# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ijsf21009
_database_code_depnum_ccdc_archive 'CCDC 2288572'
loop_
_audit_author_name
_audit_author_address
'Adrian Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2024-09-25 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2024-09-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H82 O3 P4 Pd4'
_chemical_formula_sum            'C84 H82 O3 P4 Pd4'
_chemical_formula_weight         1688.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C84 H82 O3 P4 Pd4'
_chemical_oxdiff_usercomment     'David Husbands DRH-01-131'
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'
P P 0.2955 0.4335 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6277(4)
_cell_length_b                   14.8406(4)
_cell_length_c                   20.3507(5)
_cell_angle_alpha                98.300(2)
_cell_angle_beta                 93.130(2)
_cell_angle_gamma                116.152(3)
_cell_volume                     3623.25(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14589
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      71.0130
_cell_measurement_theta_min      3.6760
_shelx_estimated_absorpt_T_max   0.712
_shelx_estimated_absorpt_T_min   0.384
_exptl_absorpt_coefficient_mu    9.099
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1708
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0084
0 0 -1 0.0318
0 1 0 0.0381
0 -1 0 0.0283
1 1 0 0.0368
-1 1 0 0.0551
-1 0 0 0.0722
1 0 0 0.0492
2 -5 2 0.0052

_exptl_crystal_recrystallization_method 
'crystallisation from dichloromethane and pentane'
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0140 0.0013 0.9958 0.0494 -0.0565 0.0178
-0.0140 -0.0013 -0.9958 -0.0494 0.0565 -0.0178
-0.0024 1.0029 -0.0192 0.0352 0.0343 0.1069
0.0024 -1.0029 0.0192 -0.0352 -0.0343 -0.1069
0.9978 1.0101 -0.0625 0.1404 0.1053 0.1129
-1.0026 0.9957 0.0240 -0.0700 -0.0367 0.1009
-1.0002 -0.0072 0.0433 -0.1052 -0.0710 -0.0060
1.0002 0.0072 -0.0433 0.1052 0.0710 0.0060
2.0405 -4.9975 2.0014 0.1331 -0.1427 -0.4870

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25088
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.080
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         3.378
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -21.00   5.00   1.00    5.50    --    0.00 -77.00  90.00   26
  2  ω    -21.00  14.00   1.00    5.50    --    0.00 -77.00-150.00   35
  3  ω    -36.00  -8.00   1.00    5.50    --    0.00 -57.00 -30.00   28
  4  ω    -69.00 -39.00   1.00    5.50    --    0.00 -57.00 -30.00   30
  5  ω    -10.00  27.00   1.00    5.50    --    0.00 -77.00  60.00   37
  6  ω    -14.00  28.00   1.00    5.50    --    0.00 -77.00   0.00   42
  7  ω     46.00 109.00   1.00   22.00    --   54.00-125.00-150.00   63
  8  ω      1.00  78.00   1.00   22.00    --   54.00 -38.00 120.00   77
  9  ω     32.00 125.00   1.00   22.00    --   54.00  38.00  60.00   93
 10  ω     28.00  80.00   1.00   22.00    --   54.00-125.00 120.00   52
 11  ω     97.00 123.00   1.00   22.00    --   54.00  57.00 -60.00   26
 12  ω     18.00  71.00   1.00   22.00    --   54.00 -57.00 -90.00   53
 13  ω    -15.00  15.00   1.00   22.00    --   54.00 -57.00 120.00   30
 14  ω     37.00 123.00   1.00   22.00    --   54.00  57.00 -90.00   86
 15  ω    116.00 144.00   1.00   22.00    --  108.00 111.00-120.00   28
 16  ω     54.00 130.00   1.00   22.00    --  108.00 -63.00  60.00   76
 17  ω    107.00 133.00   1.00   22.00    --  108.00  77.00 -90.00   26
 18  ω     37.00  67.00   1.00   22.00    --  108.00 -91.00 -60.00   30
 19  ω    105.00 148.00   1.00   22.00    --  108.00 111.00  90.00   43
 20  ω    109.00 168.00   1.00   22.00    --  108.00  63.00  60.00   59
 21  ω     47.00 108.00   1.00   22.00    --  108.00-111.00-180.00   61
 22  ω    133.00 169.00   1.00   22.00    --  108.00  77.00  30.00   36
 23  ω     37.00 108.00   1.00   22.00    --  108.00-111.00-120.00   71
 24  ω    103.00 128.00   1.00   22.00    --  108.00  77.00  30.00   25
 25  ω     88.00 161.00   1.00   22.00    --  108.00  63.00-180.00   73
 26  ω     54.00 109.00   1.00   22.00    --  108.00-111.00 -60.00   55
 27  ω     48.00 129.00   1.00   22.00    --  108.00 -50.00 -30.00   81
 28  ω    143.00 177.00   1.00   22.00    --  108.00  77.00 120.00   34
 29  ω     48.00 104.00   1.00   22.00    --  108.00 -91.00 -30.00   56
 30  ω     60.00 109.00   1.00   22.00    --  108.00-108.00  82.00   49
 31  ω    103.00 129.00   1.00   22.00    --  108.00  77.00 120.00   26
 32  ω    109.00 165.00   1.00   22.00    --  108.00 111.00   0.00   56
 33  ω     87.00 174.00   1.00   22.00    --  108.00  38.00 150.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1070219000
_diffrn_orient_matrix_UB_12      0.0363033000
_diffrn_orient_matrix_UB_13      0.0480578000
_diffrn_orient_matrix_UB_21      0.0682450000
_diffrn_orient_matrix_UB_22      0.0332767000
_diffrn_orient_matrix_UB_23      -0.0577728000
_diffrn_orient_matrix_UB_31      0.0059579000
_diffrn_orient_matrix_UB_32      0.1069495000
_diffrn_orient_matrix_UB_33      0.0176311000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11265
_reflns_number_total             12912
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     870
_refine_ls_number_reflns         12912
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0341P)²+3.6378P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0777
_refine_special_details          
;
Hydroxyl hydrogens were restrained in position with an O-H bond length of 0.87 angstroms and an H-Pd
distance of 2.57 angstroms
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-H3A = O1-H1
 0.87 with sigma of 0.001
 Pd4-H3A = H3A-Pd3
 2.57 with sigma of 0.01
 Pd1-H1 = H1-Pd2
 2.57 with sigma of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C22(H22A,H22B), C43(H43A,H43B), C64(H64A,H64B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C16(H16), C17(H17), C18(H18), C19(H19), C24(H24), C25(H25), C26(H26), C27(H27),
  C30(H30), C31(H31), C32(H32), C33(H33), C37(H37), C38(H38), C39(H39),
 C40(H40), C45(H45), C46(H46), C47(H47), C48(H48), C51(H51), C52(H52), C53(H53),
  C54(H54), C58(H58), C59(H59), C60(H60), C61(H61), C66(H66), C67(H67),
 C68(H68), C69(H69), C72(H72), C73(H73), C74(H74), C75(H75), C79(H79), C80(H80),
  C81(H81), C82(H82)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C35(H35A,H35B,H35C), C42(H42A,H42B,
 H42C), C56(H56A,H56B,H56C), C63(H63A,H63B,H63C), C77(H77A,H77B,H77C), C84(H84A,
 H84B,H84C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2499(3) 0.5806(3) 0.57850(19) 0.0283(8) Uani 1 1 d . . . . .
H1A H 0.217310 0.508477 0.584228 0.034 Uiso 1 1 calc R U . . .
H1B H 0.199879 0.608718 0.594577 0.034 Uiso 1 1 calc R U . . .
C2 C 0.2510(3) 0.5818(3) 0.5046(2) 0.0286(8) Uani 1 1 d . . . . .
C3 C 0.1583(4) 0.5181(3) 0.4570(2) 0.0382(10) Uani 1 1 d . . . . .
H3 H 0.091617 0.473348 0.471202 0.046 Uiso 1 1 calc R U . . .
C4 C 0.1637(4) 0.5203(4) 0.3893(2) 0.0487(13) Uani 1 1 d . . . . .
H4 H 0.101117 0.475658 0.357466 0.058 Uiso 1 1 calc R U . . .
C5 C 0.2583(4) 0.5861(3) 0.3676(2) 0.0408(11) Uani 1 1 d . . . . .
H5 H 0.260359 0.588242 0.321259 0.049 Uiso 1 1 calc R U . . .
C6 C 0.3509(4) 0.6494(3) 0.4137(2) 0.0357(10) Uani 1 1 d . . . . .
H6 H 0.416873 0.694469 0.398982 0.043 Uiso 1 1 calc R U . . .
C7 C 0.3466(3) 0.6466(3) 0.48178(19) 0.0273(8) Uani 1 1 d . . . . .
C8 C 0.4794(4) 0.8508(3) 0.56354(19) 0.0331(9) Uani 1 1 d . . . . .
C9 C 0.3869(4) 0.8658(3) 0.5406(2) 0.0437(11) Uani 1 1 d . . . . .
H9 H 0.322973 0.810271 0.515093 0.052 Uiso 1 1 calc R U . . .
C10 C 0.3917(5) 0.9611(4) 0.5558(2) 0.0499(12) Uani 1 1 d . . . . .
H10 H 0.331505 0.972427 0.541006 0.060 Uiso 1 1 calc R U . . .
C11 C 0.4862(5) 1.0402(4) 0.5932(2) 0.0526(13) Uani 1 1 d . . . . .
H11 H 0.488997 1.105893 0.603326 0.063 Uiso 1 1 calc R U . . .
C12 C 0.5747(5) 1.0294(4) 0.6162(2) 0.0488(12) Uani 1 1 d . . . . .
H12 H 0.638343 1.086507 0.640760 0.059 Uiso 1 1 calc R U . . .
C13 C 0.5709(4) 0.9318(3) 0.6030(2) 0.0433(11) Uani 1 1 d . . . . .
C14 C 0.6652(4) 0.9201(4) 0.6318(3) 0.0502(12) Uani 1 1 d . . . . .
H14A H 0.638473 0.862902 0.655936 0.075 Uiso 1 1 calc R U . . .
H14B H 0.715413 0.983039 0.662916 0.075 Uiso 1 1 calc R U . . .
H14C H 0.704455 0.906434 0.595780 0.075 Uiso 1 1 calc R U . . .
C15 C 0.5798(3) 0.7203(3) 0.51333(18) 0.0275(8) Uani 1 1 d . . . . .
C16 C 0.6271(4) 0.7903(4) 0.4714(2) 0.0400(10) Uani 1 1 d . . . . .
H16 H 0.600460 0.838814 0.466967 0.048 Uiso 1 1 calc R U . . .
C17 C 0.7104(4) 0.7915(4) 0.4364(2) 0.0485(12) Uani 1 1 d . . . . .
H17 H 0.740777 0.839560 0.407897 0.058 Uiso 1 1 calc R U . . .
C18 C 0.7486(4) 0.7231(4) 0.4432(2) 0.0480(13) Uani 1 1 d . . . . .
H18 H 0.806390 0.723273 0.419119 0.058 Uiso 1 1 calc R U . . .
C19 C 0.7050(4) 0.6524(4) 0.4847(2) 0.0460(12) Uani 1 1 d . . . . .
H19 H 0.732786 0.604443 0.488051 0.055 Uiso 1 1 calc R U . . .
C20 C 0.6201(3) 0.6506(3) 0.5221(2) 0.0310(9) Uani 1 1 d . . . . .
C21 C 0.5824(4) 0.5777(3) 0.5707(2) 0.0407(10) Uani 1 1 d . . . . .
H21A H 0.618283 0.614490 0.616053 0.061 Uiso 1 1 calc R U . . .
H21B H 0.602385 0.522282 0.557954 0.061 Uiso 1 1 calc R U . . .
H21C H 0.502232 0.549049 0.569420 0.061 Uiso 1 1 calc R U . . .
C22 C 0.3674(3) 0.6455(3) 0.87053(18) 0.0245(8) Uani 1 1 d . . . . .
H22A H 0.294912 0.642007 0.856463 0.029 Uiso 1 1 calc R U . . .
H22B H 0.354382 0.577654 0.879627 0.029 Uiso 1 1 calc R U . . .
C23 C 0.4211(3) 0.7241(3) 0.93385(18) 0.0236(8) Uani 1 1 d . . . . .
C24 C 0.3647(3) 0.7584(3) 0.9773(2) 0.0307(9) Uani 1 1 d . . . . .
H24 H 0.286714 0.730158 0.968583 0.037 Uiso 1 1 calc R U . . .
C25 C 0.4211(3) 0.8336(3) 1.0334(2) 0.0335(9) Uani 1 1 d . . . . .
H25 H 0.381680 0.857814 1.062026 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5354(3) 0.8740(3) 1.0482(2) 0.0337(9) Uani 1 1 d . . . . .
H26 H 0.573333 0.923547 1.087659 0.040 Uiso 1 1 calc R U . . .
C27 C 0.5930(3) 0.8414(3) 1.00489(18) 0.0274(8) Uani 1 1 d . . . . .
H27 H 0.671015 0.869668 1.013934 0.033 Uiso 1 1 calc R U . . .
C28 C 0.5364(3) 0.7674(3) 0.94821(18) 0.0220(7) Uani 1 1 d . . . . .
C29 C 0.6232(3) 0.6236(3) 0.89842(19) 0.0250(8) Uani 1 1 d . . . . .
C30 C 0.6140(3) 0.6015(3) 0.9618(2) 0.0353(9) Uani 1 1 d . . . . .
H30 H 0.592495 0.639569 0.994317 0.042 Uiso 1 1 calc R U . . .
C31 C 0.6358(4) 0.5234(4) 0.9790(3) 0.0448(11) Uani 1 1 d . . . . .
H31 H 0.630129 0.509421 1.023122 0.054 Uiso 1 1 calc R U . . .
C32 C 0.6654(4) 0.4673(3) 0.9323(3) 0.0416(11) Uani 1 1 d . . . . .
H32 H 0.680474 0.414433 0.943718 0.050 Uiso 1 1 calc R U . . .
C33 C 0.6731(3) 0.4882(3) 0.8683(2) 0.0356(10) Uani 1 1 d . . . . .
H33 H 0.693158 0.448555 0.836058 0.043 Uiso 1 1 calc R U . . .
C34 C 0.6525(3) 0.5658(3) 0.8494(2) 0.0291(9) Uani 1 1 d . . . . .
C35 C 0.6612(4) 0.5845(3) 0.7790(2) 0.0346(9) Uani 1 1 d . . . . .
H35A H 0.588117 0.567952 0.756773 0.052 Uiso 1 1 calc R U . . .
H35B H 0.689676 0.541211 0.754487 0.052 Uiso 1 1 calc R U . . .
H35C H 0.711476 0.656490 0.779775 0.052 Uiso 1 1 calc R U . . .
C36 C 0.7319(3) 0.8343(3) 0.88353(17) 0.0209(7) Uani 1 1 d . . . . .
C37 C 0.8243(3) 0.8286(3) 0.91263(19) 0.0256(8) Uani 1 1 d . . . . .
H37 H 0.814941 0.767535 0.927081 0.031 Uiso 1 1 calc R U . . .
C38 C 0.9277(3) 0.9092(3) 0.9206(2) 0.0312(9) Uani 1 1 d . . . . .
H38 H 0.988829 0.904875 0.941924 0.037 Uiso 1 1 calc R U . . .
C39 C 0.9425(3) 0.9963(3) 0.8978(2) 0.0357(10) Uani 1 1 d . . . . .
H39 H 1.014459 1.051412 0.901697 0.043 Uiso 1 1 calc R U . . .
C40 C 0.8526(3) 1.0039(3) 0.8689(2) 0.0338(9) Uani 1 1 d . . . . .
H40 H 0.863676 1.064602 0.853302 0.041 Uiso 1 1 calc R U . . .
C41 C 0.7459(3) 0.9239(3) 0.86226(18) 0.0254(8) Uani 1 1 d . . . . .
C42 C 0.6509(3) 0.9383(3) 0.8338(2) 0.0375(10) Uani 1 1 d . . . . .
H42A H 0.611556 0.885764 0.793688 0.056 Uiso 1 1 calc R U . . .
H42B H 0.678669 1.006110 0.821757 0.056 Uiso 1 1 calc R U . . .
H42C H 0.600380 0.932447 0.867220 0.056 Uiso 1 1 calc R U . . .
