##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(Tricyclohexylphosphine)bis(tropolonato)palladium(II)
;
_chemical_formula_moiety     'C32 H43 O4 P Pd'
_chemical_formula_sum     'C32 H43 O4 P Pd'
_chemical_formula_iupac     '[Pd (C7 H5 O2)2 (C18 H33 P)]'
_chemical_formula_weight     629.05
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     17.6699(4)
_cell_length_b     27.7962(6)
_cell_length_c     12.2289(2)
_cell_angle_alpha     90.00
_cell_angle_beta     94.5230(10)
_cell_angle_gamma     90.00
_cell_volume     5987.6(2)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     7765
_cell_measurement_theta_min     2.48
_cell_measurement_theta_max     28.17
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.368
_exptl_crystal_size_mid     0.307
_exptl_crystal_size_min     0.097
_exptl_crystal_density_diffrn     1.396
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2624
_exptl_absorpt_coefficient_mu     0.707
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1998)'
_exptl_absorpt_correction_T_min     0.776
_exptl_absorpt_correction_T_max     0.936
_exptl_special_details
;
;
_diffrn_ambient_temperature     273(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     512
_diffrn_reflns_number     81120
_diffrn_reflns_av_R_equivalents     0.0295
_diffrn_reflns_av_sigmaI/netI     0.0131
_diffrn_reflns_theta_min     1.37
_diffrn_reflns_theta_max     28.31
_diffrn_reflns_theta_full     28.31
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -23
_diffrn_reflns_limit_h_max     23
_diffrn_reflns_limit_k_min     -37
_diffrn_reflns_limit_k_max     37
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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     7406
_reflns_number_gt     6361
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0319
_refine_ls_R_factor_gt     0.0240
_refine_ls_wR_factor_gt     0.0651
_refine_ls_wR_factor_ref     0.0780
_refine_ls_goodness_of_fit_ref     1.121
_refine_ls_restrained_S_all     1.121
_refine_ls_number_reflns     7406
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
          'calc w=1/[σ²(Fo²)+(0.039P)²+3.4366P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.400
_refine_diff_density_min     -0.289
_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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Pd' 'Pd' -0.9988 1.0072
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2004)'
_computing_data_reduction     'SAINT-Plus'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'DIAMOND (Brandenburg & Putz, 2004)'
_computing_publication_material     'SHELXL97'
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 Pd 0.225287(8) 0.076091(5) 0.012278(10) 0.03988(5) Uani d . 1 . .
    P P 0.28918(3) 0.113052(15) -0.11405(4) 0.03759(10) Uani d . 1 . .
    O O22 0.27297(8) 0.11889(5) 0.13139(12) 0.0554(3) Uani d . 1 . .
    O O11 0.16169(8) 0.03653(5) 0.11540(10) 0.0507(3) Uani d . 1 . .
    O O12 0.18487(8) 0.02561(5) -0.09205(11) 0.0514(3) Uani d . 1 . .
    C C23 0.27523(15) 0.14315(9) 0.30952(18) 0.0623(5) Uani d . 1 . .
    H H23 0.3207 0.1262 0.3163 0.075 Uiso calc R 1 . .
    C C31 0.30867(11) 0.07000(6) -0.22300(15) 0.0425(4) Uani d . 1 . .
    H H31 0.2601 0.0541 -0.2433 0.051 Uiso calc R 1 . .
    C C41 0.23223(10) 0.16110(6) -0.18396(15) 0.0420(4) Uani d . 1 . .
    H H41 0.2575 0.1703 -0.2493 0.050 Uiso calc R 1 . .
    C C51 0.37512(10) 0.14374(7) -0.05460(16) 0.0434(4) Uani d . 1 . .
    H H51 0.3559 0.1685 -0.0068 0.052 Uiso calc R 1 . .
    C C46 0.22538(12) 0.20635(7) -0.11430(18) 0.0504(4) Uani d . 1 . .
    H H46A 0.2023 0.1981 -0.0474 0.061 Uiso calc R 1 . .
    H H46B 0.2756 0.2192 -0.0942 0.061 Uiso calc R 1 . .
    C C42 0.15294(12) 0.14200(8) -0.22281(19) 0.0543(5) Uani d . 1 . .
