani 1 1 d . . .
C7 C 0.3471(5) 0.2193(3) 0.1624(6) 0.0869(18) Uani 1 1 d . . .
H7A H 0.3775 0.1756 0.1580 0.130 Uiso 1 1 calc R . .
H7B H 0.3536 0.2483 0.1015 0.130 Uiso 1 1 calc R . .
H7C H 0.2680 0.2151 0.1484 0.130 Uiso 1 1 calc R . .
C8 C 0.6109(6) 0.1795(3) 0.5942(7) 0.119(3) Uani 1 1 d . . .
H8A H 0.5813 0.1795 0.6557 0.179 Uiso 1 1 calc R . .
H8B H 0.6898 0.1930 0.6296 0.179 Uiso 1 1 calc R . .
H8C H 0.6049 0.1349 0.5608 0.179 Uiso 1 1 calc R . .
C9 C 0.4975(4) 0.4166(2) 0.4642(5) 0.0652(12) Uani 1 1 d . . .
H9A H 0.4419 0.4285 0.4953 0.098 Uiso 1 1 calc R . .
H9B H 0.4862 0.4437 0.3942 0.098 Uiso 1 1 calc R . .
H9C H 0.5730 0.4242 0.5258 0.098 Uiso 1 1 calc R . .
C10 C 0.1530(3) 0.33585(17) 0.0998(3) 0.0409(8) Uani 1 1 d . . .
C11 C 0.0994(3) 0.31615(17) 0.1753(3) 0.0423(8) Uani 1 1 d . . .
C12 C -0.0124(3) 0.2918(2) 0.1212(4) 0.0541(10) Uani 1 1 d . . .
H12 H -0.0482 0.2782 0.1709 0.065 Uiso 1 1 calc R . .
C13 C -0.0719(4) 0.2872(2) -0.0043(5) 0.0632(12) Uani 1 1 d . . .
C14 C -0.0158(4) 0.3068(2) -0.0751(4) 0.0622(12) Uani 1 1 d . . .
H14 H -0.0547 0.3037 -0.1592 0.075 Uiso 1 1 calc R . .
C15 C 0.0965(4) 0.33107(18) -0.0274(3) 0.0496(9) Uani 1 1 d . . .
C16 C 0.1553(3) 0.32104(17) 0.3107(3) 0.0428(8) Uani 1 1 d . . .
H16A H 0.2306 0.3007 0.3391 0.051 Uiso 1 1 calc R . .
H16B H 0.1109 0.2952 0.3445 0.051 Uiso 1 1 calc R . .
C17 C 0.1510(5) 0.3511(2) -0.1124(4) 0.0680(13) Uani 1 1 d . . .
H17A H 0.0985 0.3425 -0.1949 0.102 Uiso 1 1 calc R . .
H17B H 0.2194 0.3252 -0.0939 0.102 Uiso 1 1 calc R . .
H17C H 0.1696 0.3982 -0.1026 0.102 Uiso 1 1 calc R . .
C18 C -0.1941(4) 0.2629(3) -0.0625(6) 0.102(2) Uani 1 1 d . . .
H18A H -0.2449 0.3009 -0.0821 0.153 Uiso 1 1 calc R . .
H18B H -0.2091 0.2338 -0.0069 0.153 Uiso 1 1 calc R . .
H18C H -0.2060 0.2384 -0.1355 0.153 Uiso 1 1 calc R . .
C19 C -0.0063(3) 0.43808(17) 0.3232(3) 0.0387(7) Uani 1 1 d . . .
C20 C -0.0473(3) 0.42360(18) 0.4121(3) 0.0446(8) Uani 1 1 d . . .
C21 C -0.1623(4) 0.4363(2) 0.3838(4) 0.0539(10) Uani 1 1 d . . .
H21 H -0.1907 0.4273 0.4420 0.065 Uiso 1 1 calc R . .
C22 C -0.2354(3) 0.4616(2) 0.2728(4) 0.0528(10) Uani 1 1 d . . .