C43 C 0.3118(3) 0.4239(3) 0.73955(19) 0.0240(8) Uani 1 1 d . . . . .
H43A H 0.316087 0.386450 0.696325 0.029 Uiso 1 1 calc R U . . .
H43B H 0.385124 0.482949 0.755050 0.029 Uiso 1 1 calc R U . . .
C44 C 0.2846(3) 0.3550(3) 0.78964(18) 0.0242(8) Uani 1 1 d . . . . .
C45 C 0.3647(3) 0.3463(3) 0.8302(2) 0.0308(9) Uani 1 1 d . . . . .
H45 H 0.440597 0.386237 0.826987 0.037 Uiso 1 1 calc R U . . .
C46 C 0.3343(3) 0.2798(3) 0.8750(2) 0.0363(10) Uani 1 1 d . . . . .
H46 H 0.389530 0.273124 0.901469 0.044 Uiso 1 1 calc R U . . .
C47 C 0.2249(4) 0.2234(4) 0.8817(2) 0.0422(11) Uani 1 1 d . . . . .
H47 H 0.205017 0.179226 0.913399 0.051 Uiso 1 1 calc R U . . .
C48 C 0.1434(4) 0.2311(3) 0.8421(2) 0.0399(11) Uani 1 1 d . . . . .
H48 H 0.067779 0.191625 0.846011 0.048 Uiso 1 1 calc R U . . .
C49 C 0.1740(3) 0.2973(3) 0.7967(2) 0.0274(8) Uani 1 1 d . . . . .
C50 C -0.0344(3) 0.3079(3) 0.78650(19) 0.0242(8) Uani 1 1 d . . . . .
C51 C -0.1405(3) 0.2325(3) 0.7585(2) 0.0285(8) Uani 1 1 d . . . . .
H51 H -0.149859 0.187807 0.717577 0.034 Uiso 1 1 calc R U . . .
C52 C -0.2318(3) 0.2223(3) 0.7895(2) 0.0350(10) Uani 1 1 d . . . . .
H52 H -0.303277 0.171349 0.769623 0.042 Uiso 1 1 calc R U . . .
C53 C -0.2192(4) 0.2853(3) 0.8486(2) 0.0362(10) Uani 1 1 d . . . . .
H53 H -0.281859 0.278324 0.869917 0.043 Uiso 1 1 calc R U . . .
C54 C -0.1153(4) 0.3593(3) 0.8775(2) 0.0355(9) Uani 1 1 d . . . . .
H54 H -0.107588 0.401965 0.918972 0.043 Uiso 1 1 calc R U . . .
C55 C -0.0217(3) 0.3731(3) 0.8474(2) 0.0297(8) Uani 1 1 d . . . . .
C56 C 0.0893(4) 0.4557(4) 0.8807(2) 0.0431(11) Uani 1 1 d . . . . .
H56A H 0.135105 0.424569 0.894869 0.065 Uiso 1 1 calc R U . . .
H56B H 0.079798 0.496483 0.919927 0.065 Uiso 1 1 calc R U . . .
H56C H 0.125224 0.499924 0.848988 0.065 Uiso 1 1 calc R U . . .
C57 C 0.0265(3) 0.2155(3) 0.6712(2) 0.0249(8) Uani 1 1 d . . . . .
C58 C 0.0439(3) 0.1302(3) 0.6738(2) 0.0356(10) Uani 1 1 d . . . . .
H58 H 0.084483 0.128030 0.712519 0.043 Uiso 1 1 calc R U . . .
C59 C 0.0024(4) 0.0482(3) 0.6202(3) 0.0478(12) Uani 1 1 d . . . . .
H59 H 0.015201 -0.009323 0.622095 0.057 Uiso 1 1 calc R U . . .
C60 C -0.0573(4) 0.0508(3) 0.5646(2) 0.0460(12) Uani 1 1 d . . . . .
H60 H -0.087376 -0.005897 0.528397 0.055 Uiso 1 1 calc R U . . .
C61 C -0.0737(4) 0.1342(3) 0.5610(2) 0.0407(11) Uani 1 1 d . . . . .
H61 H -0.114508 0.134848 0.521835 0.049 Uiso 1 1 calc R U . . .
C62 C -0.0321(3) 0.2189(3) 0.6135(2) 0.0298(9) Uani 1 1 d . . . . .
C63 C -0.0523(4) 0.3086(3) 0.6064(2) 0.0375(10) Uani 1 1 d . . . . .
H63A H 0.017108 0.366408 0.601471 0.056 Uiso 1 1 calc R U . . .
H63B H -0.080975 0.327623 0.646397 0.056 Uiso 1 1 calc R U . . .
H63C H -0.106121 0.290458 0.566790 0.056 Uiso 1 1 calc R U . . .
C64 C 0.3646(3) 0.8361(3) 0.7668(2) 0.0260(8) Uani 1 1 d . . . . .
H64A H 0.395612 0.841493 0.813128 0.031 Uiso 1 1 calc R U . . .
H64B H 0.419892 0.835559 0.737274 0.031 Uiso 1 1 calc R U . . .
C65 C 0.3508(3) 0.9307(3) 0.76354(18) 0.0231(8) Uani 1 1 d . . . . .
C66 C 0.4368(3) 1.0242(3) 0.7582(2) 0.0313(9) Uani 1 1 d . . . . .
H66 H 0.509500 1.031070 0.758354 0.038 Uiso 1 1 calc R U . . .
C67 C 0.4181(4) 1.1066(3) 0.7528(2) 0.0409(11) Uani 1 1 d . . . . .
H67 H 0.477949 1.170165 0.749741 0.049 Uiso 1 1 calc R U . . .
C68 C 0.3123(4) 1.0976(3) 0.7519(2) 0.0414(11) Uani 1 1 d . . . . .
H68 H 0.299364 1.154163 0.746357 0.050 Uiso 1 1 calc R U . . .
C69 C 0.2255(3) 1.0064(3) 0.7590(2) 0.0340(9) Uani 1 1 d . . . . .
H69 H 0.153321 1.000512 0.760087 0.041 Uiso 1 1 calc R U . . .
C70 C 0.2457(3) 0.9235(3) 0.76438(19) 0.0240(8) Uani 1 1 d . . . . .
C71 C 0.0229(3) 0.7857(3) 0.71758(19) 0.0236(8) Uani 1 1 d . . . . .
C72 C -0.0538(3) 0.8077(3) 0.7495(2) 0.0309(9) Uani 1 1 d . . . . .
H72 H -0.046926 0.820178 0.797038 0.037 Uiso 1 1 calc R U . . .
C73 C -0.1404(3) 0.8117(3) 0.7127(2) 0.0346(9) Uani 1 1 d . . . . .
H73 H -0.191783 0.827776 0.734849 0.041 Uiso 1 1 calc R U . . .
C74 C -0.1506(3) 0.7921(3) 0.6442(2) 0.0361(10) Uani 1 1 d . . . . .
H74 H -0.210442 0.793132 0.618565 0.043 Uiso 1 1 calc R U . . .
C75 C -0.0743(4) 0.7708(3) 0.6120(2) 0.0356(10) Uani 1 1 d . . . . .
H75 H -0.082543 0.757483 0.564453 0.043 Uiso 1 1 calc R U . . .
C76 C 0.0136(3) 0.7686(3) 0.6476(2) 0.0285(8) Uani 1 1 d . . . . .
C77 C 0.0967(4) 0.7496(4) 0.6098(2) 0.0492(13) Uani 1 1 d . . . . .
H77A H 0.103075 0.690882 0.622381 0.074 Uiso 1 1 calc R U . . .
H77B H 0.168616 0.810224 0.620779 0.074 Uiso 1 1 calc R U . . .
H77C H 0.072606 0.735273 0.561519 0.074 Uiso 1 1 calc R U . . .
C78 C 0.1132(3) 0.7940(3) 0.85359(19) 0.0245(8) Uani 1 1 d . . . . .
C79 C 0.1837(3) 0.8773(3) 0.9034(2) 0.0320(9) Uani 1 1 d . . . . .
H79 H 0.239411 0.936001 0.890941 0.038 Uiso 1 1 calc R U . . .
C80 C 0.1733(4) 0.8754(4) 0.9708(2) 0.0393(10) Uani 1 1 d . . . . .
H80 H 0.221895 0.931993 1.004259 0.047 Uiso 1 1 calc R U . . .
C81 C 0.0912(4) 0.7897(4) 0.9886(2) 0.0446(12) Uani 1 1 d . . . . .
H81 H 0.082857 0.787647 1.034479 0.054 Uiso 1 1 calc R U . . .
C82 C 0.0220(4) 0.7080(4) 0.9399(2) 0.0419(11) Uani 1 1 d . . . . .
H82 H -0.034135 0.650176 0.953112 0.050 Uiso 1 1 calc R U . . .
C83 C 0.0309(3) 0.7066(3) 0.8719(2) 0.0315(9) Uani 1 1 d . . . . .
C84 C -0.0454(4) 0.6149(3) 0.8204(2) 0.0422(11) Uani 1 1 d . . . . .
H84A H -0.105895 0.626395 0.801801 0.063 Uiso 1 1 calc R U . . .
H84B H -0.075509 0.554585 0.841504 0.063 Uiso 1 1 calc R U . . .
H84C H -0.004692 0.603979 0.784455 0.063 Uiso 1 1 calc R U . . .
O1 O 0.5495(2) 0.72785(19) 0.71003(11) 0.0233(5) Uani 1 1 d D . . . .
H1 H 0.5812(9) 0.6889(8) 0.7003(6) 0.028 Uiso 1 1 d D U . . .
O2 O 0.32135(18) 0.62139(17) 0.72358(12) 0.0187(5) Uani 1 1 d . . . . .
O3 O 0.0906(2) 0.54589(16) 0.70932(12) 0.0219(5) Uani 1 1 d D . . . .
H3A H 0.0734(10) 0.5365(9) 0.66624(17) 0.026 Uiso 1 1 d D U . . .
P1 P 0.45942(8) 0.71835(7) 0.54998(4) 0.02189(19) Uani 1 1 d . . . . .
P2 P 0.59437(7) 0.72676(7) 0.87810(4) 0.01957(18) Uani 1 1 d . . . . .
P3 P 0.08416(7) 0.32343(6) 0.74213(5) 0.02024(18) Uani 1 1 d . . . . .
P4 P 0.14333(7) 0.79458(6) 0.76718(5) 0.02001(18) Uani 1 1 d . . . . .
Pd1 Pd 0.39652(2) 0.65817(2) 0.63892(2) 0.01874(6) Uani 1 1 d D . . . .
Pd2 Pd 0.46117(2) 0.67813(2) 0.79465(2) 0.01797(6) Uani 1 1 d D . . . .
Pd3 Pd 0.19858(2) 0.47627(2) 0.72490(2) 0.01701(6) Uani 1 1 d D . . . .
Pd4 Pd 0.22656(2) 0.69905(2) 0.74037(2) 0.01766(6) Uani 1 1 d 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 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.507(5) . ?
C1 Pd1 2.031(4) . ?
C2 C3 1.408(5) . ?
C2 C7 1.388(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.374(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.396(5) . ?
C7 P1 1.822(4) . ?
C8 C9 1.439(6) . ?
C8 C13 1.391(6) . ?
C8 P1 1.838(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.374(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.353(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.412(6) . ?
C13 C14 1.474(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.397(6) . ?
C15 C20 1.395(6) . ?
C15 P1 1.830(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.367(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.348(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.412(6) . ?
C20 C21 1.511(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.506(5) . ?
C22 Pd2 2.034(4) . ?
C23 C24 1.386(5) . ?
C23 C28 1.404(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.396(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.383(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.387(5) . ?
C28 P2 1.821(4) . ?
C29 C30 1.375(5) . ?
C29 C34 1.411(6) . ?
C29 P2 1.834(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.402(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.366(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.397(5) . ?
C34 C35 1.500(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.403(5) . ?
C36 C41 1.395(5) . ?
C36 P2 1.834(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.370(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.371(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.387(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.396(5) . ?
C41 C42 1.503(5) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.494(5) . ?
C43 Pd3 2.036(3) . ?
C44 C45 1.394(5) . ?
C44 C49 1.395(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.386(6) . ?
C46 H46 0.9500 . ?
C46 C47 1.378(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.391(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.392(5) . ?
C49 P3 1.810(4) . ?
C50 C51 1.403(5) . ?
C50 C55 1.410(5) . ?
C50 P3 1.836(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.385(6) . ?
C52 H52 0.9500 . ?
C52 C53 1.365(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.381(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.390(6) . ?
C55 C56 1.505(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.396(5) . ?
C57 C62 1.403(6) . ?
C57 P3 1.835(4) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(6) . ?
C59 H59 0.9500 . ?
C59 C60 1.373(7) . ?
C60 H60 0.9500 . ?
C60 C61 1.361(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.401(6) . ?
C62 C63 1.497(6) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.507(5) . ?
C64 Pd4 2.041(3) . ?
C65 C66 1.390(5) . ?
C65 C70 1.389(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.373(6) . ?
C67 H67 0.9500 . ?
C67 C68 1.387(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.384(6) . ?
C69 H69 0.9500 . ?
C69 C70 1.392(5) . ?
C70 P4 1.816(4) . ?
C71 C72 1.391(5) . ?
C71 C76 1.398(5) . ?
C71 P4 1.822(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.391(5) . ?
C73 H73 0.9500 . ?
C73 C74 1.370(6) . ?
C74 H74 0.9500 . ?
C74 C75 1.383(6) . ?
C75 H75 0.9500 . ?
C75 C76 1.382(5) . ?
C76 C77 1.507(6) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C79 1.402(6) . ?
C78 C83 1.407(5) . ?
C78 P4 1.828(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.389(6) . ?
C80 H80 0.9500 . ?
C80 C81 1.386(7) . ?
C81 H81 0.9500 . ?
C81 C82 1.373(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.396(6) . ?
C83 C84 1.500(6) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
O1 H1 0.8697(10) . ?
O1 Pd1 2.202(2) . ?
O1 Pd2 2.184(2) . ?
O2 Pd1 2.070(2) . ?
O2 Pd2 2.089(2) . ?
O2 Pd3 2.070(2) . ?
O2 Pd4 2.088(2) . ?
O3 H3A 0.8698(10) . ?
O3 Pd3 2.172(2) . ?
O3 Pd4 2.178(2) . ?
P1 Pd1 2.1840(9) . ?
P2 Pd2 2.2033(9) . ?
P3 Pd3 2.2069(9) . ?
P4 Pd4 2.2037(9) . ?
Pd1 Pd2 3.1785(4) . ?
Pd3 Pd4 3.1227(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
H1A C1 H1B 107.2 . . ?
C2 C1 H1A 107.9 . . ?
C2 C1 H1B 107.9 . . ?
C2 C1 Pd1 117.4(3) . . ?
Pd1 C1 H1A 107.9 . . ?
Pd1 C1 H1B 107.9 . . ?
C3 C2 C1 122.3(4) . . ?
C7 C2 C1 119.7(3) . . ?
C7 C2 C3 118.0(4) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.7(4) . . ?
C7 C6 H6 120.2 . . ?
C2 C7 C6 121.3(4) . . ?
C2 C7 P1 111.7(3) . . ?
C6 C7 P1 126.9(3) . . ?
C9 C8 P1 116.5(3) . . ?
C13 C8 C9 119.6(4) . . ?
C13 C8 P1 123.0(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.6(5) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 120.7 . . ?
C9 C10 C11 118.6(5) . . ?
C11 C10 H10 120.7 . . ?
C10 C11 H11 118.1 . . ?
C12 C11 C10 123.8(5) . . ?
C12 C11 H11 118.1 . . ?
C11 C12 H12 120.6 . . ?
C11 C12 C13 118.8(5) . . ?
C13 C12 H12 120.6 . . ?
C8 C13 C12 119.4(5) . . ?
C8 C13 C14 122.5(4) . . ?
C12 C13 C14 118.1(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P1 117.5(3) . . ?
C20 C15 C16 119.8(4) . . ?
C20 C15 P1 122.5(3) . . ?
C15 C16 H16 118.9 . . ?
C17 C16 C15 122.2(5) . . ?
C17 C16 H16 118.9 . . ?
C16 C17 H17 120.6 . . ?