    H H42A 0.1581 0.1144 -0.2703 0.065 Uiso calc R 1 . .
    H H42B 0.1271 0.1315 -0.1599 0.065 Uiso calc R 1 . .
    C C45 0.17756(13) 0.24417(7) -0.1770(2) 0.0629(6) Uani d . 1 . .
    H H45A 0.1721 0.2719 -0.1301 0.076 Uiso calc R 1 . .
    H H45B 0.2034 0.2546 -0.2400 0.076 Uiso calc R 1 . .
    C C32 0.36204(14) 0.03011(8) -0.18048(17) 0.0563(5) Uani d . 1 . .
    H H32A 0.3420 0.0151 -0.1173 0.068 Uiso calc R 1 . .
    H H32B 0.4111 0.0438 -0.1571 0.068 Uiso calc R 1 . .
    C C52 0.41996(13) 0.17197(9) -0.13527(19) 0.0620(6) Uani d . 1 . .
    H H52A 0.4464 0.1498 -0.1803 0.074 Uiso calc R 1 . .
    H H52B 0.3855 0.1911 -0.1832 0.074 Uiso calc R 1 . .
    C C43 0.10569(14) 0.18056(9) -0.2846(2) 0.0668(6) Uani d . 1 . .
    H H43A 0.1288 0.1887 -0.3516 0.080 Uiso calc R 1 . .
    H H43B 0.0552 0.1681 -0.3047 0.080 Uiso calc R 1 . .
    C C36 0.33357(17) 0.09144(8) -0.32936(18) 0.0635(6) Uani d . 1 . .
    H H36A 0.2959 0.1145 -0.3581 0.076 Uiso calc R 1 . .
    H H36B 0.3812 0.1084 -0.3142 0.076 Uiso calc R 1 . .
    C C35 0.34336(16) 0.05264(8) -0.41495(18) 0.0652(6) Uani d . 1 . .
    H H35A 0.2945 0.0380 -0.4361 0.078 Uiso calc R 1 . .
    H H35B 0.3621 0.0671 -0.4798 0.078 Uiso calc R 1 . .
    C C56 0.42883(12) 0.11367(8) 0.02197(19) 0.0565(5) Uani d . 1 . .
    H H56A 0.4000 0.0963 0.0734 0.068 Uiso calc R 1 . .
    H H56B 0.4551 0.0904 -0.0204 0.068 Uiso calc R 1 . .
    C C55 0.48633(14) 0.14642(10) 0.0843(2) 0.0720(7) Uani d . 1 . .
    H H55A 0.4601 0.1673 0.1323 0.086 Uiso calc R 1 . .
    H H55B 0.5219 0.1269 0.1297 0.086 Uiso calc R 1 . .
    C C34 0.39785(17) 0.01457(10) -0.3714(2) 0.0760(7) Uani d . 1 . .
    H H34A 0.4477 0.0287 -0.3558 0.091 Uiso calc R 1 . .
    H H34B 0.4018 -0.0102 -0.4266 0.091 Uiso calc R 1 . .
    C C44 0.09989(14) 0.22538(9) -0.2154(2) 0.0695(6) Uani d . 1 . .
    H H44A 0.0721 0.2500 -0.2582 0.083 Uiso calc R 1 . .
    H H44B 0.0719 0.2180 -0.1523 0.083 Uiso calc R 1 . .
    C C53 0.47706(16) 0.20473(11) -0.0719(3) 0.0829(8) Uani d . 1 . .
    H H53A 0.5067 0.2217 -0.1232 0.099 Uiso calc R 1 . .
    H H53B 0.4500 0.2285 -0.0320 0.099 Uiso calc R 1 . .
    C C33 0.37191(18) -0.00788(9) -0.2680(2) 0.0745(7) Uani d . 1 . .
    H H33A 0.4090 -0.0315 -0.2400 0.089 Uiso calc R 1 . .
    H H33B 0.3241 -0.0244 -0.2849 0.089 Uiso calc R 1 . .
    C C54 0.52977(14) 0.17687(11) 0.0076(3) 0.0844(9) Uani d . 1 . .
    H H54A 0.5623 0.1992 0.0504 0.101 Uiso calc R 1 . .