C23 C -0.1930(3) 0.4718(2) 0.1853(4) 0.0477(9) Uani 1 1 d . . .
H23 H -0.2429 0.4864 0.1085 0.057 Uiso 1 1 calc R . .
C24 C -0.0785(3) 0.46093(17) 0.2075(3) 0.0399(7) Uani 1 1 d . . .
C25 C 0.0267(4) 0.3941(2) 0.5360(4) 0.0592(11) Uani 1 1 d . . .
H25A H -0.0171 0.3910 0.5842 0.089 Uiso 1 1 calc R . .
H25B H 0.0917 0.4228 0.5763 0.089 Uiso 1 1 calc R . .
H25C H 0.0522 0.3499 0.5258 0.089 Uiso 1 1 calc R . .
C26 C -0.3581(4) 0.4794(3) 0.2470(6) 0.0870(17) Uani 1 1 d . . .
H26A H -0.3877 0.4475 0.2868 0.130 Uiso 1 1 calc R . .
H26B H -0.4033 0.4780 0.1608 0.130 Uiso 1 1 calc R . .
H26C H -0.3610 0.5239 0.2770 0.130 Uiso 1 1 calc R . .
C27 C -0.0417(3) 0.4747(2) 0.1061(3) 0.0478(9) Uani 1 1 d . . .
H27A H -0.0090 0.5191 0.1158 0.072 Uiso 1 1 calc R . .
H27B H -0.1067 0.4720 0.0294 0.072 Uiso 1 1 calc R . .
H27C H 0.0143 0.4419 0.1083 0.072 Uiso 1 1 calc R . .
Cl1 Cl 0.35259(9) 0.55198(6) 0.16288(11) 0.0586(3) Uani 1 1 d . . .
Cl2 Cl 0.19096(9) 0.58444(5) 0.32320(9) 0.0513(2) Uani 1 1 d . . .
Pd1 Pd 0.25456(2) 0.489039(13) 0.25459(2) 0.03559(8) Uani 1 1 d . . .
Te1 Te 0.31454(2) 0.385967(12) 0.16959(2) 0.04465(8) Uani 1 1 d . . .
Te2 Te 0.172878(19) 0.423369(12) 0.379148(19) 0.03944(8) 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 1.402(6) . ?
C1 C2 1.404(6) . ?
C1 Te1 2.151(4) . ?
C2 C3 1.387(7) . ?
C2 C7 1.497(7) . ?
C3 C4 1.364(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(7) . ?
C4 C8 1.509(7) . ?
C5 C6 1.387(6) . ?
C5 H5 0.9300 . ?
C6 C9 1.508(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.399(5) . ?
C10 C15 1.405(5) . ?
C10 Te1 2.135(4) . ?
C11 C12 1.395(5) . ?
C11 C16 1.493(5) . ?
C12 C13 1.390(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(7) . ?
C13 C18 1.510(6) . ?
C14 C15 1.399(6) . ?
C14 H14 0.9300 . ?
C15 C17 1.508(6) . ?
C16 Te2 2.166(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
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 C24 1.396(5) . ?
C19 C20 1.400(5) . ?
C19 Te2 2.133(3) . ?
C20 C21 1.393(6) . ?
C20 C25 1.520(6) . ?
C21 C22 1.375(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(6) . ?
C22 C26 1.514(6) . ?
C23 C24 1.396(5) . ?
C23 H23 0.9300 . ?
C24 C27 1.503(5) . ?
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 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
Cl1 Pd1 2.3419(10) . ?
Cl2 Pd1 2.3389(9) . ?
Pd1 Te2 2.5137(3) . ?
Pd1 Te1 2.5402(3) . ?

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 121.3(4) . . ?
C6 C1 Te1 120.3(3) . . ?
C2 C1 Te1 118.3(3) . . ?
C3 C2 C1 117.4(4) . . ?
C3 C2 C7 118.2(4) . . ?
C1 C2 C7 124.3(4) . . ?
C4 C3 C2 123.0(5) . . ?
C4 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
C3 C4 C5 118.3(5) . . ?