C18 C17 C16 118.7(5) . . ?
C18 C17 H17 120.6 . . ?
C17 C18 H18 119.3 . . ?
C17 C18 C19 121.3(4) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.1(4) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C19 116.9(4) . . ?
C15 C20 C21 124.5(4) . . ?
C19 C20 C21 118.6(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 H22A 109.1 . . ?
C23 C22 H22B 109.1 . . ?
C23 C22 Pd2 112.3(2) . . ?
Pd2 C22 H22A 109.1 . . ?
Pd2 C22 H22B 109.1 . . ?
C24 C23 C22 124.3(3) . . ?
C24 C23 C28 118.4(4) . . ?
C28 C23 C22 117.3(3) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.6(4) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.5(4) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.7(4) . . ?
C28 C27 H27 120.2 . . ?
C23 C28 P2 110.6(3) . . ?
C27 C28 C23 121.3(4) . . ?
C27 C28 P2 127.5(3) . . ?
C30 C29 C34 119.9(4) . . ?
C30 C29 P2 119.4(3) . . ?
C34 C29 P2 120.7(3) . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0(4) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.4(4) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 118.9 . . ?
C32 C33 C34 122.3(4) . . ?
C34 C33 H33 118.9 . . ?
C29 C34 C35 122.4(3) . . ?
C33 C34 C29 117.7(4) . . ?
C33 C34 C35 119.9(4) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 P2 119.6(3) . . ?
C41 C36 C37 119.2(3) . . ?
C41 C36 P2 121.1(3) . . ?
C36 C37 H37 119.3 . . ?
C38 C37 C36 121.3(3) . . ?
C38 C37 H37 119.3 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.7(4) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 120.0 . . ?
C38 C39 C40 120.0(4) . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 119.4 . . ?
C39 C40 C41 121.2(4) . . ?
C41 C40 H40 119.4 . . ?
C36 C41 C40 118.4(3) . . ?
C36 C41 C42 122.6(3) . . ?
C40 C41 C42 119.0(3) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
H43A C43 H43B 107.8 . . ?
C44 C43 H43A 109.0 . . ?
C44 C43 H43B 109.0 . . ?
C44 C43 Pd3 112.7(3) . . ?
Pd3 C43 H43A 109.0 . . ?
Pd3 C43 H43B 109.0 . . ?
C45 C44 C43 123.1(3) . . ?
C45 C44 C49 118.5(3) . . ?
C49 C44 C43 118.5(3) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(4) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 119.7 . . ?
C47 C46 C45 120.7(4) . . ?
C47 C46 H46 119.7 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(4) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.3(4) . . ?
C49 C48 H48 120.4 . . ?
C44 C49 P3 111.5(3) . . ?
C48 C49 C44 121.2(4) . . ?
C48 C49 P3 127.3(3) . . ?
C51 C50 C55 118.9(4) . . ?
C51 C50 P3 119.9(3) . . ?
C55 C50 P3 121.2(3) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.0(4) . . ?
C52 C51 H51 119.5 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0(4) . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C54 120.0(4) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 119.1 . . ?
C53 C54 C55 121.8(4) . . ?
C55 C54 H54 119.1 . . ?
C50 C55 C56 122.0(4) . . ?
C54 C55 C50 118.4(4) . . ?
C54 C55 C56 119.6(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 119.5(4) . . ?
C58 C57 P3 119.6(3) . . ?
C62 C57 P3 120.9(3) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 C57 120.5(4) . . ?
C59 C58 H58 119.8 . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.8(4) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 119.8 . . ?
C61 C60 C59 120.4(4) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 119.1 . . ?
C60 C61 C62 121.7(4) . . ?
C62 C61 H61 119.1 . . ?
C57 C62 C63 122.6(3) . . ?
C61 C62 C57 118.1(4) . . ?
C61 C62 C63 119.3(4) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
H64A C64 H64B 107.3 . . ?
C65 C64 H64A 108.1 . . ?
C65 C64 H64B 108.1 . . ?
C65 C64 Pd4 116.9(2) . . ?
Pd4 C64 H64A 108.1 . . ?
Pd4 C64 H64B 108.1 . . ?
C66 C65 C64 123.7(3) . . ?
C70 C65 C64 118.1(3) . . ?
C70 C65 C66 118.2(3) . . ?
C65 C66 H66 119.5 . . ?
C67 C66 C65 120.9(4) . . ?
C67 C66 H66 119.5 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.3(4) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.1(4) . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 120.6 . . ?
C68 C69 C70 118.9(4) . . ?
C70 C69 H69 120.6 . . ?
C65 C70 C69 121.5(3) . . ?
C65 C70 P4 111.9(3) . . ?
C69 C70 P4 126.4(3) . . ?
C72 C71 C76 119.5(3) . . ?
C72 C71 P4 119.6(3) . . ?
C76 C71 P4 120.4(3) . . ?
C71 C72 H72 119.6 . . ?
C73 C72 C71 120.9(4) . . ?
C73 C72 H72 119.6 . . ?
C72 C73 H73 120.4 . . ?
C74 C73 C72 119.2(4) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 119.9 . . ?
C73 C74 C75 120.3(4) . . ?
C75 C74 H74 119.9 . . ?
C74 C75 H75 119.3 . . ?
C76 C75 C74 121.4(4) . . ?
C76 C75 H75 119.3 . . ?
C71 C76 C77 122.5(4) . . ?
C75 C76 C71 118.6(4) . . ?
C75 C76 C77 118.9(4) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C79 C78 C83 119.7(4) . . ?
C79 C78 P4 118.5(3) . . ?
C83 C78 P4 121.2(3) . . ?
C78 C79 H79 119.5 . . ?
C80 C79 C78 121.1(4) . . ?
C80 C79 H79 119.5 . . ?
C79 C80 H80 120.4 . . ?
C81 C80 C79 119.1(4) . . ?
C81 C80 H80 120.4 . . ?
C80 C81 H81 120.0 . . ?
C82 C81 C80 120.0(4) . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 118.8 . . ?
C81 C82 C83 122.4(4) . . ?
C83 C82 H82 118.8 . . ?
C78 C83 C84 121.7(4) . . ?
C82 C83 C78 117.7(4) . . ?
C82 C83 C84 120.6(4) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Pd1 O1 H1 104.8(8) . . ?
Pd2 O1 H1 106.3(8) . . ?
Pd2 O1 Pd1 92.89(10) . . ?
Pd1 O2 Pd2 99.66(9) . . ?
Pd1 O2 Pd4 108.52(10) . . ?
Pd3 O2 Pd1 121.79(11) . . ?
Pd3 O2 Pd2 116.91(11) . . ?
Pd3 O2 Pd4 97.35(9) . . ?
Pd4 O2 Pd2 112.94(10) . . ?
Pd3 O3 H3A 106.8(8) . . ?
Pd3 O3 Pd4 91.77(9) . . ?
Pd4 O3 H3A 107.2(8) . . ?
C7 P1 C8 106.59(18) . . ?
C7 P1 C15 103.46(18) . . ?
C7 P1 Pd1 105.50(13) . . ?
C8 P1 Pd1 106.37(13) . . ?
C15 P1 C8 106.06(19) . . ?
C15 P1 Pd1 127.38(13) . . ?
C28 P2 C29 107.66(17) . . ?
C28 P2 C36 103.58(17) . . ?
C28 P2 Pd2 101.91(12) . . ?
C29 P2 Pd2 114.33(12) . . ?
C36 P2 C29 103.55(16) . . ?
C36 P2 Pd2 124.38(12) . . ?
C49 P3 C50 105.96(17) . . ?
C49 P3 C57 105.61(18) . . ?
C49 P3 Pd3 101.11(12) . . ?
C50 P3 Pd3 119.60(12) . . ?
C57 P3 C50 103.99(17) . . ?
C57 P3 Pd3 119.02(12) . . ?
C70 P4 C71 101.70(17) . . ?
C70 P4 C78 106.81(18) . . ?
C70 P4 Pd4 104.45(12) . . ?
C71 P4 C78 106.82(17) . . ?
C71 P4 Pd4 124.71(12) . . ?
C78 P4 Pd4 110.74(11) . . ?
C1 Pd1 O1 173.73(13) . . ?
C1 Pd1 O2 91.84(13) . . ?
C1 Pd1 P1 84.52(12) . . ?
C1 Pd1 Pd2 131.84(11) . . ?
O1 Pd1 Pd2 43.33(6) . . ?
O2 Pd1 O1 83.66(9) . . ?
O2 Pd1 P1 167.88(7) . . ?
O2 Pd1 Pd2 40.39(6) . . ?
P1 Pd1 O1 100.77(7) . . ?
P1 Pd1 Pd2 143.33(3) . . ?
C22 Pd2 O1 171.09(12) . . ?
C22 Pd2 O2 91.69(12) . . ?
C22 Pd2 P2 81.40(10) . . ?
C22 Pd2 Pd1 131.47(10) . . ?
O1 Pd2 P2 103.49(7) . . ?
O1 Pd2 Pd1 43.78(6) . . ?
O2 Pd2 O1 83.67(9) . . ?
O2 Pd2 P2 172.70(7) . . ?
O2 Pd2 Pd1 39.95(6) . . ?
P2 Pd2 Pd1 147.09(3) . . ?
C43 Pd3 O2 91.53(12) . . ?
C43 Pd3 O3 174.67(12) . . ?
C43 Pd3 P3 82.30(10) . . ?
C43 Pd3 Pd4 130.67(10) . . ?
O2 Pd3 O3 83.14(9) . . ?
O2 Pd3 P3 170.32(7) . . ?
O2 Pd3 Pd4 41.55(6) . . ?
O3 Pd3 P3 102.98(7) . . ?
O3 Pd3 Pd4 44.20(6) . . ?
P3 Pd3 Pd4 141.25(3) . . ?
C64 Pd4 O2 91.50(12) . . ?
C64 Pd4 O3 174.02(12) . . ?
C64 Pd4 P4 82.46(11) . . ?
C64 Pd4 Pd3 130.44(10) . . ?
O2 Pd4 O3 82.57(9) . . ?
O2 Pd4 P4 173.06(7) . . ?
O2 Pd4 Pd3 41.10(6) . . ?
O3 Pd4 P4 103.50(7) . . ?
O3 Pd4 Pd3 44.04(6) . . ?
P4 Pd4 Pd3 143.40(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
C1 C2 C3 C4 -178.7(4) . . . . ?
C1 C2 C7 C6 179.7(4) . . . . ?
C1 C2 C7 P1 2.0(4) . . . . ?
C2 C3 C4 C5 -1.6(7) . . . . ?
C2 C7 P1 C8 -107.5(3) . . . . ?
C2 C7 P1 C15 140.9(3) . . . . ?
C2 C7 P1 Pd1 5.3(3) . . . . ?
C3 C2 C7 C6 0.5(6) . . . . ?
C3 C2 C7 P1 -177.2(3) . . . . ?
C3 C4 C5 C6 1.8(7) . . . . ?
C4 C5 C6 C7 -0.8(6) . . . . ?
C5 C6 C7 C2 -0.4(6) . . . . ?
C5 C6 C7 P1 177.0(3) . . . . ?
C6 C7 P1 C8 74.9(4) . . . . ?
C6 C7 P1 C15 -36.7(4) . . . . ?
C6 C7 P1 Pd1 -172.3(3) . . . . ?
C7 C2 C3 C4 0.4(6) . . . . ?
C8 C9 C10 C11 -0.1(7) . . . . ?
C9 C8 C13 C12 -4.3(6) . . . . ?
C9 C8 C13 C14 175.9(4) . . . . ?
C9 C8 P1 C7 22.3(4) . . . . ?
C9 C8 P1 C15 132.1(3) . . . . ?
C9 C8 P1 Pd1 -89.9(3) . . . . ?
C9 C10 C11 C12 -0.3(8) . . . . ?
C10 C11 C12 C13 -1.5(8) . . . . ?
C11 C12 C13 C8 3.8(7) . . . . ?
C11 C12 C13 C14 -176.4(5) . . . . ?
C13 C8 C9 C10 2.4(6) . . . . ?
C13 C8 P1 C7 -167.8(4) . . . . ?
C13 C8 P1 C15 -58.1(4) . . . . ?
C13 C8 P1 Pd1 79.9(4) . . . . ?
C15 C16 C17 C18 -0.5(7) . . . . ?
C16 C15 C20 C19 -2.8(6) . . . . ?
C16 C15 C20 C21 174.4(4) . . . . ?
C16 C15 P1 C7 78.9(3) . . . . ?
C16 C15 P1 C8 -33.1(4) . . . . ?
C16 C15 P1 Pd1 -159.2(3) . . . . ?
C16 C17 C18 C19 0.0(7) . . . . ?
C17 C18 C19 C20 -0.9(7) . . . . ?
C18 C19 C20 C15 2.3(6) . . . . ?
C18 C19 C20 C21 -175.1(4) . . . . ?
C20 C15 C16 C17 2.0(7) . . . . ?
C20 C15 P1 C7 -96.6(3) . . . . ?
C20 C15 P1 C8 151.5(3) . . . . ?
C20 C15 P1 Pd1 25.4(4) . . . . ?
C22 C23 C24 C25 -177.8(3) . . . . ?
C22 C23 C28 C27 179.0(3) . . . . ?
C22 C23 C28 P2 7.4(4) . . . . ?
C23 C24 C25 C26 -1.9(6) . . . . ?
C23 C28 P2 C29 -100.4(3) . . . . ?
C23 C28 P2 C36 150.3(3) . . . . ?
C23 C28 P2 Pd2 20.2(3) . . . . ?
C24 C23 C28 C27 1.0(5) . . . . ?
C24 C23 C28 P2 -170.6(3) . . . . ?
C24 C25 C26 C27 2.6(6) . . . . ?
C25 C26 C27 C28 -1.5(6) . . . . ?
C26 C27 C28 C23 -0.3(6) . . . . ?
C26 C27 C28 P2 169.8(3) . . . . ?
C27 C28 P2 C29 88.7(3) . . . . ?
C27 C28 P2 C36 -20.6(4) . . . . ?
C27 C28 P2 Pd2 -150.7(3) . . . . ?
C28 C23 C24 C25 0.1(6) . . . . ?
C29 C30 C31 C32 -0.8(7) . . . . ?
C30 C29 C34 C33 -1.1(6) . . . . ?
C30 C29 C34 C35 178.5(4) . . . . ?
C30 C29 P2 C28 -8.7(4) . . . . ?
C30 C29 P2 C36 100.5(3) . . . . ?
C30 C29 P2 Pd2 -121.2(3) . . . . ?
C30 C31 C32 C33 -0.1(7) . . . . ?
C31 C32 C33 C34 0.5(7) . . . . ?
C32 C33 C34 C29 0.1(6) . . . . ?
C32 C33 C34 C35 -179.4(4) . . . . ?
C34 C29 C30 C31 1.5(6) . . . . ?
C34 C29 P2 C28 170.0(3) . . . . ?
C34 C29 P2 C36 -80.7(3) . . . . ?
C34 C29 P2 Pd2 57.6(3) . . . . ?
C36 C37 C38 C39 -2.3(6) . . . . ?
C37 C36 C41 C40 2.0(5) . . . . ?
C37 C36 C41 C42 -176.9(4) . . . . ?
C37 C36 P2 C28 100.0(3) . . . . ?
C37 C36 P2 C29 -12.3(3) . . . . ?
C37 C36 P2 Pd2 -145.0(2) . . . . ?
C37 C38 C39 C40 2.3(7) . . . . ?
C38 C39 C40 C41 -0.2(7) . . . . ?
C39 C40 C41 C36 -2.0(6) . . . . ?
C39 C40 C41 C42 177.0(4) . . . . ?
C41 C36 C37 C38 0.1(6) . . . . ?
C41 C36 P2 C28 -76.8(3) . . . . ?
C41 C36 P2 C29 170.9(3) . . . . ?
C41 C36 P2 Pd2 38.2(4) . . . . ?
C43 C44 C45 C46 -179.0(4) . . . . ?
C43 C44 C49 C48 179.5(4) . . . . ?
C43 C44 C49 P3 -1.7(4) . . . . ?
C44 C45 C46 C47 -1.8(7) . . . . ?
C44 C49 P3 C50 -148.0(3) . . . . ?
C44 C49 P3 C57 102.0(3) . . . . ?