    H H54B 0.5618 0.1562 -0.0329 0.101 Uiso calc R 1 . .
    C C11 0.12560(10) 0.00205(6) 0.06473(15) 0.0422(4) Uani d . 1 . .
    C C12 0.14154(10) -0.00585(6) -0.04932(15) 0.0417(4) Uani d . 1 . .
    C C14 0.06326(16) -0.07991(7) -0.0982(2) 0.0637(6) Uani d . 1 . .
    H H14 0.0542 -0.1015 -0.1558 0.076 Uiso calc R 1 . .
    C C17 0.07349(12) -0.02474(8) 0.12077(17) 0.0543(5) Uani d . 1 . .
    H H17 0.0693 -0.0150 0.1928 0.065 Uiso calc R 1 . .
    C C13 0.11644(13) -0.04435(7) -0.11538(17) 0.0530(5) Uani d . 1 . .
    H H13 0.1388 -0.0467 -0.1815 0.064 Uiso calc R 1 . .
    C C15 0.02210(14) -0.08803(8) -0.0094(2) 0.0658(6) Uani d . 1 . .
    H H15 -0.0130 -0.1130 -0.0156 0.079 Uiso calc R 1 . .
    C C16 0.02750(13) -0.06282(8) 0.0880(2) 0.0604(5) Uani d . 1 . .
    H H16 -0.0050 -0.0732 0.1395 0.073 Uiso calc R 1 . .
    O O21 0.13291(10) 0.15127(7) 0.07903(16) 0.0750(5) Uani d . 1 . .
    C C21 0.16076(12) 0.15915(7) 0.17335(19) 0.0538(5) Uani d . 1 . .
    C C22 0.23671(11) 0.13988(7) 0.20575(16) 0.0456(4) Uani d . 1 . .
    C C27 0.12030(18) 0.18813(11) 0.2465(3) 0.0901(9) Uani d . 1 . .
    H H27 0.0736 0.1990 0.2157 0.108 Uiso calc R 1 . .
    C C24 0.25869(19) 0.16686(12) 0.4045(2) 0.0840(8) Uani d . 1 . .
    H H24 0.2946 0.1631 0.4637 0.101 Uiso calc R 1 . .
    C C25 0.1991(2) 0.19419(14) 0.4240(3) 0.1032(11) Uani d . 1 . .
    H H25 0.2000 0.2087 0.4926 0.124 Uiso calc R 1 . .
    C C26 0.1369(2) 0.20300(13) 0.3530(3) 0.1124(13) Uani d . 1 . .
    H H26 0.0998 0.2221 0.3812 0.135 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
    Pd O12 . 1.9907(13) Y
    Pd O22 . 2.0132(13) Y
    Pd O11 . 2.0702(12) Y
    Pd P . 2.2342(4) Y
    P C51 . 1.8407(18) ?
    P C41 . 1.8417(19) ?
    P C31 . 1.8434(18) ?
    O22 C22 . 1.292(2) ?
    O11 C11 . 1.283(2) ?
    O12 C12 . 1.299(2) ?
    C23 C24 . 1.387(3) ?
    C23 C22 . 1.395(3) ?
    C23 H23 . 0.9300 ?
    C31 C32 . 1.520(3) ?
    C31 C36 . 1.527(3) ?
    C31 H31 . 0.9800 ?
    C41 C46 . 1.529(3) ?
    C41 C42 . 1.538(3) ?
    C41 H41 . 0.9800 ?
    C51 C56 . 1.528(3) ?
    C51 C52 . 1.530(3) ?
    C51 H51 . 0.9800 ?
    C46 C45 . 1.518(3) ?
    C46 H46A . 0.9700 ?
    C46 H46B . 0.9700 ?
    C42 C43 . 1.523(3) ?
    C42 H42A . 0.9700 ?
    C42 H42B . 0.9700 ?
    C45 C44 . 1.508(3) ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C32 C33 . 1.523(3) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C52 C53 . 1.525(3) ?
    C52 H52A . 0.9700 ?
    C52 H52B . 0.9700 ?
    C43 C44 . 1.514(3) ?
    C43 H43A . 0.9700 ?
    C43 H43B . 0.9700 ?
    C36 C35 . 1.522(3) ?
