# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2012


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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
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#  except for the purpose of generating routine backup copies 
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data_raf005
_database_code_depnum_ccdc_archive 'CCDC 860684'
#TrackingRef '8894_web_deposit_cif_file_0_JothiLakshmiN._1325675677.raf005.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H42 Cl2 Pd2'
_chemical_formula_weight         662.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'

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

_cell_length_a                   7.28790(10)
_cell_length_b                   18.6931(3)
_cell_length_c                   21.3386(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2907.03(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    17166
_cell_measurement_theta_min      3.3785
_cell_measurement_theta_max      32.7885

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1344
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_T_min  0.6489
_exptl_absorpt_correction_T_max  0.7527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       \w/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21930
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.39
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5107
_reflns_number_gt                4674
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0411P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_number_reflns         5107
_refine_ls_number_parameters     297
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_ref         0.0632
_refine_ls_wR_factor_gt          0.0625
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.21125(4) 0.544773(17) 0.022165(14) 0.02565(8) Uani 1 1 d . . .
Pd2 Pd -0.11228(4) 0.465699(17) -0.064634(14) 0.02728(9) Uani 1 1 d . . .
Cl1 Cl -0.06692(13) 0.58656(5) -0.02841(5) 0.0367(2) Uani 1 1 d . . .
Cl2 Cl 0.09737(13) 0.42398(5) 0.01469(5) 0.0352(2) Uani 1 1 d . . .
C1 C 0.3750(5) 0.6392(2) 0.0256(2) 0.0283(8) Uani 1 1 d . . .
C2 C 0.4138(5) 0.5956(2) 0.07809(17) 0.0240(8) Uani 1 1 d . . .
C3 C 0.4679(5) 0.5250(2) 0.0651(2) 0.0294(9) Uani 1 1 d . . .
C4 C 0.4828(5) 0.4672(2) 0.11361(19) 0.0292(9) Uani 1 1 d . . .
H4A H 0.4284 0.4228 0.0964 0.035 Uiso 1 1 calc R . .
H4B H 0.4092 0.4813 0.1506 0.035 Uiso 1 1 calc R . .
C5 C 0.6791(5) 0.4510(2) 0.1351(2) 0.0355(10) Uani 1 1 d . . .
H5 H 0.7471 0.4300 0.0988 0.043 Uiso 1 1 calc R . .
C6 C 0.6750(7) 0.3951(2) 0.1874(2) 0.0448(12) Uani 1 1 d . . .
H6A H 0.7997 0.3776 0.1952 0.067 Uiso 1 1 calc R . .
H6B H 0.5966 0.3550 0.1748 0.067 Uiso 1 1 calc R . .
H6C H 0.6261 0.4168 0.2257 0.067 Uiso 1 1 calc R . .
C7 C 0.7810(6) 0.5169(3) 0.1563(2) 0.0447(12) Uani 1 1 d . . .
H7A H 0.7962 0.5495 0.1207 0.067 Uiso 1 1 calc R . .
H7B H 0.9019 0.5031 0.1724 0.067 Uiso 1 1 calc R . .
H7C H 0.7112 0.5408 0.1894 0.067 Uiso 1 1 calc R . .
C8 C 0.3645(5) 0.6269(2) 0.14074(18) 0.0285(9) Uani 1 1 d . . .
H8 H 0.3860 0.5954 0.1779 0.034 Uiso 1 1 calc R . .
C9 C 0.1722(5) 0.6622(2) 0.1365(2) 0.0343(10) Uani 1 1 d . . .
H9A H 0.0861 0.6377 0.1077 0.041 Uiso 1 1 calc R . .
H9B H 0.1145 0.6722 0.1775 0.041 Uiso 1 1 calc R . .
C10 C 0.2727(6) 0.7265(2) 0.1073(2) 0.0349(10) Uani 1 1 d . . .
H10 H 0.2214 0.7744 0.1184 0.042 Uiso 1 1 calc R . .
C11 C 0.2971(5) 0.7130(2) 0.03793(18) 0.0335(10) Uani 1 1 d . . .
H11A H 0.3807 0.7495 0.0202 0.040 Uiso 1 1 calc R . .
H11B H 0.1770 0.7176 0.0166 0.040 Uiso 1 1 calc R . .
C12 C 0.4458(5) 0.7037(2) 0.14484(19) 0.0324(10) Uani 1 1 d . . .
