data_global
_audit_creation_method                  'APEX2 v2011.4-1'

_publ_requested_journal                 ?

_publ_contact_author_name               ?
_publ_contact_author_address            
;
;
_publ_contact_author_email              ?
_publ_contact_author_fax                ?
_publ_contact_author_phone              ?

_publ_section_title                     
;
;
_publ_section_abstract                  
;
;
_publ_section_references                
;
;
_publ_section_comment                   
;
;

data_I
_chemical_name_systematic               ?
_chemical_name_common                   Organometallic
_chemical_formula_moiety                ?
_chemical_formula_sum                   'C31 H35 Cl N2 Pd'
_chemical_formula_iupac                 ?
_chemical_formula_weight                577.50

_chemical_melting_point                 ?

_space_group_crystal_system             monoclinic
_space_group_name_H-M_alt               'P 1 21/n 1'
_space_group_name_Hall                  '-P 2yn'
loop_
    _space_group_symop_operation_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                          12.4294(7)
_cell_length_b                          14.4970(8)
_cell_length_c                          16.4555(10)
_cell_angle_alpha                       90
_cell_angle_beta                        90.4630(10)
_cell_angle_gamma                       90
_cell_volume                            2965.0(3)
_cell_formula_units_Z                   4
_cell_measurement_reflns_used           9963
_cell_measurement_theta_min             2.1583
_cell_measurement_theta_max             30.2260
_cell_measurement_temperature           273.(2)

_exptl_crystal_description              Disc
_exptl_crystal_colour                   'translucent pale colourless'
_exptl_crystal_size_max                 0.350
_exptl_crystal_size_mid                 0.250
_exptl_crystal_size_min                 0.150
_exptl_crystal_density_diffrn           1.217
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    1056

_exptl_absorpt_coefficient_mu           0.733
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min         0.69
_exptl_absorpt_correction_T_max         0.90

_exptl_special_details                  
;
; 

_diffrn_ambient_temperature             273.(2)

_diffrn_source                          ?
_diffrn_source_type                     ?

_diffrn_radiation_type                  ?
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_monochromator         ?

_diffrn_measurement_device_type         ?
_diffrn_measurement_method              ?

_diffrn_detector_area_resol_mean        8.3660

_diffrn_reflns_number                   18746
_diffrn_reflns_av_R_equivalents         0.0256
_diffrn_reflns_av_sigmaI/netI           0.0244
_diffrn_reflns_theta_min                1.87
_diffrn_reflns_theta_max                25.68
_diffrn_reflns_theta_full               25.68
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full    1.000
_diffrn_reflns_limit_h_min              -14
_diffrn_reflns_limit_h_max              15
_diffrn_reflns_limit_k_min              -16
_diffrn_reflns_limit_k_max              17
_diffrn_reflns_limit_l_min              -20
_diffrn_reflns_limit_l_max              19

_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.
;

_reflns_number_total                    5633
_reflns_number_gt                       4890
_reflns_threshold_expression            >2sigma(I)

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0397
_refine_ls_R_factor_gt                  0.0342
_refine_ls_wR_factor_gt                 0.0913
_refine_ls_wR_factor_ref                0.0981
_refine_ls_goodness_of_fit_ref          1.038
_refine_ls_restrained_S_all             1.038
_refine_ls_number_reflns                5633
_refine_ls_number_parameters            320
_refine_ls_number_restraints            0
_refine_ls_hydrogen_treatment           mixed
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
    'calc w=1/[σ²(Fo²)+(0.0510P)²+1.6995P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          geom
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap

_refine_ls_shift/su_max                 0.002
_refine_ls_shift/su_mean                0.000
_refine_diff_density_max                0.511
_refine_diff_density_min                -0.777
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              ?

loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    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'

_computing_data_collection              ?
_computing_cell_refinement              'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_reduction               'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution           'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics           ?
_computing_publication_material         ?