    C36 H36A . 0.9700 ?
    C36 H36B . 0.9700 ?
    C35 C34 . 1.500(4) ?
    C35 H35A . 0.9700 ?
    C35 H35B . 0.9700 ?
    C56 C55 . 1.523(3) ?
    C56 H56A . 0.9700 ?
    C56 H56B . 0.9700 ?
    C55 C54 . 1.517(4) ?
    C55 H55A . 0.9700 ?
    C55 H55B . 0.9700 ?
    C34 C33 . 1.514(4) ?
    C34 H34A . 0.9700 ?
    C34 H34B . 0.9700 ?
    C44 H44A . 0.9700 ?
    C44 H44B . 0.9700 ?
    C53 C54 . 1.507(4) ?
    C53 H53A . 0.9700 ?
    C53 H53B . 0.9700 ?
    C33 H33A . 0.9700 ?
    C33 H33B . 0.9700 ?
    C54 H54A . 0.9700 ?
    C54 H54B . 0.9700 ?
    C11 C17 . 1.404(3) ?
    C11 C12 . 1.461(2) ?
    C12 C13 . 1.392(3) ?
    C14 C15 . 1.372(4) ?
    C14 C13 . 1.391(3) ?
    C14 H14 . 0.9300 ?
    C17 C16 . 1.375(3) ?
    C17 H17 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C15 C16 . 1.379(4) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    O21 C21 . 1.237(3) ?
    C21 C27 . 1.435(3) ?
    C21 C22 . 1.470(3) ?
    C27 C26 . 1.376(5) ?
    C27 H27 . 0.9300 ?
    C24 C25 . 1.335(5) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.369(5) ?
    C25 H25 . 0.9300 ?
    C26 H26 . 0.9300 ?
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
    O12 Pd O22 . . 171.38(6) ?
    O12 Pd O11 . . 80.30(5) Y
    O22 Pd O11 . . 95.13(5) Y
    O12 Pd P . . 93.23(4) Y
    O22 Pd P . . 91.32(4) Y
    O11 Pd P . . 173.52(4) ?
    C51 P C41 . . 104.52(8) ?
    C51 P C31 . . 113.01(9) ?
    C41 P C31 . . 105.17(8) ?
    C51 P Pd . . 112.72(6) ?
    C41 P Pd . . 111.53(6) ?
    C31 P Pd . . 109.55(6) ?
    C22 O22 Pd . . 125.00(12) ?
    C11 O11 Pd . . 112.06(11) ?
    C12 O12 Pd . . 114.19(11) ?
    C24 C23 C22 . . 132.3(3) ?
    C24 C23 H23 . . 113.8 ?
    C22 C23 H23 . . 113.8 ?
    C32 C31 C36 . . 111.31(18) ?
    C32 C31 P . . 111.86(13) ?
    C36 C31 P . . 116.44(13) ?
    C32 C31 H31 . . 105.4 ?
    C36 C31 H31 . . 105.4 ?
    P C31 H31 . . 105.4 ?
    C46 C41 C42 . . 110.23(16) ?
    C46 C41 P . . 113.72(13) ?
    C42 C41 P . . 110.13(13) ?
    C46 C41 H41 . . 107.5 ?
    C42 C41 H41 . . 107.5 ?
    P C41 H41 . . 107.5 ?
    C56 C51 C52 . . 110.33(17) ?
    C56 C51 P . . 116.20(13) ?
    C52 C51 P . . 115.86(14) ?
    C56 C51 H51 . . 104.3 ?
    C52 C51 H51 . . 104.3 ?
    P C51 H51 . . 104.3 ?
    C45 C46 C41 . . 110.70(18) ?
    C45 C46 H46A . . 109.5 ?
    C41 C46 H46A . . 109.5 ?
    C45 C46 H46B . . 109.5 ?
    C41 C46 H46B . . 109.5 ?
    H46A C46 H46B . . 108.1 ?
    C43 C42 C41 . . 111.16(18) ?
    C43 C42 H42A . . 109.4 ?
    C41 C42 H42A . . 109.4 ?
    C43 C42 H42B . . 109.4 ?
    C41 C42 H42B . . 109.4 ?
    H42A C42 H42B . . 108.0 ?