C13 C 0.6346(5) 0.7184(2) 0.1176(2) 0.0363(10) Uani 1 1 d . . .
H13A H 0.7289 0.7017 0.1468 0.054 Uiso 1 1 calc R . .
H13B H 0.6491 0.7699 0.1107 0.054 Uiso 1 1 calc R . .
H13C H 0.6475 0.6932 0.0776 0.054 Uiso 1 1 calc R . .
C14 C 0.4413(7) 0.7328(3) 0.2123(2) 0.0462(12) Uani 1 1 d . . .
H14A H 0.5333 0.7079 0.2376 0.069 Uiso 1 1 calc R . .
H14B H 0.3192 0.7250 0.2303 0.069 Uiso 1 1 calc R . .
H14C H 0.4684 0.7842 0.2118 0.069 Uiso 1 1 calc R . .
C15 C -0.1445(5) 0.3709(2) -0.1180(2) 0.0287(9) Uani 1 1 d . . .
C16 C -0.3119(5) 0.4114(2) -0.11970(17) 0.0254(9) Uani 1 1 d . . .
C17 C -0.2939(5) 0.4824(2) -0.14039(18) 0.0270(9) Uani 1 1 d . . .
C18 C -0.4467(5) 0.5372(2) -0.13475(18) 0.0311(9) Uani 1 1 d . . .
H18A H -0.3919 0.5840 -0.1238 0.037 Uiso 1 1 calc R . .
H18B H -0.5284 0.5229 -0.0998 0.037 Uiso 1 1 calc R . .
C19 C -0.5617(6) 0.5462(3) -0.1935(2) 0.0383(10) Uani 1 1 d . . .
H19 H -0.4768 0.5533 -0.2298 0.046 Uiso 1 1 calc R . .
C20 C -0.6785(7) 0.4805(3) -0.2064(2) 0.0510(14) Uani 1 1 d . . .
H20A H -0.5990 0.4385 -0.2109 0.077 Uiso 1 1 calc R . .
H20B H -0.7483 0.4876 -0.2452 0.077 Uiso 1 1 calc R . .
H20C H -0.7636 0.4729 -0.1715 0.077 Uiso 1 1 calc R . .
C21 C -0.6823(7) 0.6130(3) -0.1873(3) 0.0559(14) Uani 1 1 d . . .
H21A H -0.7617 0.6081 -0.1505 0.084 Uiso 1 1 calc R . .
H21B H -0.7580 0.6182 -0.2249 0.084 Uiso 1 1 calc R . .
H21C H -0.6042 0.6553 -0.1824 0.084 Uiso 1 1 calc R . .
C22 C -0.4756(5) 0.3766(2) -0.08893(18) 0.0259(9) Uani 1 1 d . . .
H22 H -0.5913 0.4054 -0.0879 0.031 Uiso 1 1 calc R . .
C23 C -0.4151(5) 0.3417(2) -0.02565(19) 0.0287(8) Uani 1 1 d . . .
H23A H -0.3173 0.3682 -0.0033 0.034 Uiso 1 1 calc R . .
H23B H -0.5179 0.3297 0.0028 0.034 Uiso 1 1 calc R . .
C24 C -0.3452(5) 0.2782(2) -0.0650(2) 0.0300(9) Uani 1 1 d . . .
H24 H -0.3589 0.2301 -0.0450 0.036 Uiso 1 1 calc R . .
C25 C -0.1519(5) 0.2960(2) -0.0890(2) 0.0315(10) Uani 1 1 d . . .
H25A H -0.0637 0.2933 -0.0538 0.038 Uiso 1 1 calc R . .
H25B H -0.1150 0.2602 -0.1208 0.038 Uiso 1 1 calc R . .
C26 C -0.4927(5) 0.2972(2) -0.11497(19) 0.0292(9) Uani 1 1 d . . .
C27 C -0.6780(5) 0.2657(2) -0.0984(2) 0.0376(10) Uani 1 1 d . . .
H27A H -0.7693 0.2812 -0.1293 0.056 Uiso 1 1 calc R . .
H27B H -0.7147 0.2821 -0.0567 0.056 Uiso 1 1 calc R . .
H27C H -0.6699 0.2133 -0.0987 0.056 Uiso 1 1 calc R . .