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Pd Pd1 0.288466(16) 0.160255(13) 0.153637(12) 0.05309(9) Uani d . 1 . .
    Cl Cl1 0.29486(9) 0.16811(5) 0.29831(5) 0.0784(2) Uani d . 1 . .
    N N1 0.21094(16) 0.35889(14) 0.12501(12) 0.0485(4) Uani d . 1 . .
    N N2 0.37083(16) 0.35405(14) 0.17478(12) 0.0473(4) Uani d . 1 . .
    C C1 0.28989(17) 0.29954(17) 0.14708(13) 0.0439(5) Uani d . 1 . .
    C C2 0.1107(2) 0.33265(17) 0.08653(16) 0.0518(6) Uani d . 1 . .
    C C3 0.0268(2) 0.3003(2) 0.13420(18) 0.0668(7) Uani d . 1 . .
    C C4 0.0348(3) 0.2923(3) 0.2260(2) 0.0849(10) Uani d . 1 . .
    H H8 0.1107 0.2998 0.2411 0.102 Uiso calc R 1 . .
    C C5 -0.0005(4) 0.1969(4) 0.2558(3) 0.139(2) Uani d . 1 . .
    H H10 0.0078 0.1936 0.3137 0.208 Uiso calc R 1 . .
    H H9 0.0431 0.1504 0.2308 0.208 Uiso calc R 1 . .
    H H11 -0.0746 0.187 0.2414 0.208 Uiso calc R 1 . .
    C C6 -0.0268(5) 0.3708(5) 0.2651(3) 0.153(2) Uani d . 1 . .
    H H14 0.0034 0.4286 0.2484 0.229 Uiso calc R 1 . .
    H H12 -0.0218 0.3655 0.3232 0.229 Uiso calc R 1 . .
    H H13 -0.101 0.3679 0.2485 0.229 Uiso calc R 1 . .
    C C7 -0.0686(3) 0.2768(3) 0.0942(2) 0.0915(11) Uani d . 1 . .
    H H15 -0.1266 0.2551 0.124 0.11 Uiso calc R 1 . .
    C C8 -0.0783(3) 0.2854(3) 0.0115(2) 0.0962(12) Uani d . 1 . .
    H H16 -0.1426 0.2689 -0.0139 0.115 Uiso calc R 1 . .
    C C9 0.0046(3) 0.3175(3) -0.0340(2) 0.0810(9) Uani d . 1 . .
    H H17 -0.0041 0.3234 -0.0899 0.097 Uiso calc R 1 . .
    C C10 0.1020(2) 0.3415(2) 0.00204(17) 0.0627(7) Uani d . 1 . .
    C C11 0.1910(3) 0.3782(3) -0.04983(19) 0.0883(10) Uani d . 1 . .
    H H1 0.2575 0.3761 -0.0174 0.106 Uiso calc R 1 . .
    C C12 0.2096(4) 0.3201(4) -0.1271(3) 0.1272(18) Uani d . 1 . .
    H H2 0.2212 0.2569 -0.1121 0.191 Uiso calc R 1 . .
    H H3 0.2715 0.343 -0.1551 0.191 Uiso calc R 1 . .
    H H4 0.1475 0.3244 -0.162 0.191 Uiso calc R 1 . .
    C C13 0.1698(6) 0.4787(4) -0.0715(4) 0.159(2) Uani d . 1 . .
    H H6 0.1109 0.4822 -0.1095 0.238 Uiso calc R 1 . .
    H H5 0.233 0.5048 -0.0955 0.238 Uiso calc R 1 . .
    H H7 0.152 0.5124 -0.0232 0.238 Uiso calc R 1 . .