    C44 C45 C46 . . 111.97(18) ?
    C44 C45 H45A . . 109.2 ?
    C46 C45 H45A . . 109.2 ?
    C44 C45 H45B . . 109.2 ?
    C46 C45 H45B . . 109.2 ?
    H45A C45 H45B . . 107.9 ?
    C31 C32 C33 . . 111.58(18) ?
    C31 C32 H32A . . 109.3 ?
    C33 C32 H32A . . 109.3 ?
    C31 C32 H32B . . 109.3 ?
    C33 C32 H32B . . 109.3 ?
    H32A C32 H32B . . 108.0 ?
    C53 C52 C51 . . 109.5(2) ?
    C53 C52 H52A . . 109.8 ?
    C51 C52 H52A . . 109.8 ?
    C53 C52 H52B . . 109.8 ?
    C51 C52 H52B . . 109.8 ?
    H52A C52 H52B . . 108.2 ?
    C44 C43 C42 . . 111.1(2) ?
    C44 C43 H43A . . 109.4 ?
    C42 C43 H43A . . 109.4 ?
    C44 C43 H43B . . 109.4 ?
    C42 C43 H43B . . 109.4 ?
    H43A C43 H43B . . 108.0 ?
    C35 C36 C31 . . 111.43(18) ?
    C35 C36 H36A . . 109.3 ?
    C31 C36 H36A . . 109.3 ?
    C35 C36 H36B . . 109.3 ?
    C31 C36 H36B . . 109.3 ?
    H36A C36 H36B . . 108.0 ?
    C34 C35 C36 . . 111.1(2) ?
    C34 C35 H35A . . 109.4 ?
    C36 C35 H35A . . 109.4 ?
    C34 C35 H35B . . 109.4 ?
    C36 C35 H35B . . 109.4 ?
    H35A C35 H35B . . 108.0 ?
    C55 C56 C51 . . 109.71(18) ?
    C55 C56 H56A . . 109.7 ?
    C51 C56 H56A . . 109.7 ?
    C55 C56 H56B . . 109.7 ?
    C51 C56 H56B . . 109.7 ?
    H56A C56 H56B . . 108.2 ?
    C54 C55 C56 . . 112.0(2) ?
    C54 C55 H55A . . 109.2 ?
    C56 C55 H55A . . 109.2 ?
    C54 C55 H55B . . 109.2 ?
    C56 C55 H55B . . 109.2 ?
    H55A C55 H55B . . 107.9 ?
    C35 C34 C33 . . 111.1(2) ?
    C35 C34 H34A . . 109.4 ?
    C33 C34 H34A . . 109.4 ?
    C35 C34 H34B . . 109.4 ?
    C33 C34 H34B . . 109.4 ?
    H34A C34 H34B . . 108.0 ?
    C45 C44 C43 . . 111.0(2) ?
    C45 C44 H44A . . 109.4 ?
    C43 C44 H44A . . 109.4 ?
    C45 C44 H44B . . 109.4 ?
    C43 C44 H44B . . 109.4 ?
    H44A C44 H44B . . 108.0 ?
    C54 C53 C52 . . 111.8(2) ?
    C54 C53 H53A . . 109.3 ?
    C52 C53 H53A . . 109.3 ?
    C54 C53 H53B . . 109.3 ?
    C52 C53 H53B . . 109.3 ?
    H53A C53 H53B . . 107.9 ?
    C34 C33 C32 . . 111.1(2) ?
    C34 C33 H33A . . 109.4 ?
    C32 C33 H33A . . 109.4 ?
    C34 C33 H33B . . 109.4 ?
    C32 C33 H33B . . 109.4 ?
    H33A C33 H33B . . 108.0 ?
    C53 C54 C55 . . 111.6(2) ?
    C53 C54 H54A . . 109.3 ?
    C55 C54 H54A . . 109.3 ?
    C53 C54 H54B . . 109.3 ?
    C55 C54 H54B . . 109.3 ?
    H54A C54 H54B . . 108.0 ?
    O11 C11 C17 . . 118.72(17) ?
    O11 C11 C12 . . 116.57(15) ?
    C17 C11 C12 . . 124.70(17) ?
    O12 C12 C13 . . 117.06(17) ?