C28 C -0.4508(6) 0.2819(3) -0.1832(2) 0.0370(10) Uani 1 1 d . . .
H28A H -0.4457 0.2300 -0.1899 0.055 Uiso 1 1 calc R . .
H28B H -0.3323 0.3032 -0.1943 0.055 Uiso 1 1 calc R . .
H28C H -0.5473 0.3025 -0.2096 0.055 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pd1 0.02276(13) 0.02465(17) 0.02953(16) -0.00088(14) -0.00456(12) -0.00363(13)
Pd2 0.02267(14) 0.02353(17) 0.03564(17) -0.00063(14) -0.00467(12) -0.00311(13)
Cl1 0.0324(5) 0.0248(6) 0.0531(7) -0.0023(5) -0.0174(5) -0.0005(4)
Cl2 0.0312(5) 0.0234(5) 0.0510(6) -0.0011(5) -0.0133(5) -0.0021(4)
C1 0.0251(18) 0.027(2) 0.033(2) 0.0045(18) -0.0067(18) -0.0093(16)
C2 0.0154(17) 0.029(2) 0.027(2) 0.0010(16) -0.0004(15) -0.0075(15)
C3 0.0215(17) 0.032(2) 0.035(2) -0.0008(19) -0.0060(16) -0.0060(16)
C4 0.0294(19) 0.024(2) 0.034(2) -0.0021(19) -0.0013(16) 0.0020(18)
C5 0.032(2) 0.037(3) 0.037(2) -0.002(2) -0.0045(16) 0.004(2)
C6 0.053(3) 0.032(3) 0.049(3) -0.001(2) -0.011(2) 0.010(2)
C7 0.037(2) 0.042(3) 0.055(3) 0.009(2) -0.014(2) -0.003(2)
C8 0.029(2) 0.032(2) 0.025(2) -0.0008(17) 0.0022(16) -0.0054(17)
C9 0.027(2) 0.035(3) 0.040(3) -0.0062(19) 0.0061(17) -0.0033(18)
C10 0.032(2) 0.027(2) 0.046(3) -0.005(2) 0.000(2) -0.0014(18)
C11 0.029(2) 0.029(2) 0.042(3) 0.0062(18) -0.0061(19) -0.0075(19)
C12 0.033(2) 0.036(3) 0.028(2) -0.0041(19) 0.0015(18) -0.0046(18)
C13 0.031(2) 0.039(3) 0.040(3) -0.006(2) -0.0050(18) -0.0136(19)
C14 0.049(3) 0.046(3) 0.043(3) -0.016(2) 0.006(2) -0.011(2)
C15 0.0234(19) 0.029(2) 0.033(2) -0.0067(17) -0.0048(16) -0.0006(16)
C16 0.0269(19) 0.027(2) 0.022(2) -0.0048(16) -0.0009(16) -0.0020(17)
C17 0.0256(18) 0.024(2) 0.031(2) -0.0030(16) -0.0045(17) -0.0013(16)
C18 0.035(2) 0.025(2) 0.034(2) -0.0014(19) -0.0002(16) -0.0012(19)
C19 0.042(2) 0.039(3) 0.034(2) 0.002(2) -0.0058(18) 0.008(2)
C20 0.053(3) 0.045(3) 0.055(3) 0.000(2) -0.032(2) 0.005(2)
C21 0.060(3) 0.045(3) 0.063(3) 0.006(3) -0.011(3) 0.024(3)
C22 0.0187(18) 0.030(2) 0.029(2) -0.0004(17) -0.0008(15) -0.0005(16)
C23 0.031(2) 0.028(2) 0.027(2) 0.0046(18) 0.0017(18) 0.0000(16)
C24 0.031(2) 0.023(2) 0.036(2) 0.0045(19) -0.0012(17) -0.0028(16)
C25 0.028(2) 0.027(2) 0.039(3) -0.0070(18) -0.0054(16) 0.0017(17)
C26 0.026(2) 0.029(2) 0.033(2) -0.0018(18) -0.0010(17) -0.0032(17)
C27 0.030(2) 0.038(3) 0.044(3) 0.001(2) 0.0031(19) -0.0082(19)
C28 0.035(2) 0.038(3) 0.038(3) -0.006(2) -0.0039(19) -0.004(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C3 2.115(4) . ?
Pd1 C2 2.123(4) . ?
Pd1 C1 2.131(4) . ?