C44 C49 P3 Pd3 -22.6(3) . . . . ?
C45 C44 C49 C48 -1.1(6) . . . . ?
C45 C44 C49 P3 177.7(3) . . . . ?
C45 C46 C47 C48 1.5(7) . . . . ?
C46 C47 C48 C49 -0.9(7) . . . . ?
C47 C48 C49 C44 0.8(7) . . . . ?
C47 C48 C49 P3 -177.8(4) . . . . ?
C48 C49 P3 C50 30.6(4) . . . . ?
C48 C49 P3 C57 -79.3(4) . . . . ?
C48 C49 P3 Pd3 156.1(4) . . . . ?
C49 C44 C45 C46 1.6(6) . . . . ?
C50 C51 C52 C53 -0.7(6) . . . . ?
C51 C50 C55 C54 0.5(5) . . . . ?
C51 C50 C55 C56 179.9(4) . . . . ?
C51 C50 P3 C49 -118.0(3) . . . . ?
C51 C50 P3 C57 -6.9(3) . . . . ?
C51 C50 P3 Pd3 128.9(3) . . . . ?
C51 C52 C53 C54 0.0(6) . . . . ?
C52 C53 C54 C55 1.0(6) . . . . ?
C53 C54 C55 C50 -1.2(6) . . . . ?
C53 C54 C55 C56 179.3(4) . . . . ?
C55 C50 C51 C52 0.4(5) . . . . ?
C55 C50 P3 C49 64.5(3) . . . . ?
C55 C50 P3 C57 175.6(3) . . . . ?
C55 C50 P3 Pd3 -48.6(3) . . . . ?
C57 C58 C59 C60 -0.7(7) . . . . ?
C58 C57 C62 C61 1.7(6) . . . . ?
C58 C57 C62 C63 -178.9(4) . . . . ?
C58 C57 P3 C49 9.2(4) . . . . ?
C58 C57 P3 C50 -102.1(3) . . . . ?
C58 C57 P3 Pd3 121.8(3) . . . . ?
C58 C59 C60 C61 1.6(7) . . . . ?
C59 C60 C61 C62 -0.8(7) . . . . ?
C60 C61 C62 C57 -0.9(6) . . . . ?
C60 C61 C62 C63 179.6(4) . . . . ?
C62 C57 C58 C59 -0.9(6) . . . . ?
C62 C57 P3 C49 -169.0(3) . . . . ?
C62 C57 P3 C50 79.7(3) . . . . ?
C62 C57 P3 Pd3 -56.4(3) . . . . ?
C64 C65 C66 C67 177.4(4) . . . . ?
C64 C65 C70 C69 -177.5(4) . . . . ?
C64 C65 C70 P4 -1.5(4) . . . . ?
C65 C66 C67 C68 -0.7(7) . . . . ?
C65 C70 P4 C71 -145.8(3) . . . . ?
C65 C70 P4 C78 102.4(3) . . . . ?
C65 C70 P4 Pd4 -15.0(3) . . . . ?
C66 C65 C70 C69 1.1(6) . . . . ?
C66 C65 C70 P4 177.0(3) . . . . ?
C66 C67 C68 C69 2.5(7) . . . . ?
C67 C68 C69 C70 -2.5(7) . . . . ?
C68 C69 C70 C65 0.7(6) . . . . ?
C68 C69 C70 P4 -174.7(3) . . . . ?
C69 C70 P4 C71 29.9(4) . . . . ?
C69 C70 P4 C78 -81.9(4) . . . . ?
C69 C70 P4 Pd4 160.8(3) . . . . ?
C70 C65 C66 C67 -1.1(6) . . . . ?
C71 C72 C73 C74 1.0(6) . . . . ?
C72 C71 C76 C75 -2.1(6) . . . . ?
C72 C71 C76 C77 176.8(4) . . . . ?
C72 C71 P4 C70 -94.4(3) . . . . ?
C72 C71 P4 C78 17.4(4) . . . . ?
C72 C71 P4 Pd4 148.6(3) . . . . ?
C72 C73 C74 C75 -1.4(6) . . . . ?
C73 C74 C75 C76 0.1(6) . . . . ?
C74 C75 C76 C71 1.7(6) . . . . ?
C74 C75 C76 C77 -177.3(4) . . . . ?
C76 C71 C72 C73 0.8(6) . . . . ?
C76 C71 P4 C70 78.1(3) . . . . ?
C76 C71 P4 C78 -170.1(3) . . . . ?
C76 C71 P4 Pd4 -38.8(4) . . . . ?
C78 C79 C80 C81 -0.5(6) . . . . ?
C79 C78 C83 C82 1.3(5) . . . . ?
C79 C78 C83 C84 -179.1(4) . . . . ?
C79 C78 P4 C70 -13.1(3) . . . . ?
C79 C78 P4 C71 -121.3(3) . . . . ?
C79 C78 P4 Pd4 100.0(3) . . . . ?
C79 C80 C81 C82 0.5(6) . . . . ?
C80 C81 C82 C83 0.4(7) . . . . ?
C81 C82 C83 C78 -1.3(6) . . . . ?
C81 C82 C83 C84 179.1(4) . . . . ?
C83 C78 C79 C80 -0.4(6) . . . . ?
C83 C78 P4 C70 175.6(3) . . . . ?
C83 C78 P4 C71 67.4(3) . . . . ?
C83 C78 P4 Pd4 -71.2(3) . . . . ?
P1 C8 C9 C10 172.7(4) . . . . ?
P1 C8 C13 C12 -173.8(3) . . . . ?
P1 C8 C13 C14 6.4(6) . . . . ?
P1 C15 C16 C17 -173.6(4) . . . . ?
P1 C15 C20 C19 172.6(3) . . . . ?
P1 C15 C20 C21 -10.2(6) . . . . ?
P2 C29 C30 C31 -179.7(3) . . . . ?
P2 C29 C34 C33 -179.9(3) . . . . ?
P2 C29 C34 C35 -0.3(5) . . . . ?
P2 C36 C37 C38 -176.7(3) . . . . ?
P2 C36 C41 C40 178.8(3) . . . . ?
P2 C36 C41 C42 -0.1(5) . . . . ?
P3 C50 C51 C52 -177.1(3) . . . . ?
P3 C50 C55 C54 178.0(3) . . . . ?
P3 C50 C55 C56 -2.6(5) . . . . ?
P3 C57 C58 C59 -179.1(3) . . . . ?
P3 C57 C62 C61 179.8(3) . . . . ?
P3 C57 C62 C63 -0.7(5) . . . . ?
P4 C71 C72 C73 173.4(3) . . . . ?
P4 C71 C76 C75 -174.6(3) . . . . ?
P4 C71 C76 C77 4.3(5) . . . . ?
P4 C78 C79 C80 -171.8(3) . . . . ?
P4 C78 C83 C82 172.4(3) . . . . ?
P4 C78 C83 C84 -8.0(5) . . . . ?
Pd1 C1 C2 C3 169.6(3) . . . . ?
Pd1 C1 C2 C7 -9.5(5) . . . . ?
Pd2 C22 C23 C24 141.9(3) . . . . ?
Pd2 C22 C23 C28 -36.0(4) . . . . ?
Pd3 C43 C44 C45 -150.1(3) . . . . ?
Pd3 C43 C44 C49 29.2(4) . . . . ?
Pd4 C64 C65 C66 -158.2(3) . . . . ?
Pd4 C64 C65 C70 20.2(5) . . . . ?

_olex2_date_sample_data_collection 2021-01-28
_olex2_date_sample_submission    2021-01-25
_olex2_exptl_crystal_mounting_method 'oil on 75 micrometre micromount'
_olex2_submission_original_sample_id DRH-01-131
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.275
_oxdiff_exptl_absorpt_empirical_full_min 0.603
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ijsf22044
_database_code_depnum_ccdc_archive 'CCDC 2288580'
loop_
_audit_author_name
_audit_author_address
'Adrian Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2024-09-26 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2024-09-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C84 H80 Cl2 O P4 Pd4, 1.435(C H2 Cl2), 0.295(C5 H12)'
_chemical_formula_sum            'C86.91 H86.40 Cl4.87 O P4 Pd4'
_chemical_formula_weight         1869.00
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C87.5 H87 Cl5.2 O1 P4 Pd4'
_chemical_oxdiff_usercomment     'David Husbands DRH-03-75'
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.9903(2)
_cell_length_b                   15.1118(2)
_cell_length_c                   19.6632(3)
_cell_angle_alpha                82.3154(14)
_cell_angle_beta                 83.1540(13)
_cell_angle_gamma                82.3315(13)
_cell_volume                     4061.19(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    29947
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      76.6730
_cell_measurement_theta_min      3.9330
_shelx_estimated_absorpt_T_max   0.762
_shelx_estimated_absorpt_T_min   0.327
_exptl_absorpt_coefficient_mu    9.597
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.136a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       sphere
_exptl_crystal_F_000             1885
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 1 -1 0.0712
-1 -1 1 0.0462
1 0 -1 0.0467
1 -1 -1 0.0238
-1 1 1 0.0153
1 1 2 0.0041
-1 -1 -2 0.0075
1 0 1 0.0323

_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_size_rad          0.024
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0000 1.0000 -1.0000 0.0526 0.1642 -0.0290
-1.0000 -1.0000 1.0000 -0.0526 -0.1642 0.0290
1.0000 0.0000 -1.0001 0.0530 0.1175 0.0634
1.0000 -0.9999 -1.0002 0.0533 0.0708 0.1559
-1.0000 0.9999 1.0002 -0.0533 -0.0708 -0.1559
1.0000 1.0000 2.0000 -0.1721 0.0847 -0.0363
-1.0000 -1.0000 -2.0000 0.1721 -0.0847 0.0363
1.0000 0.0000 0.9999 -0.0968 0.0645 0.0586

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50180
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.075
_diffrn_reflns_theta_max         67.075
_diffrn_reflns_theta_min         3.523
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00 -21.00   0.50    5.15    --  -48.95 130.00-124.00  126
  2  ω   -119.00 -94.00   0.50    5.15    --  -48.95-130.00 163.00   50
  3  ω   -108.00 -65.00   0.50    5.15    --  -48.95-139.00 -10.00   86
  4  ω    -96.00 -70.00   0.50    5.15    --  -48.95 139.00  49.00   52
  5  ω     38.00  98.00   0.50    5.15    --   48.95-130.00 163.00  120
  6  ω     42.00 100.00   0.50    5.15    --   48.95-139.00 -10.00  116
  7  ω    128.00 160.00   0.50   20.60    --  107.75 139.00  49.00   64
  8  ω     76.00 102.00   0.50   20.60    --  107.75-130.00 163.00   52
  9  ω    119.00 145.00   0.50   20.60    --  107.75 130.00-124.00   52
 10  ω     83.00 113.00   0.50   20.60    --  107.75-139.00 -10.00   60
 11  ω    -61.00 -35.00   0.50    5.15    --  -48.95  37.00-180.00   52
 12  ω   -116.00 -26.00   0.50    5.15    --  -48.95 -77.00-150.00  180
 13  ω   -101.00 -76.00   0.50    5.15    --  -48.95 -77.00  90.00   50
 14  ω   -119.00 -74.00   0.50    5.15    --  -48.95-125.00-150.00   90
 15  ω   -118.00 -87.00   0.50    5.15    --  -48.95-125.00-180.00   62
 16  ω    -28.00  24.00   0.50    5.15    --  -48.95  37.00-180.00  104
 17  ω   -116.00 -83.00   0.50    5.15    --  -48.95-125.00  30.00   66
 18  ω    -20.00  58.00   0.50    5.15    --   48.95 -57.00 150.00  156
 19  ω     37.00 122.00   0.50   20.60    --  107.75 -57.00 -60.00  170
 20  ω     80.00 130.00   0.50   20.60    --  107.75 -77.00 150.00  100
 21  ω     38.00 106.00   0.50   20.60    --  107.75 -99.00 150.00  136
 22  ω    114.00 174.00   0.50   20.60    --  107.75 125.00-180.00  120
 23  ω     38.00  66.00   0.50   20.60    --  107.75-125.00   0.00   56
 24  ω     80.00 112.00   0.50   20.60    --  107.75-125.00   0.00   64
 25  ω     40.00 119.00   0.50   20.60    --  107.75 -37.00 120.00  158
 26  ω     35.00  61.00   0.50   20.60    --  107.75 -77.00 150.00   52
 27  ω     71.00 106.00   0.50   20.60    --  107.75 -99.00-150.00   70
 28  ω    102.00 177.00   0.50   20.60    --  107.75  37.00-120.00  150
 29  ω     40.00 105.00   0.50   20.60    --  107.75 -99.00  90.00  130
 30  ω     98.00 178.00   0.50   20.60    --  107.75  37.00 -90.00  160
 31  ω     33.00 119.00   0.50   20.60    --  107.75 -19.00  90.00  172
 32  ω     37.00 101.00   0.50   20.60    --  107.75 -99.00 -30.00  128
 33  ω     91.00 126.00   0.50   20.60    --  107.75-144.00  94.56   70
 34  ω    130.00 178.00   0.50   20.60    --  107.75  19.00 -60.00   96
 35  ω     41.00 110.00   0.50   20.60    --  107.75 -37.00 -60.00  138
 36  ω    113.00 139.00   0.50   20.60    --  107.75 125.00  90.00   52
 37  ω    125.00 167.00   0.50   20.60    --  107.75  19.00   0.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0219357000
_diffrn_orient_matrix_UB_12      -0.0003585000
_diffrn_orient_matrix_UB_13      -0.0748955000
_diffrn_orient_matrix_UB_21      0.0909737000
_diffrn_orient_matrix_UB_22      0.0467263000
_diffrn_orient_matrix_UB_23      -0.0264972000
_diffrn_orient_matrix_UB_31      0.0609991000
_diffrn_orient_matrix_UB_32      -0.0924744000
_diffrn_orient_matrix_UB_33      -0.0024361000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12849
_reflns_number_total             14483
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.136a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 42.70a 64-bit (release 22-09-2022))'
_computing_data_reduction        'CrysAlisPro 1.171.43.136a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.120
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     952
_refine_ls_number_reflns         14483
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0537P)²+1.8381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0847
_refine_ls_wR_factor_ref         0.0874
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C91-C90 = C90-C89 = C88-C89 = C88-C87
 1.53 with sigma of 0.02
 C21A-C20A
 1.54 with sigma of 0.02
 C88-C90 = C89-C91
 2.48 with sigma of 0.04
 C87-C89
 2.48 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C90) \\sim Ueq, Uanis(C91) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C18) = Uanis(C18A)
Uanis(C19) = Uanis(C19A)
Uanis(C61) = Uanis(C20) = Uanis(C20A)
Uanis(C17A) = Uanis(C17)
Uanis(C21) = Uanis(C21A)
Uanis(C16A) = Uanis(C16)
Uanis(Cl6) = Uanis(C89)
Uanis(C86) = Uanis(C88)
Uanis(Cl5) = Uanis(C87)
Uanis(C89) = Uanis(Cl6)
4. Others
 Sof(C16A)=Sof(H16A)=Sof(C17A)=Sof(H17A)=Sof(C18A)=Sof(H18A)=Sof(C19A)=
 Sof(H19A)=Sof(C20A)=Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=1-FVAR(1)
 Sof(C16)=Sof(H16)=Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18)=Sof(C19)=Sof(H19)=
 Sof(C20)=Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(1)
 Sof(C86)=Sof(H86A)=Sof(H86B)=Sof(Cl5)=Sof(Cl6)=FVAR(2)
 Sof(C87)=Sof(H87A)=Sof(H87B)=Sof(H87C)=Sof(C88)=Sof(H88A)=Sof(H88B)=Sof(C89)=
 Sof(H89A)=Sof(H89B)=Sof(C90)=Sof(H90A)=Sof(H90B)=Sof(C91)=Sof(H91A)=Sof(H91B)=
 Sof(H91C)=FVAR(3)
 Sof(C85)=Sof(H85A)=Sof(H85B)=Sof(Cl3)=Sof(Cl4)=FVAR(4)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C22(H22A,H22B), C43(H43A,H43B), C64(H64A,H64B), C86(H86A,H86B),
 C85(H85A,H85B), C88(H88A,H88B), C89(H89A,H89B), C90(H90A,H90B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A), C16(H16), C17(H17), C18(H18),
 C19(H19), C24(H24), C25(H25), C26(H26), C27(H27), C30(H30), C31(H31), C32(H32),
  C33(H33), C37(H37), C38(H38), C39(H39), C40(H40), C45(H45), C46(H46),
 C47(H47), C48(H48), C51(H51), C52(H52), C53(H53), C54(H54), C58(H58), C59(H59),
  C60(H60), C61(H61), C66(H66), C67(H67), C68(H68), C69(H69), C72(H72),
 C73(H73), C74(H74), C75(H75), C79(H79), C80(H80), C81(H81), C82(H82)
5.c Fitted hexagon refined as free rotating group:
 C15(C16A,C17A,C18A,C19A,C20A)
5.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C21A(H21D,H21E,H21F), C35(H35A,H35B,
 H35C), C42(H42A,H42B,H42C), C56(H56A,H56B,H56C), C63(H63A,H63B,H63C), C77(H77A,
 H77B,H77C), C84(H84A,H84B,H84C), C87(H87A,H87B,H87C), C91(H91A,H91B,H91C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2664(2) 0.9036(2) 0.69848(17) 0.0295(7) Uani 1 1 d . . . . .