    O12 C12 C11 . . 116.55(15) ?
    C13 C12 C11 . . 126.36(17) ?
    C15 C14 C13 . . 130.0(2) ?
    C15 C14 H14 . . 115.0 ?
    C13 C14 H14 . . 115.0 ?
    C16 C17 C11 . . 131.4(2) ?
    C16 C17 H17 . . 114.3 ?
    C11 C17 H17 . . 114.3 ?
    C14 C13 C12 . . 130.3(2) ?
    C14 C13 H13 . . 114.9 ?
    C12 C13 H13 . . 114.9 ?
    C14 C15 C16 . . 126.5(2) ?
    C14 C15 H15 . . 116.7 ?
    C16 C15 H15 . . 116.7 ?
    C17 C16 C15 . . 130.0(2) ?
    C17 C16 H16 . . 115.0 ?
    C15 C16 H16 . . 115.0 ?
    O21 C21 C27 . . 119.9(2) ?
    O21 C21 C22 . . 118.3(2) ?
    C27 C21 C22 . . 121.7(2) ?
    O22 C22 C23 . . 115.87(19) ?
    O22 C22 C21 . . 117.88(18) ?
    C23 C22 C21 . . 126.23(19) ?
    C26 C27 C21 . . 132.8(3) ?
    C26 C27 H27 . . 113.6 ?
    C21 C27 H27 . . 113.6 ?
    C25 C24 C23 . . 129.9(3) ?
    C25 C24 H24 . . 115.1 ?
    C23 C24 H24 . . 115.1 ?
    C24 C25 C26 . . 126.5(3) ?
    C24 C25 H25 . . 116.8 ?
    C26 C25 H25 . . 116.8 ?
    C25 C26 C27 . . 130.3(3) ?
    C25 C26 H26 . . 114.8 ?
    C27 C26 H26 . . 114.8 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O12 Pd P C51 . . . . -150.45(8) ?
    O22 Pd P C51 . . . . 22.23(8) ?
    O12 Pd P C41 . . . . 92.33(8) ?
    O22 Pd P C41 . . . . -95.00(8) ?
    O12 Pd P C31 . . . . -23.69(8) ?
    O22 Pd P C31 . . . . 148.99(8) ?
    O11 Pd O22 C22 . . . . -46.33(17) ?
    P Pd O22 C22 . . . . 134.25(16) ?
    O12 Pd O11 C11 . . . . -3.27(13) ?
    O22 Pd O11 C11 . . . . -175.89(13) ?
    O11 Pd O12 C12 . . . . -0.32(13) ?
    P Pd O12 C12 . . . . 179.93(13) ?
    C51 P C31 C32 . . . . 61.10(16) ?
    C41 P C31 C32 . . . . 174.52(14) ?
    Pd P C31 C32 . . . . -65.49(15) ?
    C51 P C31 C36 . . . . -68.45(19) ?
    C41 P C31 C36 . . . . 44.97(19) ?
    Pd P C31 C36 . . . . 164.96(16) ?
    C51 P C41 C46 . . . . -47.13(15) ?
    C31 P C41 C46 . . . . -166.39(14) ?
    Pd P C41 C46 . . . . 74.94(14) ?
    C51 P C41 C42 . . . . -171.42(13) ?
    C31 P C41 C42 . . . . 69.33(15) ?
    Pd P C41 C42 . . . . -49.34(14) ?
    C41 P C51 C56 . . . . 172.16(15) ?
    C31 P C51 C56 . . . . -74.03(16) ?
    Pd P C51 C56 . . . . 50.86(16) ?
    C41 P C51 C52 . . . . -55.86(17) ?
    C31 P C51 C52 . . . . 57.95(18) ?
    Pd P C51 C52 . . . . -177.16(14) ?
    C42 C41 C46 C45 . . . . -55.6(2) ?
    P C41 C46 C45 . . . . -179.79(14) ?
    C46 C41 C42 C43 . . . . 55.8(2) ?
    P C41 C42 C43 . . . . -177.90(15) ?
    C41 C46 C45 C44 . . . . 56.4(3) ?
    C36 C31 C32 C33 . . . . -53.3(3) ?
    P C31 C32 C33 . . . . 174.54(18) ?