    C C14 0.2412(2) 0.44901(19) 0.13962(17) 0.0609(6) Uani d . 1 . .
    H H18 0.2002 0.5016 0.13 0.073 Uiso calc R 1 . .
    C C15 0.3420(2) 0.44581(18) 0.17064(17) 0.0594(6) Uani d . 1 . .
    H H19 0.384 0.4959 0.1863 0.071 Uiso calc R 1 . .
    C C16 0.2802(4) 0.0106(3) 0.1338(3) 0.1061(14) Uani d . 1 . .
    H H20 0.3345 -0.0267 0.1609 0.127 Uiso calc R 1 . .
    H H21 0.2092 -0.0171 0.1332 0.127 Uiso calc R 1 . .
    C C17 0.4764(2) 0.31508(19) 0.19817(15) 0.0532(6) Uani d . 1 . .
    H H25 0.4616 0.2576 0.2274 0.064 Uiso calc R 1 . .
    C C18 0.5335(2) 0.3785(2) 0.25827(15) 0.0567(6) Uani d . 1 . .
    C C19 0.6268(3) 0.4246(3) 0.2418(2) 0.0842(10) Uani d . 1 . .
    H H31 0.6591 0.4179 0.1913 0.101 Uiso calc R 1 . .
    C C20 0.6738(3) 0.4815(3) 0.3005(3) 0.1023(13) Uani d . 1 . .
    H H32 0.7368 0.5133 0.2888 0.123 Uiso calc R 1 . .
    C C21 0.6277(4) 0.4906(3) 0.3749(2) 0.0953(12) Uani d . 1 . .
    H H33 0.658 0.53 0.4134 0.114 Uiso calc R 1 . .
    C C22 0.5366(3) 0.4417(3) 0.3927(2) 0.0920(11) Uani d . 1 . .
    H H34 0.5066 0.446 0.4442 0.11 Uiso calc R 1 . .
    C C23 0.4895(3) 0.3865(3) 0.33518(18) 0.0728(8) Uani d . 1 . .
    H H35 0.4273 0.3539 0.3477 0.087 Uiso calc R 1 . .
    C C24 0.5383(2) 0.2883(2) 0.12242(18) 0.0659(7) Uani d . 1 . .
    C C25 0.5482(3) 0.3470(3) 0.0565(2) 0.0919(12) Uani d . 1 . .
    H H26 0.5189 0.4059 0.0587 0.11 Uiso calc R 1 . .
    C C26 0.6016(4) 0.3184(5) -0.0126(3) 0.1203(18) Uani d . 1 . .
    H H27 0.6112 0.3595 -0.0553 0.144 Uiso calc R 1 . .
    C C27 0.6402(4) 0.2310(7) -0.0186(4) 0.143(3) Uani d . 1 . .
    H H28 0.6724 0.2114 -0.0665 0.172 Uiso calc R 1 . .
    C C28 0.6318(4) 0.1728(5) 0.0447(4) 0.128(2) Uani d . 1 . .
    H H29 0.6599 0.1135 0.0409 0.153 Uiso calc R 1 . .
    C C29 0.5807(3) 0.2007(3) 0.1171(3) 0.0954(12) Uani d . 1 . .
    H H30 0.5756 0.1603 0.1607 0.115 Uiso calc R 1 . .
    C C30 0.3077(8) 0.0510(3) 0.0721(3) 0.207(4) Uani d . 1 . .
    H H22 0.3608 0.0173 0.0458 0.249 Uiso calc R 1 . .
    C C31 0.2860(4) 0.1289(3) 0.0299(2) 0.0951(11) Uani d . 1 . .
    H H23 0.2165 0.1317 0.0028 0.114 Uiso calc R 1 . .
    H H24 0.3442 0.1539 -0.0023 0.114 Uiso calc R 1 . .