H1A H 0.214941 0.885303 0.674734 0.035 Uiso 1 1 calc R U . . .
H1B H 0.234324 0.937703 0.736244 0.035 Uiso 1 1 calc R U . . .
C2 C 0.3248(2) 0.9643(2) 0.64815(17) 0.0279(6) Uani 1 1 d . . . . .
C3 C 0.2865(3) 1.0235(2) 0.59463(19) 0.0355(7) Uani 1 1 d . . . . .
H3 H 0.219122 1.028645 0.589798 0.043 Uiso 1 1 calc R U . . .
C4 C 0.3462(3) 1.0749(2) 0.54839(18) 0.0371(8) Uani 1 1 d . . . . .
H4 H 0.319270 1.114177 0.511780 0.044 Uiso 1 1 calc R U . . .
C5 C 0.4440(3) 1.0697(2) 0.55489(17) 0.0347(8) Uani 1 1 d . . . . .
H5 H 0.484147 1.104698 0.522606 0.042 Uiso 1 1 calc R U . . .
C6 C 0.4835(3) 1.0132(2) 0.60887(17) 0.0311(7) Uani 1 1 d . . . . .
H6 H 0.550584 1.009618 0.614204 0.037 Uiso 1 1 calc R U . . .
C7 C 0.4234(2) 0.9618(2) 0.65491(16) 0.0265(6) Uani 1 1 d . . . . .
C8 C 0.5838(2) 0.8425(2) 0.71123(17) 0.0294(7) Uani 1 1 d . . . . .
C9 C 0.6529(3) 0.8589(3) 0.75242(19) 0.0410(8) Uani 1 1 d . . . . .
H9 H 0.633102 0.891535 0.790774 0.049 Uiso 1 1 calc R U . . .
C10 C 0.7498(3) 0.8279(3) 0.7378(2) 0.0506(11) Uani 1 1 d . . . . .
H10 H 0.795749 0.838516 0.766749 0.061 Uiso 1 1 calc R U . . .
C11 C 0.7802(3) 0.7819(3) 0.6820(2) 0.0518(11) Uani 1 1 d . . . . .
H11 H 0.847059 0.762290 0.671393 0.062 Uiso 1 1 calc R U . . .
C12 C 0.7121(3) 0.7643(3) 0.6410(2) 0.0433(9) Uani 1 1 d . . . . .
H12 H 0.733208 0.732425 0.602394 0.052 Uiso 1 1 calc R U . . .
C13 C 0.6136(2) 0.7923(2) 0.65536(18) 0.0325(7) Uani 1 1 d . . . . .
C14 C 0.5431(3) 0.7653(2) 0.61221(19) 0.0356(7) Uani 1 1 d . . . . .
H14A H 0.504071 0.721888 0.640207 0.053 Uiso 1 1 calc R U . . .
H14B H 0.578893 0.737880 0.572821 0.053 Uiso 1 1 calc R U . . .
H14C H 0.500520 0.818627 0.595452 0.053 Uiso 1 1 calc R U . . .
C15 C 0.4537(3) 0.9615(3) 0.79591(19) 0.0419(8) Uani 1 1 d G . . . .
C16A C 0.4946(10) 1.0395(6) 0.7696(5) 0.063(2) Uani 0.276(10) 1 d G . P A 2
H16A H 0.515426 1.050231 0.721792 0.075 Uiso 0.276(10) 1 calc R U P A 2
C17A C 0.5049(16) 1.1019(7) 0.8133(8) 0.078(3) Uani 0.276(10) 1 d G . P A 2
H17A H 0.532823 1.155304 0.795377 0.093 Uiso 0.276(10) 1 calc R U P A 2
C18A C 0.4744(16) 1.0863(10) 0.8833(8) 0.068(2) Uani 0.276(10) 1 d G . P A 2
H18A H 0.481457 1.128945 0.913204 0.081 Uiso 0.276(10) 1 calc R U P A 2
C19A C 0.4335(15) 1.0082(12) 0.9096(4) 0.0536(14) Uani 0.276(10) 1 d G . P A 2
H19A H 0.412691 0.997514 0.957447 0.064 Uiso 0.276(10) 1 calc R U P A 2
C20A C 0.4232(10) 0.9458(8) 0.8659(2) 0.0387(7) Uani 0.276(10) 1 d DG . P A 2
C16 C 0.4473(7) 1.0568(4) 0.7754(4) 0.063(2) Uani 0.724(10) 1 d . . P A 1
H16 H 0.447643 1.079337 0.727954 0.075 Uiso 0.724(10) 1 calc R U P A 1
C17 C 0.4405(9) 1.1159(5) 0.8240(4) 0.078(3) Uani 0.724(10) 1 d . . P A 1
H17 H 0.435876 1.178880 0.810004 0.093 Uiso 0.724(10) 1 calc R U P A 1
C18 C 0.4406(8) 1.0834(6) 0.8928(4) 0.068(2) Uani 0.724(10) 1 d . . P A 1
H18 H 0.440569 1.123901 0.925811 0.081 Uiso 0.724(10) 1 calc R U P A 1
C19 C 0.4406(7) 0.9932(6) 0.9141(3) 0.0536(14) Uani 0.724(10) 1 d . . P A 1
H19 H 0.435545 0.972320 0.962025 0.064 Uiso 0.724(10) 1 calc R U P A 1
C20 C 0.4480(4) 0.9313(4) 0.8659(3) 0.0387(7) Uani 0.724(10) 1 d . . P A 1
C21 C 0.4459(8) 0.8342(6) 0.8932(3) 0.070(3) Uani 0.724(10) 1 d . . P A 1
H21A H 0.382880 0.816089 0.887614 0.106 Uiso 0.724(10) 1 calc R U P A 1
H21B H 0.456043 0.825428 0.942209 0.106 Uiso 0.724(10) 1 calc R U P A 1
H21C H 0.497440 0.797601 0.867615 0.106 Uiso 0.724(10) 1 calc R U P A 1
C21A C 0.393(2) 0.8573(14) 0.8835(11) 0.070(3) Uani 0.276(10) 1 d D . P A 2
H21D H 0.448170 0.811951 0.873450 0.106 Uiso 0.276(10) 1 calc R U P A 2
H21E H 0.340624 0.851254 0.856194 0.106 Uiso 0.276(10) 1 calc R U P A 2
H21F H 0.370154 0.848520 0.932677 0.106 Uiso 0.276(10) 1 calc R U P A 2
C22 C 0.1688(2) 0.5313(2) 0.76726(19) 0.0338(7) Uani 1 1 d . . . . .
H22A H 0.115370 0.580481 0.773283 0.041 Uiso 1 1 calc R U . . .
H22B H 0.169723 0.514202 0.720286 0.041 Uiso 1 1 calc R U . . .
C23 C 0.1482(3) 0.4518(2) 0.81900(19) 0.0337(7) Uani 1 1 d . . . . .
C24 C 0.0558(3) 0.4341(3) 0.8471(2) 0.0445(9) Uani 1 1 d . . . . .
H24 H 0.000926 0.474242 0.834093 0.053 Uiso 1 1 calc R U . . .
C25 C 0.0428(3) 0.3582(3) 0.8940(2) 0.0492(10) Uani 1 1 d . . . . .
H25 H -0.020631 0.346953 0.913168 0.059 Uiso 1 1 calc R U . . .
C26 C 0.1223(3) 0.2987(3) 0.9129(2) 0.0448(9) Uani 1 1 d . . . . .
H26 H 0.112863 0.246347 0.944343 0.054 Uiso 1 1 calc R U . . .
C27 C 0.2145(3) 0.3151(2) 0.88662(19) 0.0373(8) Uani 1 1 d . . . . .
H27 H 0.268814 0.274397 0.899766 0.045 Uiso 1 1 calc R U . . .
C28 C 0.2276(3) 0.3919(2) 0.84044(18) 0.0319(7) Uani 1 1 d . . . . .
C29 C 0.4181(3) 0.3978(2) 0.87773(19) 0.0347(7) Uani 1 1 d . . . . .
C30 C 0.4973(3) 0.3328(2) 0.8701(2) 0.0418(8) Uani 1 1 d . . . . .
H30 H 0.512751 0.307693 0.827776 0.050 Uiso 1 1 calc R U . . .
C31 C 0.5543(3) 0.3041(3) 0.9239(2) 0.0530(10) Uani 1 1 d . . . . .
H31 H 0.608680 0.259848 0.918393 0.064 Uiso 1 1 calc R U . . .
C32 C 0.5316(3) 0.3402(3) 0.9853(2) 0.0533(10) Uani 1 1 d . . . . .
H32 H 0.571056 0.321186 1.021960 0.064 Uiso 1 1 calc R U . . .
C33 C 0.4519(3) 0.4039(3) 0.9941(2) 0.0456(9) Uani 1 1 d . . . . .
H33 H 0.436327 0.427690 1.036948 0.055 Uiso 1 1 calc R U . . .
C34 C 0.3941(3) 0.4336(2) 0.94045(19) 0.0388(8) Uani 1 1 d . . . . .
C35 C 0.3098(4) 0.5039(3) 0.9532(2) 0.0510(10) Uani 1 1 d . . . . .
H35A H 0.314813 0.555771 0.917803 0.077 Uiso 1 1 calc R U . . .
H35B H 0.310349 0.523019 0.998832 0.077 Uiso 1 1 calc R U . . .
H35C H 0.249200 0.478902 0.951261 0.077 Uiso 1 1 calc R U . . .
C36 C 0.3928(3) 0.3691(2) 0.73650(18) 0.0334(7) Uani 1 1 d . . . . .
C37 C 0.3405(3) 0.3052(3) 0.7176(2) 0.0444(9) Uani 1 1 d . . . . .
H37 H 0.280799 0.293323 0.743437 0.053 Uiso 1 1 calc R U . . .
C38 C 0.3748(4) 0.2593(3) 0.6619(2) 0.0553(11) Uani 1 1 d . . . . .
H38 H 0.338896 0.215570 0.649955 0.066 Uiso 1 1 calc R U . . .
C39 C 0.4609(4) 0.2764(3) 0.6233(2) 0.0540(11) Uani 1 1 d . . . . .
H39 H 0.484290 0.244924 0.584828 0.065 Uiso 1 1 calc R U . . .
C40 C 0.5125(3) 0.3399(3) 0.6414(2) 0.0485(10) Uani 1 1 d . . . . .
H40 H 0.571994 0.351112 0.615031 0.058 Uiso 1 1 calc R U . . .
C41 C 0.4798(3) 0.3881(2) 0.6973(2) 0.0398(8) Uani 1 1 d . . . . .
C42 C 0.5389(3) 0.4578(3) 0.7127(2) 0.0493(10) Uani 1 1 d . . . . .
H42A H 0.607188 0.441793 0.696288 0.074 Uiso 1 1 calc R U . . .
H42B H 0.532692 0.460353 0.762604 0.074 Uiso 1 1 calc R U . . .
H42C H 0.515400 0.516672 0.689291 0.074 Uiso 1 1 calc R U . . .
C43 C 0.3212(2) 0.6611(2) 0.60143(17) 0.0319(7) Uani 1 1 d . . . . .
H43A H 0.361741 0.709127 0.581826 0.038 Uiso 1 1 calc R U . . .
H43B H 0.354545 0.623531 0.638814 0.038 Uiso 1 1 calc R U . . .
C44 C 0.3124(2) 0.6040(2) 0.54622(17) 0.0302(7) Uani 1 1 d . . . . .
C45 C 0.3732(3) 0.5251(2) 0.5356(2) 0.0394(8) Uani 1 1 d . . . . .
H45 H 0.423169 0.504620 0.564653 0.047 Uiso 1 1 calc R U . . .
C46 C 0.3615(3) 0.4763(3) 0.4829(2) 0.0478(10) Uani 1 1 d . . . . .
H46 H 0.402381 0.421851 0.476830 0.057 Uiso 1 1 calc R U . . .
C47 C 0.2904(3) 0.5064(3) 0.4392(2) 0.0422(9) Uani 1 1 d . . . . .
H47 H 0.284018 0.473707 0.402258 0.051 Uiso 1 1 calc R U . . .
C48 C 0.2286(3) 0.5840(2) 0.44914(18) 0.0355(7) Uani 1 1 d . . . . .
H48 H 0.179621 0.604602 0.419263 0.043 Uiso 1 1 calc R U . . .
C49 C 0.2386(2) 0.6316(2) 0.50295(17) 0.0293(7) Uani 1 1 d . . . . .
C50 C 0.0390(2) 0.7114(2) 0.51118(17) 0.0302(7) Uani 1 1 d . . . . .
C51 C -0.0071(3) 0.7729(2) 0.46219(18) 0.0355(7) Uani 1 1 d . . . . .
H51 H 0.023527 0.823606 0.441017 0.043 Uiso 1 1 calc R U . . .
C52 C -0.0972(3) 0.7609(3) 0.4442(2) 0.0425(9) Uani 1 1 d . . . . .
H52 H -0.128687 0.803542 0.411560 0.051 Uiso 1 1 calc R U . . .
C53 C -0.1403(3) 0.6862(3) 0.4741(2) 0.0469(9) Uani 1 1 d . . . . .
H53 H -0.201174 0.676547 0.461353 0.056 Uiso 1 1 calc R U . . .
C54 C -0.0950(3) 0.6253(3) 0.5229(2) 0.0447(9) Uani 1 1 d . . . . .
H54 H -0.125611 0.574232 0.543117 0.054 Uiso 1 1 calc R U . . .
C55 C -0.0059(3) 0.6368(2) 0.54287(18) 0.0348(7) Uani 1 1 d . . . . .
C56 C 0.0376(3) 0.5692(3) 0.5970(2) 0.0424(8) Uani 1 1 d . . . . .
H56A H 0.100602 0.541236 0.577951 0.064 Uiso 1 1 calc R U . . .
H56B H -0.005717 0.522823 0.611984 0.064 Uiso 1 1 calc R U . . .
H56C H 0.046392 0.599308 0.636628 0.064 Uiso 1 1 calc R U . . .
C57 C 0.1921(2) 0.8256(2) 0.47657(17) 0.0301(7) Uani 1 1 d . . . . .
C58 C 0.2601(3) 0.8157(3) 0.4196(2) 0.0406(8) Uani 1 1 d . . . . .
H58 H 0.287151 0.757019 0.410086 0.049 Uiso 1 1 calc R U . . .
C59 C 0.2889(3) 0.8894(3) 0.3768(2) 0.0514(10) Uani 1 1 d . . . . .
H59 H 0.335544 0.881263 0.338128 0.062 Uiso 1 1 calc R U . . .
C60 C 0.2501(3) 0.9747(3) 0.3900(2) 0.0455(9) Uani 1 1 d . . . . .
H60 H 0.269994 1.025698 0.360751 0.055 Uiso 1 1 calc R U . . .
C61 C 0.1821(3) 0.9859(3) 0.4461(2) 0.0387(7) Uani 1 1 d . . . . .
H61 H 0.154874 1.045025 0.454363 0.046 Uiso 1 1 calc R U . . .
C62 C 0.1521(2) 0.9130(2) 0.49112(18) 0.0314(7) Uani 1 1 d . . . . .