Pd1 Cl2 2.4109(10) . ?
Pd1 Cl1 2.4259(10) . ?
Pd2 C17 2.112(4) . ?
Pd2 C15 2.120(4) . ?
Pd2 C16 2.128(4) . ?
Pd2 Cl2 2.4099(10) . ?
Pd2 Cl1 2.4106(10) . ?
C1 C2 1.414(5) . ?
C1 C11 1.515(6) . ?
C2 C3 1.405(6) . ?
C2 C8 1.503(5) . ?
C3 C4 1.501(6) . ?
C4 C5 1.533(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C7 1.507(6) . ?
C5 C6 1.529(6) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.551(6) . ?
C8 C12 1.555(6) . ?
C8 H8 1.0000 . ?
C9 C10 1.539(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.511(6) . ?
C10 C12 1.554(6) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.519(6) . ?
C12 C14 1.539(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.436(5) . ?
C15 C25 1.531(6) . ?
C16 C17 1.405(5) . ?
C16 C22 1.509(5) . ?
C17 C18 1.518(5) . ?
C18 C19 1.518(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.520(7) . ?
C19 C21 1.532(6) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.563(6) . ?
C22 C26 1.590(6) . ?
C22 H22 1.0000 . ?
C23 C24 1.539(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.536(5) . ?
C24 C26 1.555(6) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.515(5) . ?
C26 C28 1.516(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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
C3 Pd1 C2 38.73(15) . . ?
C3 Pd1 C1 68.57(15) . . ?
C2 Pd1 C1 38.82(15) . . ?
C3 Pd1 Cl2 99.76(11) . . ?
C2 Pd1 Cl2 134.10(11) . . ?
C1 Pd1 Cl2 166.01(11) . . ?
C3 Pd1 Cl1 171.07(11) . . ?
C2 Pd1 Cl1 133.40(11) . . ?
C1 Pd1 Cl1 102.50(11) . . ?
Cl2 Pd1 Cl1 89.11(3) . . ?
C17 Pd2 C15 69.07(15) . . ?
C17 Pd2 C16 38.69(15) . . ?
C15 Pd2 C16 39.52(15) . . ?
C17 Pd2 Cl2 169.26(11) . . ?
C15 Pd2 Cl2 100.19(11) . . ?
C16 Pd2 Cl2 131.82(11) . . ?
C17 Pd2 Cl1 101.14(11) . . ?
C15 Pd2 Cl1 166.18(12) . . ?
C16 Pd2 Cl1 135.90(11) . . ?
Cl2 Pd2 Cl1 89.49(3) . . ?
Pd2 Cl1 Pd1 87.45(3) . . ?
Pd2 Cl2 Pd1 87.80(3) . . ?
C2 C1 C11 117.5(3) . . ?
C2 C1 Pd1 70.3(2) . . ?
C11 C1 Pd1 123.4(3) . . ?
C3 C2 C1 116.1(3) . . ?
C3 C2 C8 127.5(4) . . ?
C1 C2 C8 115.7(3) . . ?
C3 C2 Pd1 70.3(2) . . ?
C1 C2 Pd1 70.9(2) . . ?
C8 C2 Pd1 120.5(2) . . ?
C2 C3 C4 124.1(4) . . ?
C2 C3 Pd1 70.9(2) . . ?
C4 C3 Pd1 119.2(3) . . ?
C3 C4 C5 114.6(3) . . ?
C3 C4 H4A 108.6 . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
C5 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C7 C5 C6 110.5(4) . . ?
C7 C5 C4 112.8(4) . . ?
C6 C5 C4 109.6(3) . . ?
C7 C5 H5 107.9 . . ?
C6 C5 H5 107.9 . . ?
C4 C5 H5 107.9 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 C9 109.2(3) . . ?
C2 C8 C12 108.5(3) . . ?
C9 C8 C12 87.4(3) . . ?
C2 C8 H8 116.0 . . ?
C9 C8 H8 116.0 . . ?
C12 C8 H8 116.0 . . ?
C10 C9 C8 85.8(3) . . ?
C10 C9 H9A 114.4 . . ?
C8 C9 H9A 114.4 . . ?
C10 C9 H9B 114.4 . . ?
C8 C9 H9B 114.4 . . ?
H9A C9 H9B 111.5 . . ?
C11 C10 C9 108.8(3) . . ?