_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Pd1 C1 . 2.022(2) ?
    Pd1 C30 . 2.090(4) ?
    Pd1 C31 . 2.086(3) ?
    Pd1 C16 . 2.197(4) ?
    Pd1 Cl1 . 2.3840(8) ?
    N1 C1 . 1.353(3) ?
    N1 C14 . 1.380(3) ?
    N1 C2 . 1.444(3) ?
    N2 C1 . 1.355(3) ?
    N2 C15 . 1.379(3) ?
    N2 C17 . 1.477(3) ?
    C2 C3 . 1.391(4) ?
    C2 C10 . 1.400(4) ?
    C3 C7 . 1.394(4) ?
    C3 C4 . 1.518(4) ?
    C4 C6 . 1.518(7) ?
    C4 C5 . 1.531(6) ?
    C4 H8 . 0.98 ?
    C5 H10 . 0.96 ?
    C5 H9 . 0.96 ?
    C5 H11 . 0.96 ?
    C6 H14 . 0.96 ?
    C6 H12 . 0.96 ?
    C6 H13 . 0.96 ?
    C7 C8 . 1.370(5) ?
    C7 H15 . 0.93 ?
    C8 C9 . 1.361(5) ?
    C8 H16 . 0.93 ?
    C9 C10 . 1.388(4) ?
    C9 H17 . 0.93 ?
    C10 C11 . 1.501(5) ?
    C11 C13 . 1.523(7) ?
    C11 C12 . 1.543(6) ?
    C11 H1 . 0.98 ?
    C12 H2 . 0.96 ?
    C12 H3 . 0.96 ?
    C12 H4 . 0.96 ?
    C13 H6 . 0.96 ?
    C13 H5 . 0.96 ?
    C13 H7 . 0.96 ?
    C14 C15 . 1.350(4) ?
    C14 H18 . 0.93 ?
    C15 H19 . 0.93 ?
    C16 C30 . 1.223(7) ?
    C16 H20 . 0.97 ?
    C16 H21 . 0.97 ?
    C17 C24 . 1.520(4) ?
    C17 C18 . 1.522(4) ?
    C17 H25 . 0.98 ?
    C18 C19 . 1.367(4) ?
    C18 C23 . 1.388(4) ?
    C19 C20 . 1.395(5) ?
    C19 H31 . 0.93 ?
    C20 C21 . 1.363(6) ?
    C20 H32 . 0.93 ?
    C21 C22 . 1.371(6) ?
    C21 H33 . 0.93 ?
    C22 C23 . 1.368(4) ?
    C22 H34 . 0.93 ?
    C23 H35 . 0.93 ?
    C24 C29 . 1.378(5) ?
    C24 C25 . 1.384(5) ?
    C25 C26 . 1.385(6) ?
    C25 H26 . 0.93 ?
    C26 C27 . 1.359(9) ?
    C26 H27 . 0.93 ?
    C27 C28 . 1.346(9) ?
    C27 H28 . 0.93 ?
    C28 C29 . 1.413(7) ?
    C28 H29 . 0.93 ?
    C29 H30 . 0.93 ?
    C30 C31 . 1.352(6) ?
    C30 H22 . 0.93 ?
    C31 H23 . 0.97 ?
    C31 H24 . 0.97 ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C1 Pd1 C30 . . 136.15(17) ?
    C1 Pd1 C31 . . 99.54(14) ?
    C30 Pd1 C31 . . 37.77(18) ?
    C1 Pd1 C16 . . 168.20(14) ?
    C30 Pd1 C16 . . 33.02(18) ?
    C31 Pd1 C16 . . 68.84(17) ?
    C1 Pd1 Cl1 . . 90.31(6) ?
    C30 Pd1 Cl1 . . 132.36(16) ?
    C31 Pd1 Cl1 . . 170.09(12) ?
    C16 Pd1 Cl1 . . 101.36(13) ?
    C1 N1 C14 . . 111.1(2) ?
    C1 N1 C2 . . 124.9(2) ?
    C14 N1 C2 . . 124.0(2) ?
    C1 N2 C15 . . 110.7(2) ?
    C1 N2 C17 . . 121.3(2) ?
    C15 N2 C17 . . 127.7(2) ?
    N2 C1 N1 . . 104.7(2) ?
    N2 C1 Pd1 . . 124.83(17) ?
    N1 C1 Pd1 . . 130.00(17) ?
    C3 C2 C10 . . 122.6(2) ?
    C3 C2 N1 . . 119.3(2) ?
    C10 C2 N1 . . 118.1(2) ?
    C2 C3 C7 . . 117.0(3) ?
    C2 C3 C4 . . 123.0(3) ?
    C7 C3 C4 . . 120.0(3) ?
    C3 C4 C6 . . 109.6(4) ?
    C3 C4 C5 . . 111.7(4) ?
    C6 C4 C5 . . 113.2(4) ?
    C3 C4 H8 . . 107.3 ?
    C6 C4 H8 . . 107.3 ?
    C5 C4 H8 . . 107.3 ?
    C4 C5 H10 . . 109.5 ?
    C4 C5 H9 . . 109.5 ?
    H10 C5 H9 . . 109.5 ?
    C4 C5 H11 . . 109.5 ?
    H10 C5 H11 . . 109.5 ?
    H9 C5 H11 . . 109.5 ?
    C4 C6 H14 . . 109.5 ?