C63 C 0.0796(3) 0.9287(2) 0.55228(18) 0.0353(7) Uani 1 1 d . . . . .
H63A H 0.110591 0.909195 0.594809 0.053 Uiso 1 1 calc R U . . .
H63B H 0.025136 0.894320 0.551740 0.053 Uiso 1 1 calc R U . . .
H63C H 0.055818 0.992918 0.550232 0.053 Uiso 1 1 calc R U . . .
C64 C 0.1908(3) 0.7240(3) 0.88679(18) 0.0373(8) Uani 1 1 d . . . . .
H64A H 0.187057 0.658600 0.898201 0.045 Uiso 1 1 calc R U . . .
H64B H 0.260139 0.731860 0.874762 0.045 Uiso 1 1 calc R U . . .
C65 C 0.1561(2) 0.7678(2) 0.95115(18) 0.0327(7) Uani 1 1 d . . . . .
C66 C 0.2023(3) 0.7465(3) 1.01099(18) 0.0388(8) Uani 1 1 d . . . . .
H66 H 0.259630 0.704937 1.011262 0.047 Uiso 1 1 calc R U . . .
C67 C 0.1656(3) 0.7852(3) 1.07050(19) 0.0432(9) Uani 1 1 d . . . . .
H67 H 0.198270 0.770577 1.110939 0.052 Uiso 1 1 calc R U . . .
C68 C 0.0808(3) 0.8455(2) 1.07086(18) 0.0377(8) Uani 1 1 d . . . . .
H68 H 0.055139 0.871048 1.111782 0.045 Uiso 1 1 calc R U . . .
C69 C 0.0343(3) 0.8680(2) 1.01204(17) 0.0328(7) Uani 1 1 d . . . . .
H69 H -0.023307 0.909063 1.012023 0.039 Uiso 1 1 calc R U . . .
C70 C 0.0728(2) 0.8297(2) 0.95234(16) 0.0289(7) Uani 1 1 d . . . . .
C71 C 0.0519(3) 0.9688(2) 0.83635(18) 0.0335(7) Uani 1 1 d . . . . .
C72 C 0.1258(3) 1.0015(2) 0.8658(2) 0.0398(8) Uani 1 1 d . . . . .
H72 H 0.151308 0.968011 0.905418 0.048 Uiso 1 1 calc R U . . .
C73 C 0.1615(3) 1.0806(3) 0.8383(2) 0.0513(10) Uani 1 1 d . . . . .
H73 H 0.211313 1.101382 0.858662 0.062 Uiso 1 1 calc R U . . .
C74 C 0.1246(4) 1.1290(3) 0.7815(2) 0.0553(11) Uani 1 1 d . . . . .
H74 H 0.148755 1.183863 0.762680 0.066 Uiso 1 1 calc R U . . .
C75 C 0.0523(3) 1.0992(3) 0.7509(2) 0.0492(10) Uani 1 1 d . . . . .
H75 H 0.027615 1.133825 0.711455 0.059 Uiso 1 1 calc R U . . .
C76 C 0.0151(3) 1.0176(2) 0.77792(19) 0.0392(8) Uani 1 1 d . . . . .
C77 C -0.0614(3) 0.9888(3) 0.7417(2) 0.0464(9) Uani 1 1 d . . . . .
H77A H -0.125561 1.010175 0.763436 0.070 Uiso 1 1 calc R U . . .
H77B H -0.053989 0.923010 0.744833 0.070 Uiso 1 1 calc R U . . .
H77C H -0.054891 1.014305 0.693110 0.070 Uiso 1 1 calc R U . . .
C78 C -0.1043(2) 0.8531(2) 0.89140(17) 0.0339(7) Uani 1 1 d . . . . .
C79 C -0.1633(3) 0.9330(3) 0.9017(2) 0.0486(10) Uani 1 1 d . . . . .
H79 H -0.135725 0.988116 0.894031 0.058 Uiso 1 1 calc R U . . .
C80 C -0.2609(3) 0.9337(4) 0.9227(3) 0.0639(13) Uani 1 1 d . . . . .
H80 H -0.300600 0.988841 0.928645 0.077 Uiso 1 1 calc R U . . .
C81 C -0.3001(3) 0.8543(4) 0.9350(2) 0.0601(13) Uani 1 1 d . . . . .
H81 H -0.367123 0.854293 0.950296 0.072 Uiso 1 1 calc R U . . .
C82 C -0.2434(3) 0.7739(3) 0.9255(2) 0.0488(10) Uani 1 1 d . . . . .
H82 H -0.272134 0.719399 0.933956 0.059 Uiso 1 1 calc R U . . .
C83 C -0.1441(3) 0.7716(3) 0.90359(18) 0.0384(8) Uani 1 1 d . . . . .
C84 C -0.0848(3) 0.6826(3) 0.8945(2) 0.0523(10) Uani 1 1 d . . . . .
H84A H -0.126267 0.634302 0.906554 0.078 Uiso 1 1 calc R U . . .
H84B H -0.032441 0.672906 0.924642 0.078 Uiso 1 1 calc R U . . .
H84C H -0.056895 0.682622 0.846337 0.078 Uiso 1 1 calc R U . . .
Cl1 Cl 0.44063(6) 0.65136(5) 0.79049(4) 0.03288(17) Uani 1 1 d . . . . .
Cl2 Cl 0.03295(6) 0.77556(6) 0.69936(4) 0.03425(17) Uani 1 1 d . . . . .
O1 O 0.23777(15) 0.70728(13) 0.73995(10) 0.0240(4) Uani 1 1 d . . . . .
P1 P 0.45613(6) 0.88515(5) 0.72958(4) 0.02570(16) Uani 1 1 d . . . . .
P2 P 0.34117(6) 0.43400(5) 0.80723(4) 0.02843(17) Uani 1 1 d . . . . .
P3 P 0.15857(6) 0.72657(5) 0.53327(4) 0.02549(16) Uani 1 1 d . . . . .
P4 P 0.02628(6) 0.85331(5) 0.86878(4) 0.02636(16) Uani 1 1 d . . . . .
Pd1 Pd 0.34663(2) 0.79018(2) 0.74041(2) 0.02286(6) Uani 1 1 d . . . . .
Pd2 Pd 0.29689(2) 0.57832(2) 0.77483(2) 0.02409(6) Uani 1 1 d . . . . .
Pd3 Pd 0.19029(2) 0.71856(2) 0.64213(2) 0.02336(6) Uani 1 1 d . . . . .
Pd4 Pd 0.12155(2) 0.76645(2) 0.80118(2) 0.02344(6) Uani 1 1 d . . . . .
C86 C 0.9019(8) 0.3153(5) 0.7628(4) 0.065(2) Uani 0.591(5) 1 d . . P B 1
H86A H 0.936703 0.274222 0.797749 0.078 Uiso 0.591(5) 1 calc R U P B 1
H86B H 0.870971 0.368909 0.784430 0.078 Uiso 0.591(5) 1 calc R U P B 1
Cl5 Cl 0.9850(3) 0.34829(14) 0.69282(11) 0.0867(11) Uani 0.591(5) 1 d . . P B 1
Cl6 Cl 0.8143(3) 0.2620(2) 0.7363(2) 0.1037(13) Uani 0.591(5) 1 d . . P B 1
C85 C 0.7151(4) 0.5852(4) 0.7830(3) 0.0552(13) Uani 0.845(4) 1 d . . P . .
H85A H 0.724132 0.641346 0.800890 0.066 Uiso 0.845(4) 1 calc R U P . .
H85B H 0.656292 0.596961 0.758161 0.066 Uiso 0.845(4) 1 calc R U P . .
Cl3 Cl 0.81718(13) 0.55327(10) 0.72506(8) 0.0764(6) Uani 0.845(4) 1 d . . P . .
Cl4 Cl 0.69939(17) 0.50185(13) 0.85103(8) 0.0960(8) Uani 0.845(4) 1 d . . P . .
C87 C 0.9446(16) 0.3332(14) 0.7137(12) 0.0867(11) Uani 0.295(7) 1 d D . P C 2
H87A H 0.965094 0.299461 0.674230 0.130 Uiso 0.295(7) 1 calc R U P C 2
H87B H 0.980702 0.306113 0.752617 0.130 Uiso 0.295(7) 1 calc R U P C 2
H87C H 0.957606 0.395790 0.701101 0.130 Uiso 0.295(7) 1 calc R U P C 2
C88 C 0.8368(14) 0.3307(11) 0.7343(8) 0.065(2) Uani 0.295(7) 1 d D . P C 2
H88A H 0.817578 0.357492 0.777920 0.078 Uiso 0.295(7) 1 calc R U P C 2
H88B H 0.799546 0.366400 0.698111 0.078 Uiso 0.295(7) 1 calc R U P C 2
C89 C 0.8146(19) 0.2350(17) 0.744(3) 0.1037(13) Uani 0.295(7) 1 d D . P C 2
H89A H 0.833815 0.208990 0.699660 0.124 Uiso 0.295(7) 1 calc R U P C 2
H89B H 0.853551 0.199584 0.778963 0.124 Uiso 0.295(7) 1 calc R U P C 2
C90 C 0.7101(12) 0.2273(11) 0.7649(8) 0.065(5) Uani 0.295(7) 1 d D U P C 2
H90A H 0.673109 0.243706 0.724239 0.079 Uiso 0.295(7) 1 calc R U P C 2
H90B H 0.684957 0.269783 0.798904 0.079 Uiso 0.295(7) 1 calc R U P C 2
C91 C 0.6956(13) 0.1320(11) 0.7967(8) 0.070(5) Uani 0.295(7) 1 d D U P . .
H91A H 0.704683 0.092320 0.760273 0.105 Uiso 0.295(7) 1 calc R U P C 2
H91B H 0.629892 0.131321 0.820270 0.105 Uiso 0.295(7) 1 calc R U P C 2
H91C H 0.742987 0.110830 0.829968 0.105 Uiso 0.295(7) 1 calc R U P C 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
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.501(5) . ?
C1 Pd1 2.051(3) . ?
C2 C3 1.396(5) . ?
C2 C7 1.397(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.391(5) . ?
C7 P1 1.809(3) . ?
C8 C9 1.398(5) . ?
C8 C13 1.409(5) . ?
C8 P1 1.827(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.383(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.372(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.394(5) . ?
C13 C14 1.502(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16A 1.3900 . ?
C15 C20A 1.3900 . ?
C15 C16 1.437(8) . ?
C15 C20 1.386(7) . ?
C15 P1 1.848(4) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.3900 . ?
C17A H17A 0.9500 . ?
C17A C18A 1.3900 . ?
C18A H18A 0.9500 . ?
C18A C19A 1.3900 . ?
C19A H19A 0.9500 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.441(15) . ?
C16 H16 0.9500 . ?
C16 C17 1.380(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(10) . ?
C19 H19 0.9500 . ?
C19 C20 1.404(8) . ?
C20 C21 1.497(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.503(5) . ?
C22 Pd2 2.042(3) . ?
C23 C24 1.390(5) . ?
C23 C28 1.405(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.387(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.372(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.393(5) . ?
C28 P2 1.808(3) . ?
C29 C30 1.388(5) . ?
C29 C34 1.400(5) . ?
C29 P2 1.837(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.376(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.384(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.396(6) . ?
C34 C35 1.499(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.398(5) . ?
C36 C41 1.403(5) . ?
C36 P2 1.831(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.379(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.380(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.379(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.397(6) . ?
C41 C42 1.505(6) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.500(5) . ?
C43 Pd3 2.040(3) . ?
C44 C45 1.394(5) . ?
C44 C49 1.401(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.386(6) . ?
C46 H46 0.9500 . ?
C46 C47 1.383(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.382(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.386(5) . ?
C49 P3 1.820(3) . ?
C50 C51 1.399(5) . ?
C50 C55 1.400(5) . ?
C50 P3 1.828(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.390(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.380(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.386(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.389(5) . ?
C55 C56 1.499(5) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.391(5) . ?
C57 C62 1.415(5) . ?
C57 P3 1.822(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.379(6) . ?
C59 H59 0.9500 . ?
C59 C60 1.377(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.381(6) . ?
C61 H61 0.9500 . ?
C61 C62 1.396(5) . ?
C62 C63 1.501(5) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.506(5) . ?
C64 Pd4 2.029(3) . ?
C65 C66 1.390(5) . ?
C65 C70 1.394(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.391(5) . ?
C67 H67 0.9500 . ?
C67 C68 1.397(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.375(5) . ?
C69 H69 0.9500 . ?
C69 C70 1.396(5) . ?
C70 P4 1.813(3) . ?
C71 C72 1.415(6) . ?
C71 C76 1.393(5) . ?
C71 P4 1.843(3) . ?
C72 H72 0.9500 . ?
C72 C73 1.376(6) . ?
C73 H73 0.9500 . ?
C73 C74 1.367(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.388(7) . ?
C75 H75 0.9500 . ?
C75 C76 1.416(6) . ?
C76 C77 1.493(6) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C79 1.393(5) . ?
C78 C83 1.399(5) . ?
C78 P4 1.829(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.379(6) . ?
C80 H80 0.9500 . ?
C80 C81 1.366(8) . ?
C81 H81 0.9500 . ?
C81 C82 1.381(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.402(5) . ?
C83 C84 1.504(6) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
Cl1 Pd1 2.4738(7) . ?
Cl1 Pd2 2.4876(8) . ?
Cl2 Pd3 2.4529(8) . ?
Cl2 Pd4 2.4569(8) . ?
O1 Pd1 2.099(2) . ?
O1 Pd2 2.0736(19) . ?
O1 Pd3 2.087(2) . ?
O1 Pd4 2.080(2) . ?
P1 Pd1 2.2089(8) . ?
P2 Pd2 2.2155(8) . ?
P3 Pd3 2.2217(8) . ?
P4 Pd4 2.2008(8) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C86 Cl5 1.755(9) . ?
C86 Cl6 1.718(11) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 Cl3 1.774(5) . ?
C85 Cl4 1.725(6) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C87 C88 1.518(17) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C88 C89 1.503(18) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.488(19) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C91 1.522(16) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 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
H1A C1 H1B 107.7 . . ?
C2 C1 H1A 108.8 . . ?
C2 C1 H1B 108.8 . . ?
C2 C1 Pd1 113.9(2) . . ?
Pd1 C1 H1A 108.8 . . ?
Pd1 C1 H1B 108.8 . . ?
C3 C2 C1 123.9(3) . . ?
C3 C2 C7 117.7(3) . . ?
C7 C2 C1 118.4(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 120.9(3) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(3) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.5 . . ?
C7 C6 C5 119.0(3) . . ?
C7 C6 H6 120.5 . . ?
C2 C7 P1 110.3(2) . . ?
C6 C7 C2 122.1(3) . . ?
C6 C7 P1 127.6(3) . . ?
C9 C8 C13 119.3(3) . . ?
C9 C8 P1 120.6(3) . . ?
C13 C8 P1 120.1(3) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.7(4) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.3(4) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.5(4) . . ?
C13 C12 H12 119.2 . . ?
C8 C13 C14 122.6(3) . . ?
C12 C13 C8 118.6(3) . . ?
C12 C13 C14 118.8(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16A C15 C20A 120.0 . . ?
C16A C15 P1 112.1(4) . . ?
C20A C15 P1 127.7(4) . . ?
C16 C15 P1 119.2(4) . . ?
C20 C15 C16 117.9(4) . . ?
C20 C15 P1 122.5(4) . . ?
C15 C16A H16A 120.0 . . ?
C17A C16A C15 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C16A C17A C18A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C19A C18A C17A 120.0 . . ?
C19A C18A H18A 120.0 . . ?
C18A C19A H19A 120.0 . . ?
C20A C19A C18A 120.0 . . ?
C20A C19A H19A 120.0 . . ?
C15 C20A C21A 111.0(11) . . ?
C19A C20A C15 120.0 . . ?
C19A C20A C21A 128.7(10) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.7(6) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.8(7) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(6) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.7(6) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 C19 120.0(5) . . ?
C15 C20 C21 122.5(5) . . ?
C19 C20 C21 117.5(6) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20A C21A H21D 109.5 . . ?
C20A C21A H21E 109.5 . . ?
C20A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
H22A C22 H22B 107.6 . . ?
C23 C22 H22A 108.7 . . ?