    C56 C51 C52 C53 . . . . -59.0(3) ?
    P C51 C52 C53 . . . . 166.32(18) ?
    C41 C42 C43 C44 . . . . -56.0(3) ?
    C32 C31 C36 C35 . . . . 53.5(3) ?
    P C31 C36 C35 . . . . -176.64(18) ?
    C31 C36 C35 C34 . . . . -55.7(3) ?
    C52 C51 C56 C55 . . . . 58.6(2) ?
    P C51 C56 C55 . . . . -166.90(16) ?
    C51 C56 C55 C54 . . . . -55.8(3) ?
    C36 C35 C34 C33 . . . . 57.3(3) ?
    C46 C45 C44 C43 . . . . -56.2(3) ?
    C42 C43 C44 C45 . . . . 55.7(3) ?
    C51 C52 C53 C54 . . . . 56.8(3) ?
    C35 C34 C33 C32 . . . . -56.9(3) ?
    C31 C32 C33 C34 . . . . 54.9(3) ?
    C52 C53 C54 C55 . . . . -54.3(3) ?
    C56 C55 C54 C53 . . . . 53.9(3) ?
    Pd O11 C11 C17 . . . . -173.10(15) ?
    Pd O11 C11 C12 . . . . 6.0(2) ?
    Pd O12 C12 C13 . . . . -174.89(14) ?
    Pd O12 C12 C11 . . . . 3.5(2) ?
    O11 C11 C12 O12 . . . . -6.6(3) Y
    C17 C11 C12 O12 . . . . 172.42(18) ?
    O11 C11 C12 C13 . . . . 171.62(19) ?
    C17 C11 C12 C13 . . . . -9.3(3) ?
    O11 C11 C17 C16 . . . . 179.8(2) ?
    C12 C11 C17 C16 . . . . 0.8(4) ?
    C15 C14 C13 C12 . . . . -2.3(5) ?
    O12 C12 C13 C14 . . . . -171.3(2) ?
    C11 C12 C13 C14 . . . . 10.4(4) ?
    C13 C14 C15 C16 . . . . -3.3(5) ?
    C11 C17 C16 C15 . . . . 4.1(5) ?
    C14 C15 C16 C17 . . . . -0.2(5) ?
    Pd O22 C22 C23 . . . . 143.55(16) ?
    Pd O22 C22 C21 . . . . -38.2(2) ?
    C24 C23 C22 O22 . . . . 172.3(3) ?
    C24 C23 C22 C21 . . . . -5.7(4) ?
    O21 C21 C22 O22 . . . . 5.3(3) Y
    C27 C21 C22 O22 . . . . -172.1(2) ?
    O21 C21 C22 C23 . . . . -176.7(2) ?
    C27 C21 C22 C23 . . . . 5.9(3) ?
    O21 C21 C27 C26 . . . . -179.4(4) ?
    C22 C21 C27 C26 . . . . -2.0(5) ?
    C22 C23 C24 C25 . . . . 0.0(6) ?
    C23 C24 C25 C26 . . . . 3.9(7) ?
    C24 C25 C26 C27 . . . . -2.1(8) ?
    C21 C27 C26 C25 . . . . -0.2(8) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C46 H46A O21 . 0.97 2.43 3.348(3) 159
    C13 H13 O11 6 0.93 2.56 3.456(2) 161
    C15 H15 O21 5 0.93 2.44 3.309(3) 155
data_global
_journal_date_recd_electronic     2006-02-10
_journal_date_accepted     2006-02-21
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue      3
_journal_page_first     m650
_journal_page_last     m652
_journal_paper_category     EM
_journal_coeditor_code     CV2004
_publ_contact_author
;
      Gideon Steyl
      Department of Chemistry
      University of the Free State
      Bloemfontein 9300
      South Africa
;
_publ_contact_author_email     geds12@yahoo.com
_publ_contact_author_fax     'Intl-27-51-401-6384'
_publ_contact_author_phone     'Intl-27-51-401-9526'
_publ_section_title
;
(Tricyclohexylphosphine)bis(tropolonato)palladium(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Steyl, Gideon'
;     Department of Chemistry
      University of the Free State
      Bloemfontein 9300
      South Africa
;