C3 C4 C8 121.2(6) . . ?
C5 C4 C8 120.5(6) . . ?
C6 C5 C4 121.9(5) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C5 C6 C1 117.9(4) . . ?
C5 C6 C9 116.9(4) . . ?
C1 C6 C9 125.2(4) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 121.2(3) . . ?
C11 C10 Te1 121.9(3) . . ?
C15 C10 Te1 116.4(3) . . ?
C12 C11 C10 118.4(4) . . ?
C12 C11 C16 118.4(4) . . ?
C10 C11 C16 123.2(3) . . ?
C13 C12 C11 122.2(4) . . ?
C13 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C14 C13 C12 117.5(4) . . ?
C14 C13 C18 120.5(5) . . ?
C12 C13 C18 122.0(5) . . ?
C13 C14 C15 123.6(4) . . ?
C13 C14 H14 118.2 . . ?
C15 C14 H14 118.2 . . ?
C14 C15 C10 117.1(4) . . ?
C14 C15 C17 119.7(4) . . ?
C10 C15 C17 123.2(4) . . ?
C11 C16 Te2 113.9(2) . . ?
C11 C16 H16A 108.8 . . ?
Te2 C16 H16A 108.8 . . ?
C11 C16 H16B 108.8 . . ?
Te2 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 121.8(3) . . ?
C24 C19 Te2 123.3(3) . . ?
C20 C19 Te2 114.9(3) . . ?
C21 C20 C19 117.7(4) . . ?
C21 C20 C25 118.9(3) . . ?
C19 C20 C25 123.4(4) . . ?
C22 C21 C20 122.5(4) . . ?
C22 C21 H21 118.8 . . ?
C20 C21 H21 118.8 . . ?
C21 C22 C23 118.0(4) . . ?
C21 C22 C26 121.5(4) . . ?
C23 C22 C26 120.5(4) . . ?
C22 C23 C24 122.7(4) . . ?
C22 C23 H23 118.7 . . ?
C24 C23 H23 118.7 . . ?
C19 C24 C23 117.2(3) . . ?
C19 C24 C27 124.7(3) . . ?
C23 C24 C27 118.1(3) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Cl2 Pd1 Cl1 93.85(4) . . ?
Cl2 Pd1 Te2 85.30(3) . . ?
Cl1 Pd1 Te2 172.31(3) . . ?
Cl2 Pd1 Te1 177.01(3) . . ?
Cl1 Pd1 Te1 85.97(3) . . ?
Te2 Pd1 Te1 95.278(11) . . ?
C10 Te1 C1 100.76(14) . . ?
C10 Te1 Pd1 97.38(9) . . ?
C1 Te1 Pd1 110.96(10) . . ?
C19 Te2 C16 94.41(13) . . ?
C19 Te2 Pd1 113.44(9) . . ?
C16 Te2 Pd1 105.18(9) . . ?

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 3.2(7) . . . . ?
Te1 C1 C2 C3 179.2(4) . . . . ?
C6 C1 C2 C7 -175.3(5) . . . . ?
Te1 C1 C2 C7 0.7(6) . . . . ?
C1 C2 C3 C4 0.3(8) . . . . ?
C7 C2 C3 C4 178.9(5) . . . . ?
C2 C3 C4 C5 -3.6(9) . . . . ?
C2 C3 C4 C8 178.1(6) . . . . ?
C3 C4 C5 C6 3.5(8) . . . . ?
C8 C4 C5 C6 -178.2(6) . . . . ?
C4 C5 C6 C1 -0.1(7) . . . . ?
C4 C5 C6 C9 -179.3(5) . . . . ?
C2 C1 C6 C5 -3.3(6) . . . . ?
Te1 C1 C6 C5 -179.1(3) . . . . ?
C2 C1 C6 C9 175.8(4) . . . . ?
Te1 C1 C6 C9 -0.1(6) . . . . ?
C15 C10 C11 C12 -0.4(5) . . . . ?
Te1 C10 C11 C12 171.7(3) . . . . ?