C11 C10 C12 111.3(3) . . ?
C9 C10 C12 87.9(3) . . ?
C11 C10 H10 115.2 . . ?
C9 C10 H10 115.2 . . ?
C12 C10 H10 115.2 . . ?
C10 C11 C1 111.5(3) . . ?
C10 C11 H11A 109.3 . . ?
C1 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C1 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C14 108.3(4) . . ?
C13 C12 C8 119.4(4) . . ?
C14 C12 C8 111.8(4) . . ?
C13 C12 C10 119.2(4) . . ?
C14 C12 C10 111.6(4) . . ?
C8 C12 C10 85.1(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C25 117.5(3) . . ?
C16 C15 Pd2 70.6(2) . . ?
C25 C15 Pd2 123.4(3) . . ?
C17 C16 C15 115.2(4) . . ?
C17 C16 C22 128.1(4) . . ?
C15 C16 C22 115.7(3) . . ?
C17 C16 Pd2 70.0(2) . . ?
C15 C16 Pd2 69.9(2) . . ?
C22 C16 Pd2 120.4(3) . . ?
C16 C17 C18 123.0(4) . . ?
C16 C17 Pd2 71.3(2) . . ?
C18 C17 Pd2 119.9(3) . . ?
C17 C18 C19 114.5(3) . . ?
C17 C18 H18A 108.6 . . ?
C19 C18 H18A 108.6 . . ?
C17 C18 H18B 108.6 . . ?
C19 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
C18 C19 C20 111.7(4) . . ?
C18 C19 C21 109.6(4) . . ?
C20 C19 C21 110.6(4) . . ?
C18 C19 H19 108.3 . . ?
C20 C19 H19 108.3 . . ?
C21 C19 H19 108.3 . . ?
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 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C22 C23 109.4(3) . . ?
C16 C22 C26 108.2(3) . . ?
C23 C22 C26 86.2(3) . . ?
C16 C22 H22 116.3 . . ?
C23 C22 H22 116.3 . . ?
C26 C22 H22 116.3 . . ?
C24 C23 C22 86.8(3) . . ?
C24 C23 H23A 114.2 . . ?
C22 C23 H23A 114.2 . . ?
C24 C23 H23B 114.2 . . ?
C22 C23 H23B 114.2 . . ?
H23A C23 H23B 111.3 . . ?
C25 C24 C23 108.6(3) . . ?
C25 C24 C26 110.8(3) . . ?
C23 C24 C26 88.3(3) . . ?
C25 C24 H24 115.3 . . ?
C23 C24 H24 115.3 . . ?
C26 C24 H24 115.3 . . ?
C15 C25 C24 111.4(3) . . ?
C15 C25 H25A 109.3 . . ?
C24 C25 H25A 109.3 . . ?
C15 C25 H25B 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C28 109.3(4) . . ?
C27 C26 C24 111.6(3) . . ?
C28 C26 C24 118.5(3) . . ?
C27 C26 C22 110.6(3) . . ?
C28 C26 C22 119.8(4) . . ?
C24 C26 C22 85.3(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

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
C17 Pd2 Cl1 Pd1 -159.84(11) . . . . ?
C15 Pd2 Cl1 Pd1 -116.3(4) . . . . ?
C16 Pd2 Cl1 Pd1 -179.80(15) . . . . ?
Cl2 Pd2 Cl1 Pd1 18.58(4) . . . . ?
C3 Pd1 Cl1 Pd2 155.0(7) . . . . ?
C2 Pd1 Cl1 Pd2 -179.15(13) . . . . ?
C1 Pd1 Cl1 Pd2 153.55(12) . . . . ?
Cl2 Pd1 Cl1 Pd2 -18.57(4) . . . . ?
C17 Pd2 Cl2 Pd1 153.0(6) . . . . ?
C15 Pd2 Cl2 Pd1 151.40(11) . . . . ?
C16 Pd2 Cl2 Pd1 178.43(14) . . . . ?
Cl1 Pd2 Cl2 Pd1 -18.69(4) . . . . ?
C3 Pd1 Cl2 Pd2 -160.41(12) . . . . ?
C2 Pd1 Cl2 Pd2 178.91(14) . . . . ?
C1 Pd1 Cl2 Pd2 -127.8(5) . . . . ?
Cl1 Pd1 Cl2 Pd2 18.57(4) . . . . ?