    C4 C6 H12 . . 109.5 ?
    H14 C6 H12 . . 109.5 ?
    C4 C6 H13 . . 109.5 ?
    H14 C6 H13 . . 109.5 ?
    H12 C6 H13 . . 109.5 ?
    C8 C7 C3 . . 121.0(3) ?
    C8 C7 H15 . . 119.5 ?
    C3 C7 H15 . . 119.5 ?
    C9 C8 C7 . . 121.1(3) ?
    C9 C8 H16 . . 119.5 ?
    C7 C8 H16 . . 119.5 ?
    C8 C9 C10 . . 120.8(3) ?
    C8 C9 H17 . . 119.6 ?
    C10 C9 H17 . . 119.6 ?
    C2 C10 C9 . . 117.5(3) ?
    C2 C10 C11 . . 123.1(3) ?
    C9 C10 C11 . . 119.4(3) ?
    C10 C11 C13 . . 110.2(4) ?
    C10 C11 C12 . . 113.0(3) ?
    C13 C11 C12 . . 110.8(4) ?
    C10 C11 H1 . . 107.5 ?
    C13 C11 H1 . . 107.5 ?
    C12 C11 H1 . . 107.5 ?
    C11 C12 H2 . . 109.5 ?
    C11 C12 H3 . . 109.5 ?
    H2 C12 H3 . . 109.5 ?
    C11 C12 H4 . . 109.5 ?
    H2 C12 H4 . . 109.5 ?
    H3 C12 H4 . . 109.5 ?
    C11 C13 H6 . . 109.5 ?
    C11 C13 H5 . . 109.5 ?
    H6 C13 H5 . . 109.5 ?
    C11 C13 H7 . . 109.5 ?
    H6 C13 H7 . . 109.5 ?
    H5 C13 H7 . . 109.5 ?
    C15 C14 N1 . . 106.5(2) ?
    C15 C14 H18 . . 126.7 ?
    N1 C14 H18 . . 126.7 ?
    C14 C15 N2 . . 107.0(2) ?
    C14 C15 H19 . . 126.5 ?
    N2 C15 H19 . . 126.5 ?
    C30 C16 Pd1 . . 68.7(3) ?
    C30 C16 H20 . . 116.8 ?
    Pd1 C16 H20 . . 116.8 ?
    C30 C16 H21 . . 116.8 ?
    Pd1 C16 H21 . . 116.8 ?
    H20 C16 H21 . . 113.8 ?
    N2 C17 C24 . . 109.8(2) ?
    N2 C17 C18 . . 110.3(2) ?
    C24 C17 C18 . . 116.8(2) ?
    N2 C17 H25 . . 106.5 ?
    C24 C17 H25 . . 106.5 ?
    C18 C17 H25 . . 106.5 ?
    C19 C18 C23 . . 118.8(3) ?
    C19 C18 C17 . . 123.9(3) ?
    C23 C18 C17 . . 117.2(2) ?
    C18 C19 C20 . . 120.2(3) ?
    C18 C19 H31 . . 119.9 ?
    C20 C19 H31 . . 119.9 ?
    C21 C20 C19 . . 120.2(4) ?
    C21 C20 H32 . . 119.9 ?
    C19 C20 H32 . . 119.9 ?
    C20 C21 C22 . . 119.8(3) ?
    C20 C21 H33 . . 120.1 ?
    C22 C21 H33 . . 120.1 ?
    C23 C22 C21 . . 120.3(3) ?
    C23 C22 H34 . . 119.9 ?
    C21 C22 H34 . . 119.9 ?
    C22 C23 C18 . . 120.7(3) ?
    C22 C23 H35 . . 119.7 ?
    C18 C23 H35 . . 119.7 ?
    C29 C24 C25 . . 118.7(3) ?
    C29 C24 C17 . . 118.9(3) ?
    C25 C24 C17 . . 122.3(3) ?
    C26 C25 C24 . . 120.4(5) ?
    C26 C25 H26 . . 119.8 ?
    C24 C25 H26 . . 119.8 ?
    C27 C26 C25 . . 120.7(5) ?
    C27 C26 H27 . . 119.6 ?
    C25 C26 H27 . . 119.6 ?
    C28 C27 C26 . . 119.9(5) ?
    C28 C27 H28 . . 120.1 ?
    C26 C27 H28 . . 120.1 ?
    C27 C28 C29 . . 120.7(5) ?
    C27 C28 H29 . . 119.6 ?
    C29 C28 H29 . . 119.6 ?
    C24 C29 C28 . . 119.5(5) ?
    C24 C29 H30 . . 120.2 ?
    C28 C29 H30 . . 120.2 ?
    C16 C30 C31 . . 140.4(7) ?
    C16 C30 Pd1 . . 78.3(3) ?
    C31 C30 Pd1 . . 71.0(2) ?
    C16 C30 H22 . . 109.8 ?
    C31 C30 H22 . . 109.8 ?
    Pd1 C30 H22 . . 141.4 ?
    C30 C31 Pd1 . . 71.3(2) ?
    C30 C31 H23 . . 116.5 ?
    Pd1 C31 H23 . . 116.5 ?
    C30 C31 H24 . . 116.5 ?
    Pd1 C31 H24 . . 116.5 ?
    H23 C31 H24 . . 113.5 ?