C23 C22 H22B 108.7 . . ?
C23 C22 Pd2 114.0(2) . . ?
Pd2 C22 H22A 108.7 . . ?
Pd2 C22 H22B 108.7 . . ?
C24 C23 C22 124.2(3) . . ?
C24 C23 C28 118.1(3) . . ?
C28 C23 C22 117.7(3) . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.5(4) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(4) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.4(4) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.4(4) . . ?
C28 C27 H27 120.3 . . ?
C23 C28 P2 111.3(2) . . ?
C27 C28 C23 121.2(3) . . ?
C27 C28 P2 127.2(3) . . ?
C30 C29 C34 119.9(3) . . ?
C30 C29 P2 120.5(3) . . ?
C34 C29 P2 119.5(3) . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.4(4) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.7(4) . . ?
C32 C31 H31 120.1 . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.5(4) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 119.8 . . ?
C32 C33 C34 120.5(4) . . ?
C34 C33 H33 119.8 . . ?
C29 C34 C35 123.5(3) . . ?
C33 C34 C29 118.9(3) . . ?
C33 C34 C35 117.6(3) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C41 119.5(3) . . ?
C37 C36 P2 119.3(3) . . ?
C41 C36 P2 120.9(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.6(4) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.5(4) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.4 . . ?
C40 C39 C38 119.1(4) . . ?
C40 C39 H39 120.4 . . ?
C39 C40 H40 119.0 . . ?
C39 C40 C41 122.0(4) . . ?
C41 C40 H40 119.0 . . ?
C36 C41 C42 122.9(3) . . ?
C40 C41 C36 118.2(4) . . ?
C40 C41 C42 118.9(4) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
H43A C43 H43B 107.8 . . ?
C44 C43 H43A 109.0 . . ?
C44 C43 H43B 109.0 . . ?
C44 C43 Pd3 112.9(2) . . ?
Pd3 C43 H43A 109.0 . . ?
Pd3 C43 H43B 109.0 . . ?
C45 C44 C43 123.8(3) . . ?
C45 C44 C49 118.1(3) . . ?
C49 C44 C43 118.0(3) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 C44 120.6(4) . . ?
C46 C45 H45 119.7 . . ?
C45 C46 H46 119.9 . . ?
C47 C46 C45 120.3(3) . . ?
C47 C46 H46 119.9 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.1(3) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 120.2 . . ?
C47 C48 C49 119.7(4) . . ?
C49 C48 H48 120.2 . . ?
C44 C49 P3 110.6(2) . . ?
C48 C49 C44 121.1(3) . . ?
C48 C49 P3 128.1(3) . . ?
C51 C50 C55 119.9(3) . . ?
C51 C50 P3 120.4(3) . . ?
C55 C50 P3 119.6(3) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 C50 120.8(3) . . ?
C52 C51 H51 119.6 . . ?
C51 C52 H52 120.3 . . ?
C53 C52 C51 119.3(4) . . ?
C53 C52 H52 120.3 . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C54 120.0(3) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 119.1 . . ?
C53 C54 C55 121.8(4) . . ?
C55 C54 H54 119.1 . . ?
C50 C55 C56 123.1(3) . . ?
C54 C55 C50 118.2(3) . . ?
C54 C55 C56 118.8(3) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 119.5(3) . . ?
C58 C57 P3 119.8(3) . . ?
C62 C57 P3 120.7(3) . . ?
C57 C58 H58 119.4 . . ?
C59 C58 C57 121.2(4) . . ?
C59 C58 H58 119.4 . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.9(4) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 120.2 . . ?
C59 C60 C61 119.7(4) . . ?
C61 C60 H60 120.2 . . ?
C60 C61 H61 119.0 . . ?
C60 C61 C62 122.0(3) . . ?
C62 C61 H61 119.0 . . ?
C57 C62 C63 122.3(3) . . ?
C61 C62 C57 117.7(3) . . ?
C61 C62 C63 120.0(3) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
H64A C64 H64B 107.1 . . ?
C65 C64 H64A 107.7 . . ?
C65 C64 H64B 107.7 . . ?
C65 C64 Pd4 118.3(2) . . ?
Pd4 C64 H64A 107.7 . . ?
Pd4 C64 H64B 107.7 . . ?
C66 C65 C64 122.3(3) . . ?
C66 C65 C70 118.1(3) . . ?
C70 C65 C64 119.5(3) . . ?
C65 C66 H66 119.6 . . ?
C65 C66 C67 120.7(3) . . ?
C67 C66 H66 119.6 . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 120.1(3) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.1(3) . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 120.3 . . ?
C68 C69 C70 119.3(3) . . ?
C70 C69 H69 120.3 . . ?
C65 C70 C69 121.7(3) . . ?
C65 C70 P4 111.8(2) . . ?
C69 C70 P4 126.5(3) . . ?
C72 C71 P4 116.6(3) . . ?
C76 C71 C72 119.2(3) . . ?
C76 C71 P4 123.3(3) . . ?
C71 C72 H72 119.3 . . ?
C73 C72 C71 121.5(4) . . ?
C73 C72 H72 119.3 . . ?
C72 C73 H73 120.3 . . ?
C74 C73 C72 119.3(4) . . ?
C74 C73 H73 120.3 . . ?
C73 C74 H74 119.5 . . ?
C73 C74 C75 121.0(4) . . ?
C75 C74 H74 119.5 . . ?
C74 C75 H75 119.7 . . ?
C74 C75 C76 120.6(4) . . ?
C76 C75 H75 119.7 . . ?
C71 C76 C75 118.3(4) . . ?
C71 C76 C77 123.9(3) . . ?
C75 C76 C77 117.8(4) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C79 C78 C83 119.7(3) . . ?
C79 C78 P4 120.3(3) . . ?
C83 C78 P4 119.8(3) . . ?
C78 C79 H79 119.4 . . ?
C80 C79 C78 121.2(4) . . ?
C80 C79 H79 119.4 . . ?
C79 C80 H80 120.4 . . ?
C81 C80 C79 119.3(4) . . ?
C81 C80 H80 120.4 . . ?
C80 C81 H81 119.6 . . ?
C80 C81 C82 120.8(4) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 H82 119.6 . . ?
C81 C82 C83 120.9(4) . . ?
C83 C82 H82 119.6 . . ?
C78 C83 C82 118.1(4) . . ?
C78 C83 C84 122.7(3) . . ?
C82 C83 C84 119.2(4) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Pd1 Cl1 Pd2 84.34(2) . . ?
Pd3 Cl2 Pd4 84.67(2) . . ?
Pd2 O1 Pd1 105.94(9) . . ?
Pd2 O1 Pd3 113.65(9) . . ?
Pd2 O1 Pd4 117.41(9) . . ?
Pd3 O1 Pd1 110.92(9) . . ?
Pd4 O1 Pd1 103.46(9) . . ?
Pd4 O1 Pd3 105.02(9) . . ?
C7 P1 C8 106.57(15) . . ?
C7 P1 C15 102.59(16) . . ?
C7 P1 Pd1 102.31(11) . . ?
C8 P1 C15 105.20(17) . . ?
C8 P1 Pd1 118.68(11) . . ?
C15 P1 Pd1 119.53(13) . . ?
C28 P2 C29 103.50(16) . . ?
C28 P2 C36 106.37(16) . . ?
C28 P2 Pd2 103.18(11) . . ?
C29 P2 Pd2 121.38(11) . . ?
C36 P2 C29 106.34(16) . . ?
C36 P2 Pd2 114.50(11) . . ?
C49 P3 C50 104.53(15) . . ?
C49 P3 C57 105.99(15) . . ?
C49 P3 Pd3 102.23(11) . . ?
C50 P3 Pd3 121.79(11) . . ?
C57 P3 C50 104.72(15) . . ?
C57 P3 Pd3 115.95(11) . . ?
C70 P4 C71 105.06(16) . . ?
C70 P4 C78 102.45(15) . . ?
C70 P4 Pd4 105.91(11) . . ?
C71 P4 Pd4 105.37(10) . . ?
C78 P4 C71 109.18(16) . . ?
C78 P4 Pd4 126.98(12) . . ?
C1 Pd1 Cl1 178.72(10) . . ?
C1 Pd1 O1 94.04(11) . . ?
C1 Pd1 P1 80.84(10) . . ?
O1 Pd1 Cl1 84.70(6) . . ?
O1 Pd1 P1 173.49(6) . . ?
P1 Pd1 Cl1 100.41(3) . . ?
C22 Pd2 Cl1 172.93(10) . . ?
C22 Pd2 O1 90.01(11) . . ?
C22 Pd2 P2 81.82(9) . . ?
O1 Pd2 Cl1 84.87(6) . . ?
O1 Pd2 P2 171.64(6) . . ?
P2 Pd2 Cl1 103.42(3) . . ?
C43 Pd3 Cl2 174.67(10) . . ?
C43 Pd3 O1 91.92(11) . . ?
C43 Pd3 P3 81.28(10) . . ?
O1 Pd3 Cl2 84.82(6) . . ?
O1 Pd3 P3 173.03(6) . . ?
P3 Pd3 Cl2 102.08(3) . . ?
C64 Pd4 Cl2 164.85(12) . . ?
C64 Pd4 O1 90.59(11) . . ?
C64 Pd4 P4 84.16(10) . . ?
O1 Pd4 Cl2 84.87(6) . . ?
O1 Pd4 P4 164.86(6) . . ?
P4 Pd4 Cl2 103.64(3) . . ?
H86A C86 H86B 108.1 . . ?
Cl5 C86 H86A 109.5 . . ?
Cl5 C86 H86B 109.5 . . ?
Cl6 C86 H86A 109.5 . . ?
Cl6 C86 H86B 109.5 . . ?
Cl6 C86 Cl5 110.8(5) . . ?
H85A C85 H85B 108.0 . . ?
Cl3 C85 H85A 109.5 . . ?
Cl3 C85 H85B 109.5 . . ?
Cl4 C85 H85A 109.5 . . ?
Cl4 C85 H85B 109.5 . . ?
Cl4 C85 Cl3 110.9(3) . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C88 C87 H87A 109.5 . . ?
C88 C87 H87B 109.5 . . ?
C88 C87 H87C 109.5 . . ?
C87 C88 H88A 109.8 . . ?
C87 C88 H88B 109.8 . . ?
H88A C88 H88B 108.2 . . ?
C89 C88 C87 109.6(15) . . ?
C89 C88 H88A 109.8 . . ?
C89 C88 H88B 109.8 . . ?
C88 C89 H89A 109.1 . . ?
C88 C89 H89B 109.1 . . ?
H89A C89 H89B 107.8 . . ?
C90 C89 C88 112(2) . . ?
C90 C89 H89A 109.1 . . ?
C90 C89 H89B 109.1 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
C89 C90 C91 110.7(15) . . ?
H90A C90 H90B 108.1 . . ?
C91 C90 H90A 109.5 . . ?
C91 C90 H90B 109.5 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 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
C1 C2 C3 C4 -177.3(3) . . . . ?
C1 C2 C7 C6 177.4(3) . . . . ?
C1 C2 C7 P1 -2.8(4) . . . . ?
C2 C3 C4 C5 -1.0(5) . . . . ?
C2 C7 P1 C8 151.7(2) . . . . ?
C2 C7 P1 C15 -98.0(2) . . . . ?
C2 C7 P1 Pd1 26.4(2) . . . . ?
C3 C2 C7 C6 -2.6(5) . . . . ?
C3 C2 C7 P1 177.2(2) . . . . ?
C3 C4 C5 C6 -0.8(5) . . . . ?
C4 C5 C6 C7 0.8(5) . . . . ?
C5 C6 C7 C2 0.9(5) . . . . ?
C5 C6 C7 P1 -178.9(2) . . . . ?
C6 C7 P1 C8 -28.5(3) . . . . ?
C6 C7 P1 C15 81.8(3) . . . . ?
C6 C7 P1 Pd1 -153.7(3) . . . . ?
C7 C2 C3 C4 2.7(5) . . . . ?
C8 C9 C10 C11 1.2(6) . . . . ?
C9 C8 C13 C12 -3.0(5) . . . . ?
C9 C8 C13 C14 174.9(3) . . . . ?
C9 C8 P1 C7 118.0(3) . . . . ?
C9 C8 P1 C15 9.6(3) . . . . ?
C9 C8 P1 Pd1 -127.4(3) . . . . ?
C9 C10 C11 C12 -1.8(6) . . . . ?
C10 C11 C12 C13 0.0(6) . . . . ?
C11 C12 C13 C8 2.4(5) . . . . ?
C11 C12 C13 C14 -175.6(3) . . . . ?
C13 C8 C9 C10 1.3(5) . . . . ?
C13 C8 P1 C7 -62.2(3) . . . . ?
C13 C8 P1 C15 -170.7(3) . . . . ?
C13 C8 P1 Pd1 52.4(3) . . . . ?
C15 C16A C17A C18A 0.0 . . . . ?
C15 C16 C17 C18 0.4(14) . . . . ?
C16A C15 C20A C19A 0.0 . . . . ?
C16A C15 C20A C21A -173.7(14) . . . . ?
C16A C15 P1 C7 -41.5(7) . . . . ?
C16A C15 P1 C8 69.8(7) . . . . ?
C16A C15 P1 Pd1 -153.7(7) . . . . ?
C16A C17A C18A C19A 0.0 . . . . ?
C17A C18A C19A C20A 0.0 . . . . ?
C18A C19A C20A C15 0.0 . . . . ?
C18A C19A C20A C21A 172.5(18) . . . . ?
C20A C15 C16A C17A 0.0 . . . . ?
C20A C15 P1 C7 143.3(8) . . . . ?
C20A C15 P1 C8 -105.4(8) . . . . ?
C20A C15 P1 Pd1 31.1(8) . . . . ?
C16 C15 C20 C19 -2.8(8) . . . . ?
C16 C15 C20 C21 175.0(7) . . . . ?
C16 C15 P1 C7 -11.6(6) . . . . ?
C16 C15 P1 C8 99.7(5) . . . . ?
C16 C15 P1 Pd1 -123.8(5) . . . . ?
C16 C17 C18 C19 -4.5(15) . . . . ?
C17 C18 C19 C20 4.9(13) . . . . ?
C18 C19 C20 C15 -1.1(11) . . . . ?
C18 C19 C20 C21 -179.0(8) . . . . ?
C20 C15 C16 C17 3.2(11) . . . . ?
C20 C15 P1 C7 161.7(4) . . . . ?
C20 C15 P1 C8 -87.0(4) . . . . ?
C20 C15 P1 Pd1 49.5(4) . . . . ?
C22 C23 C24 C25 179.1(4) . . . . ?
C22 C23 C28 C27 -178.0(3) . . . . ?
C22 C23 C28 P2 7.4(4) . . . . ?
C23 C24 C25 C26 -0.5(6) . . . . ?
C23 C28 P2 C29 143.7(3) . . . . ?
C23 C28 P2 C36 -104.4(3) . . . . ?
C23 C28 P2 Pd2 16.4(3) . . . . ?
C24 C23 C28 C27 2.3(5) . . . . ?
C24 C23 C28 P2 -172.4(3) . . . . ?
C24 C25 C26 C27 1.2(6) . . . . ?
C25 C26 C27 C28 -0.2(6) . . . . ?
C26 C27 C28 C23 -1.6(5) . . . . ?
C26 C27 C28 P2 172.2(3) . . . . ?
C27 C28 P2 C29 -30.5(4) . . . . ?
C27 C28 P2 C36 81.3(3) . . . . ?
C27 C28 P2 Pd2 -157.8(3) . . . . ?
C28 C23 C24 C25 -1.2(6) . . . . ?
C29 C30 C31 C32 0.3(7) . . . . ?
C30 C29 C34 C33 1.0(6) . . . . ?
C30 C29 C34 C35 -180.0(4) . . . . ?
C30 C29 P2 C28 111.8(3) . . . . ?
C30 C29 P2 C36 0.0(3) . . . . ?
C30 C29 P2 Pd2 -133.3(3) . . . . ?
C30 C31 C32 C33 0.8(7) . . . . ?
C31 C32 C33 C34 -1.0(7) . . . . ?
C32 C33 C34 C29 0.1(6) . . . . ?
C32 C33 C34 C35 -179.0(4) . . . . ?
C34 C29 C30 C31 -1.2(6) . . . . ?