C3 Pd1 C1 C2 -31.9(2) . . . . ?
Cl2 Pd1 C1 C2 -66.6(6) . . . . ?
Cl1 Pd1 C1 C2 147.9(2) . . . . ?
C3 Pd1 C1 C11 -142.4(4) . . . . ?
C2 Pd1 C1 C11 -110.5(4) . . . . ?
Cl2 Pd1 C1 C11 -177.2(3) . . . . ?
Cl1 Pd1 C1 C11 37.4(3) . . . . ?
C11 C1 C2 C3 173.7(3) . . . . ?
Pd1 C1 C2 C3 55.5(3) . . . . ?
C11 C1 C2 C8 2.7(5) . . . . ?
Pd1 C1 C2 C8 -115.5(3) . . . . ?
C11 C1 C2 Pd1 118.2(3) . . . . ?
C1 Pd1 C2 C3 -128.2(3) . . . . ?
Cl2 Pd1 C2 C3 33.8(3) . . . . ?
Cl1 Pd1 C2 C3 -173.78(19) . . . . ?
C3 Pd1 C2 C1 128.2(3) . . . . ?
Cl2 Pd1 C2 C1 161.99(19) . . . . ?
Cl1 Pd1 C2 C1 -45.6(3) . . . . ?
C3 Pd1 C2 C8 -122.6(4) . . . . ?
C1 Pd1 C2 C8 109.2(4) . . . . ?
Cl2 Pd1 C2 C8 -88.8(3) . . . . ?
Cl1 Pd1 C2 C8 63.6(3) . . . . ?
C1 C2 C3 C4 -168.8(3) . . . . ?
C8 C2 C3 C4 1.0(6) . . . . ?
Pd1 C2 C3 C4 -113.0(3) . . . . ?
C1 C2 C3 Pd1 -55.8(3) . . . . ?
C8 C2 C3 Pd1 114.0(4) . . . . ?
C1 Pd1 C3 C2 32.0(2) . . . . ?
Cl2 Pd1 C3 C2 -156.1(2) . . . . ?
Cl1 Pd1 C3 C2 30.5(9) . . . . ?
C2 Pd1 C3 C4 119.1(4) . . . . ?
C1 Pd1 C3 C4 151.0(4) . . . . ?
Cl2 Pd1 C3 C4 -37.0(3) . . . . ?
Cl1 Pd1 C3 C4 149.6(6) . . . . ?
C2 C3 C4 C5 -101.9(4) . . . . ?
Pd1 C3 C4 C5 172.3(3) . . . . ?
C3 C4 C5 C7 52.7(5) . . . . ?
C3 C4 C5 C6 176.2(3) . . . . ?
C3 C2 C8 C9 -126.0(4) . . . . ?
C1 C2 C8 C9 43.8(4) . . . . ?
Pd1 C2 C8 C9 -38.3(4) . . . . ?
C3 C2 C8 C12 140.1(4) . . . . ?
C1 C2 C8 C12 -50.1(4) . . . . ?
Pd1 C2 C8 C12 -132.2(3) . . . . ?
C2 C8 C9 C10 -81.1(3) . . . . ?
C12 C8 C9 C10 27.7(3) . . . . ?
C8 C9 C10 C11 84.2(4) . . . . ?
C8 C9 C10 C12 -27.7(3) . . . . ?
C9 C10 C11 C1 -48.8(4) . . . . ?
C12 C10 C11 C1 46.5(5) . . . . ?
C2 C1 C11 C10 -0.6(5) . . . . ?
Pd1 C1 C11 C10 82.9(4) . . . . ?
C2 C8 C12 C13 -38.9(5) . . . . ?
C9 C8 C12 C13 -148.3(4) . . . . ?
C2 C8 C12 C14 -166.7(4) . . . . ?
C9 C8 C12 C14 83.9(4) . . . . ?
C2 C8 C12 C10 82.0(3) . . . . ?
C9 C8 C12 C10 -27.4(3) . . . . ?
C11 C10 C12 C13 39.3(5) . . . . ?
C9 C10 C12 C13 148.7(4) . . . . ?
C11 C10 C12 C14 166.7(4) . . . . ?
C9 C10 C12 C14 -83.9(4) . . . . ?
C11 C10 C12 C8 -81.8(4) . . . . ?
C9 C10 C12 C8 27.6(3) . . . . ?