C15 C10 C11 C16 -179.3(3) . . . . ?
Te1 C10 C11 C16 -7.2(5) . . . . ?
C10 C11 C12 C13 -0.7(6) . . . . ?
C16 C11 C12 C13 178.3(4) . . . . ?
C11 C12 C13 C14 1.0(6) . . . . ?
C11 C12 C13 C18 -178.1(4) . . . . ?
C12 C13 C14 C15 -0.3(6) . . . . ?
C18 C13 C14 C15 178.8(4) . . . . ?
C13 C14 C15 C10 -0.6(6) . . . . ?
C13 C14 C15 C17 179.8(4) . . . . ?
C11 C10 C15 C14 1.0(5) . . . . ?
Te1 C10 C15 C14 -171.5(3) . . . . ?
C11 C10 C15 C17 -179.4(4) . . . . ?
Te1 C10 C15 C17 8.1(5) . . . . ?
C12 C11 C16 Te2 -107.1(3) . . . . ?
C10 C11 C16 Te2 71.8(4) . . . . ?
C24 C19 C20 C21 -3.5(5) . . . . ?
Te2 C19 C20 C21 176.0(3) . . . . ?
C24 C19 C20 C25 175.7(4) . . . . ?
Te2 C19 C20 C25 -4.9(5) . . . . ?
C19 C20 C21 C22 0.5(6) . . . . ?
C25 C20 C21 C22 -178.6(4) . . . . ?
C20 C21 C22 C23 2.9(6) . . . . ?
C20 C21 C22 C26 -175.9(4) . . . . ?
C21 C22 C23 C24 -3.6(6) . . . . ?
C26 C22 C23 C24 175.2(4) . . . . ?
C20 C19 C24 C23 2.8(5) . . . . ?
Te2 C19 C24 C23 -176.6(3) . . . . ?
C20 C19 C24 C27 -177.3(3) . . . . ?
Te2 C19 C24 C27 3.2(5) . . . . ?
C22 C23 C24 C19 0.8(6) . . . . ?
C22 C23 C24 C27 -179.0(4) . . . . ?
C11 C10 Te1 C1 52.5(3) . . . . ?
C15 C10 Te1 C1 -135.1(3) . . . . ?
C11 C10 Te1 Pd1 -60.5(3) . . . . ?
C15 C10 Te1 Pd1 111.9(3) . . . . ?
C6 C1 Te1 C10 -133.7(3) . . . . ?
C2 C1 Te1 C10 50.4(3) . . . . ?
C6 C1 Te1 Pd1 -31.4(3) . . . . ?
C2 C1 Te1 Pd1 152.7(3) . . . . ?
Cl2 Pd1 Te1 C10 -47.7(6) . . . . ?
Cl1 Pd1 Te1 C10 -134.38(10) . . . . ?
Te2 Pd1 Te1 C10 53.23(10) . . . . ?
Cl2 Pd1 Te1 C1 -152.3(6) . . . . ?
Cl1 Pd1 Te1 C1 121.07(11) . . . . ?
Te2 Pd1 Te1 C1 -51.31(11) . . . . ?
C24 C19 Te2 C16 -87.2(3) . . . . ?
C20 C19 Te2 C16 93.4(3) . . . . ?
C24 C19 Te2 Pd1 21.5(3) . . . . ?
C20 C19 Te2 Pd1 -158.0(2) . . . . ?
C11 C16 Te2 C19 68.0(3) . . . . ?
C11 C16 Te2 Pd1 -47.7(3) . . . . ?
Cl2 Pd1 Te2 C19 60.38(10) . . . . ?
Cl1 Pd1 Te2 C19 144.3(2) . . . . ?
Te1 Pd1 Te2 C19 -116.67(10) . . . . ?
Cl2 Pd1 Te2 C16 162.18(11) . . . . ?
Cl1 Pd1 Te2 C16 -113.9(3) . . . . ?
Te1 Pd1 Te2 C16 -14.88(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.39
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.127
_database_code_depnum_ccdc_archive 'CCDC 996460'