C17 Pd2 C15 C16 -31.8(2) . . . . ?
Cl2 Pd2 C15 C16 147.8(2) . . . . ?
Cl1 Pd2 C15 C16 -78.3(5) . . . . ?
C17 Pd2 C15 C25 -142.6(3) . . . . ?
C16 Pd2 C15 C25 -110.7(4) . . . . ?
Cl2 Pd2 C15 C25 37.1(3) . . . . ?
Cl1 Pd2 C15 C25 171.0(3) . . . . ?
C25 C15 C16 C17 173.3(3) . . . . ?
Pd2 C15 C16 C17 55.0(3) . . . . ?
C25 C15 C16 C22 3.4(5) . . . . ?
Pd2 C15 C16 C22 -114.9(3) . . . . ?
C25 C15 C16 Pd2 118.3(4) . . . . ?
C15 Pd2 C16 C17 -128.0(3) . . . . ?
Cl2 Pd2 C16 C17 -172.64(19) . . . . ?
Cl1 Pd2 C16 C17 32.4(3) . . . . ?
C17 Pd2 C16 C15 128.0(3) . . . . ?
Cl2 Pd2 C16 C15 -44.7(3) . . . . ?
Cl1 Pd2 C16 C15 160.37(19) . . . . ?
C17 Pd2 C16 C22 -123.3(4) . . . . ?
C15 Pd2 C16 C22 108.7(4) . . . . ?
Cl2 Pd2 C16 C22 64.1(3) . . . . ?
Cl1 Pd2 C16 C22 -90.9(3) . . . . ?
C15 C16 C17 C18 -169.0(4) . . . . ?
C22 C16 C17 C18 -0.5(6) . . . . ?
Pd2 C16 C17 C18 -114.0(4) . . . . ?
C15 C16 C17 Pd2 -54.9(3) . . . . ?
C22 C16 C17 Pd2 113.5(4) . . . . ?
C15 Pd2 C17 C16 32.5(2) . . . . ?
Cl2 Pd2 C17 C16 30.8(7) . . . . ?
Cl1 Pd2 C17 C16 -157.7(2) . . . . ?
C15 Pd2 C17 C18 150.4(3) . . . . ?
C16 Pd2 C17 C18 117.9(4) . . . . ?
Cl2 Pd2 C17 C18 148.7(5) . . . . ?
Cl1 Pd2 C17 C18 -39.8(3) . . . . ?
C16 C17 C18 C19 -96.6(5) . . . . ?
Pd2 C17 C18 C19 177.4(3) . . . . ?
C17 C18 C19 C20 69.1(5) . . . . ?
C17 C18 C19 C21 -168.0(4) . . . . ?
C17 C16 C22 C23 -125.8(4) . . . . ?
C15 C16 C22 C23 42.6(5) . . . . ?
Pd2 C16 C22 C23 -38.2(4) . . . . ?
C17 C16 C22 C26 141.7(4) . . . . ?
C15 C16 C22 C26 -49.9(4) . . . . ?
Pd2 C16 C22 C26 -130.7(3) . . . . ?
C16 C22 C23 C24 -81.0(3) . . . . ?
C26 C22 C23 C24 27.0(3) . . . . ?
C22 C23 C24 C25 83.8(3) . . . . ?
C22 C23 C24 C26 -27.6(3) . . . . ?
C16 C15 C25 C24 -1.2(5) . . . . ?
Pd2 C15 C25 C24 82.8(4) . . . . ?
C23 C24 C25 C15 -48.2(4) . . . . ?
C26 C24 C25 C15 47.2(4) . . . . ?
C25 C24 C26 C27 167.6(4) . . . . ?
C23 C24 C26 C27 -83.1(4) . . . . ?
C25 C24 C26 C28 39.4(5) . . . . ?
C23 C24 C26 C28 148.7(4) . . . . ?
C25 C24 C26 C22 -82.1(4) . . . . ?
C23 C24 C26 C22 27.2(3) . . . . ?
C16 C22 C26 C27 -166.2(3) . . . . ?
C23 C22 C26 C27 84.6(4) . . . . ?
C16 C22 C26 C28 -37.9(5) . . . . ?
C23 C22 C26 C28 -147.1(3) . . . . ?
C16 C22 C26 C24 82.4(3) . . . . ?
C23 C22 C26 C24 -26.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.963
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.072