C34 C29 P2 C28 -65.7(3) . . . . ?
C34 C29 P2 C36 -177.6(3) . . . . ?
C34 C29 P2 Pd2 49.2(3) . . . . ?
C36 C37 C38 C39 -0.7(7) . . . . ?
C37 C36 C41 C40 -1.8(5) . . . . ?
C37 C36 C41 C42 178.1(4) . . . . ?
C37 C36 P2 C28 2.7(3) . . . . ?
C37 C36 P2 C29 112.6(3) . . . . ?
C37 C36 P2 Pd2 -110.6(3) . . . . ?
C37 C38 C39 C40 0.3(7) . . . . ?
C38 C39 C40 C41 -0.6(7) . . . . ?
C39 C40 C41 C36 1.3(6) . . . . ?
C39 C40 C41 C42 -178.5(4) . . . . ?
C41 C36 C37 C38 1.5(6) . . . . ?
C41 C36 P2 C28 177.1(3) . . . . ?
C41 C36 P2 C29 -73.0(3) . . . . ?
C41 C36 P2 Pd2 63.9(3) . . . . ?
C43 C44 C45 C46 -179.2(4) . . . . ?
C43 C44 C49 C48 177.4(3) . . . . ?
C43 C44 C49 P3 -7.7(4) . . . . ?
C44 C45 C46 C47 1.5(6) . . . . ?
C44 C49 P3 C50 -146.6(2) . . . . ?
C44 C49 P3 C57 103.0(2) . . . . ?
C44 C49 P3 Pd3 -18.8(2) . . . . ?
C45 C44 C49 C48 -2.7(5) . . . . ?
C45 C44 C49 P3 172.2(3) . . . . ?
C45 C46 C47 C48 -2.1(6) . . . . ?
C46 C47 C48 C49 0.3(5) . . . . ?
C47 C48 C49 C44 2.1(5) . . . . ?
C47 C48 C49 P3 -171.8(3) . . . . ?
C48 C49 P3 C50 27.8(3) . . . . ?
C48 C49 P3 C57 -82.5(3) . . . . ?
C48 C49 P3 Pd3 155.6(3) . . . . ?
C49 C44 C45 C46 0.9(5) . . . . ?
C50 C51 C52 C53 -1.3(6) . . . . ?
C51 C50 C55 C54 1.7(5) . . . . ?
C51 C50 C55 C56 -178.4(3) . . . . ?
C51 C50 P3 C49 -114.2(3) . . . . ?
C51 C50 P3 C57 -2.9(3) . . . . ?
C51 C50 P3 Pd3 131.1(2) . . . . ?
C51 C52 C53 C54 1.5(6) . . . . ?
C52 C53 C54 C55 -0.1(6) . . . . ?
C53 C54 C55 C50 -1.5(6) . . . . ?
C53 C54 C55 C56 178.6(4) . . . . ?
C55 C50 C51 C52 -0.4(5) . . . . ?
C55 C50 P3 C49 64.9(3) . . . . ?
C55 C50 P3 C57 176.2(3) . . . . ?
C55 C50 P3 Pd3 -49.8(3) . . . . ?
C57 C58 C59 C60 -0.1(7) . . . . ?
C58 C57 C62 C61 1.1(5) . . . . ?
C58 C57 C62 C63 -179.0(3) . . . . ?
C58 C57 P3 C49 5.9(3) . . . . ?
C58 C57 P3 C50 -104.3(3) . . . . ?
C58 C57 P3 Pd3 118.5(3) . . . . ?
C58 C59 C60 C61 -0.3(7) . . . . ?
C59 C60 C61 C62 1.1(6) . . . . ?
C60 C61 C62 C57 -1.5(5) . . . . ?
C60 C61 C62 C63 178.6(3) . . . . ?
C62 C57 C58 C59 -0.4(6) . . . . ?
C62 C57 P3 C49 -172.0(3) . . . . ?
C62 C57 P3 C50 77.8(3) . . . . ?
C62 C57 P3 Pd3 -59.4(3) . . . . ?
C64 C65 C66 C67 -177.0(4) . . . . ?
C64 C65 C70 C69 176.0(3) . . . . ?
C64 C65 C70 P4 -5.2(4) . . . . ?
C65 C66 C67 C68 0.7(6) . . . . ?
C65 C70 P4 C71 -108.8(3) . . . . ?
C65 C70 P4 C78 137.2(3) . . . . ?
C65 C70 P4 Pd4 2.5(3) . . . . ?
C66 C65 C70 C69 -1.7(5) . . . . ?
C66 C65 C70 P4 177.1(3) . . . . ?
C66 C67 C68 C69 -1.2(6) . . . . ?
C67 C68 C69 C70 0.1(5) . . . . ?
C68 C69 C70 C65 1.3(5) . . . . ?
C68 C69 C70 P4 -177.3(3) . . . . ?
C69 C70 P4 C71 70.0(3) . . . . ?
C69 C70 P4 C78 -44.1(3) . . . . ?
C69 C70 P4 Pd4 -178.8(3) . . . . ?
C70 C65 C66 C67 0.7(6) . . . . ?
C71 C72 C73 C74 0.3(6) . . . . ?
C72 C71 C76 C75 -1.0(5) . . . . ?
C72 C71 C76 C77 178.8(3) . . . . ?
C72 C71 P4 C70 21.1(3) . . . . ?
C72 C71 P4 C78 130.4(3) . . . . ?
C72 C71 P4 Pd4 -90.5(3) . . . . ?
C72 C73 C74 C75 -0.5(7) . . . . ?
C73 C74 C75 C76 0.0(6) . . . . ?
C74 C75 C76 C71 0.8(6) . . . . ?
C74 C75 C76 C77 -179.0(4) . . . . ?
C76 C71 C72 C73 0.5(5) . . . . ?
C76 C71 P4 C70 -170.3(3) . . . . ?
C76 C71 P4 C78 -61.0(3) . . . . ?
C76 C71 P4 Pd4 78.1(3) . . . . ?
C78 C79 C80 C81 1.3(7) . . . . ?
C79 C78 C83 C82 0.5(5) . . . . ?
C79 C78 C83 C84 -179.2(4) . . . . ?
C79 C78 P4 C70 92.9(3) . . . . ?
C79 C78 P4 C71 -18.1(3) . . . . ?
C79 C78 P4 Pd4 -145.9(3) . . . . ?
C79 C80 C81 C82 -1.1(7) . . . . ?
C80 C81 C82 C83 0.6(7) . . . . ?
C81 C82 C83 C78 -0.2(6) . . . . ?
C81 C82 C83 C84 179.4(4) . . . . ?
C83 C78 C79 C80 -1.0(6) . . . . ?
C83 C78 P4 C70 -82.2(3) . . . . ?
C83 C78 P4 C71 166.8(3) . . . . ?
C83 C78 P4 Pd4 39.0(3) . . . . ?
P1 C8 C9 C10 -178.9(3) . . . . ?
P1 C8 C13 C12 177.2(3) . . . . ?
P1 C8 C13 C14 -4.9(4) . . . . ?
P1 C15 C16A C17A -175.6(6) . . . . ?
P1 C15 C20A C19A 174.9(7) . . . . ?
P1 C15 C20A C21A 1.2(16) . . . . ?
P1 C15 C16 C17 176.8(7) . . . . ?
P1 C15 C20 C19 -176.2(5) . . . . ?
P1 C15 C20 C21 1.6(8) . . . . ?
P2 C29 C30 C31 -178.7(3) . . . . ?
P2 C29 C34 C33 178.5(3) . . . . ?
P2 C29 C34 C35 -2.5(5) . . . . ?
P2 C36 C37 C38 176.0(3) . . . . ?
P2 C36 C41 C40 -176.2(3) . . . . ?
P2 C36 C41 C42 3.6(5) . . . . ?
P3 C50 C51 C52 178.7(3) . . . . ?
P3 C50 C55 C54 -177.4(3) . . . . ?
P3 C50 C55 C56 2.5(5) . . . . ?
P3 C57 C58 C59 -178.2(3) . . . . ?
P3 C57 C62 C61 179.0(3) . . . . ?
P3 C57 C62 C63 -1.1(4) . . . . ?
P4 C71 C72 C73 169.6(3) . . . . ?
P4 C71 C76 C75 -169.4(3) . . . . ?
P4 C71 C76 C77 10.4(5) . . . . ?
P4 C78 C79 C80 -176.1(4) . . . . ?
P4 C78 C83 C82 175.6(3) . . . . ?
P4 C78 C83 C84 -4.1(5) . . . . ?
Pd1 C1 C2 C3 154.0(3) . . . . ?
Pd1 C1 C2 C7 -26.0(4) . . . . ?
Pd2 C22 C23 C24 148.1(3) . . . . ?
Pd2 C22 C23 C28 -31.6(4) . . . . ?
Pd3 C43 C44 C45 -144.9(3) . . . . ?
Pd3 C43 C44 C49 35.0(4) . . . . ?
Pd4 C64 C65 C66 -176.5(3) . . . . ?
Pd4 C64 C65 C70 5.9(5) . . . . ?
C87 C88 C89 C90 179(3) . . . . ?
C88 C89 C90 C91 -161(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.273
_oxdiff_exptl_absorpt_empirical_full_min 0.769
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ijsf23078
_database_code_depnum_ccdc_archive 'CCDC 2308805'
loop_
_audit_author_name
_audit_author_address
'Adrian Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2023-11-17 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H60 B2 F O5 P3 Pd4, 1[C4H8O]'
_chemical_formula_sum            'C63 H60 B2 F O5 P3 Pd4'
_chemical_formula_weight         1456.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C67 H66 B2 F1 O6 P3 Pd4'
_chemical_oxdiff_usercomment     'David Husbands DRH-03-32-2'
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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.0801(3)
_cell_length_b                   15.0825(3)
_cell_length_c                   16.2726(2)
_cell_angle_alpha                79.7260(10)
_cell_angle_beta                 74.1320(10)
_cell_angle_gamma                63.091(2)
_cell_volume                     3168.19(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15726
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      76.1230
_cell_measurement_theta_min      3.5570
_shelx_estimated_absorpt_T_max   0.665
_shelx_estimated_absorpt_T_min   0.419
_exptl_absorpt_coefficient_mu    10.116
_exptl_absorpt_correction_T_max  0.785
_exptl_absorpt_correction_T_min  0.542
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.95a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1452
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 1 0.0172
-1 0 -1 0.0269
0 -1 1 0.0175
1 1 1 0.0190
1 1 -1 0.0336
-1 -1 1 0.0336
0 -1 -1 0.0688
0 1 1 0.0365
1 0 -1 0.0397
0 1 0 0.0309
1 0 0 0.0258
0 -1 0 0.0430
0 0 1 0.0250

_exptl_crystal_recrystallization_method 'THF/pentane slow vapour diffusion'
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.044
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0000 -0.0001 1.0000 0.0468 0.1254 0.0228
-1.0000 0.0001 -1.0000 -0.0468 -0.1254 -0.0228
-0.0000 -1.0001 1.0001 0.0706 0.1002 -0.0966
1.0000 1.0000 1.0000 0.0708 0.0497 0.1057
1.0000 1.0000 -1.0001 -0.1183 0.0007 0.1331
-1.0000 -1.0000 1.0001 0.1183 -0.0007 -0.1331
0.0000 -1.0001 -1.0000 -0.1185 0.0512 -0.0692
-0.0000 1.0001 1.0000 0.1185 -0.0512 0.0692
1.0000 -0.0000 -1.0001 -0.1423 0.0764 0.0502
-0.0000 1.0001 -0.0000 0.0240 -0.0757 0.0829
1.0000 -0.0001 -0.0000 -0.0477 0.1009 0.0365
0.0000 -1.0001 0.0000 -0.0240 0.0757 -0.0829
-0.0000 -0.0000 1.0001 0.0946 0.0245 -0.0137

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36300
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.076
_diffrn_reflns_theta_max         67.076
_diffrn_reflns_theta_min         3.568
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00  -9.00   0.50    4.00    --  -48.64 118.00  57.00  150
  2  ω   -102.00 -76.00   0.50    4.00    --  -48.64 160.00-149.00   52
  3  ω   -106.00 -51.00   0.50    4.00    --  -48.64-160.00 178.00  110
  4  ω     40.00  66.00   0.50    4.00    --   48.64-118.00 -28.00   52
  5  ω     72.00  97.00   0.50    4.00    --   48.64 160.00-149.00   50
  6  ω     55.00 102.00   0.50    4.00    --   48.64-160.00 178.00   94
  7  ω     91.00 116.00   0.50   16.00    --  107.75 160.00-149.00   50
  8  ω    113.00 139.00   0.50   16.00    --  107.75 118.00  57.00   52
  9  ω     56.00  82.00   0.50   16.00    --  107.75-118.00 -28.00   52
 10  ω    107.00 134.00   0.50   16.00    --  107.75-160.00 178.00   54
 11  ω    -56.00  26.00   0.50    4.00    --  -48.64  19.00 -30.00  164
 12  ω   -109.00 -83.00   0.50    4.00    --  -48.64-125.00  60.00   52
 13  ω   -107.00 -74.00   0.50    4.00    --  -48.64-125.00-120.00   66
 14  ω   -108.00 -82.00   0.50    4.00    --  -48.64-125.00   0.00   52
 15  ω   -120.00 -26.00   0.50    4.00    --  -48.64 -77.00   0.00  188
 16  ω   -117.00 -41.00   0.50    4.00    --  -48.64 -37.00-180.00  152
 17  ω    107.00 178.00   0.50   16.00    --  107.75 125.00-150.00  142
 18  ω     38.00 103.00   0.50   16.00    --  107.75 -99.00 -30.00  130
 19  ω     37.00 106.00   0.50   16.00    --  107.75 -99.00 150.00  138
 20  ω     95.00 177.00   0.50   16.00    --  107.75  19.00 -60.00  164
 21  ω     35.00 123.00   0.50   16.00    --  107.75 -77.00 150.00  176
 22  ω     84.00 120.00   0.50   16.00    --  107.75 -37.00 -60.00   72
 23  ω     50.00  93.00   0.50   16.00    --  107.75 -57.00 -30.00   86
 24  ω     32.00 120.00   0.50   16.00    --  107.75 -19.00 120.00  176
 25  ω     49.00 119.00   0.50   16.00    --  107.75 -19.00-180.00  140
 26  ω     35.00  63.00   0.50   16.00    --  107.75 -37.00 -60.00   56
 27  ω     38.00 107.00   0.50   16.00    --  107.75-125.00 120.00  138
 28  ω     65.00  90.00   0.50   16.00    --  107.75 -99.00-120.00   50
 29  ω    118.00 144.00   0.50   16.00    --  107.75 125.00 -90.00   52
 30  ω     41.00 106.00   0.50   16.00    --  107.75 -99.00   0.00  130
 31  ω     78.00 119.00   0.50   16.00    --  107.75 -37.00 120.00   82
 32  ω     49.00 106.00   0.50   16.00    --  107.75 -99.00 -90.00  114
 33  ω     95.00 173.00   0.50   16.00    --  107.75  19.00   0.00  156
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0477331000
_diffrn_orient_matrix_UB_12      0.0239919000
_diffrn_orient_matrix_UB_13      0.0945465000
_diffrn_orient_matrix_UB_21      0.1008811000
_diffrn_orient_matrix_UB_22      -0.0756687000
_diffrn_orient_matrix_UB_23      0.0244857000
_diffrn_orient_matrix_UB_31      0.0365288000
_diffrn_orient_matrix_UB_32      0.0829007000
_diffrn_orient_matrix_UB_33      -0.0137058000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9231
_reflns_number_total             11292
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.95a 64-bit (release 03-11-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.341
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     862
_refine_ls_number_reflns         11292
_refine_ls_number_restraints     103
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0376
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0574P)²+1.2288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1056
_refine_special_details          
;The structure exhibited considerable disorder.  All but one benzyl was 
modelled in two positions with equal occupancy (free refinement of 
occupancies revealed a 1:1 ratio).  In addition, 2 palladiums, two 
phosphoruses and the fluorine were also modelled in two positions with
equal occupancy.  The ADPs of each pair of disordered atoms were 
constrained to be equal (e.g. Pd2a & Pd2b, C8a & C8b). 5 aromatic rings 
were constrained to be regular hexagons with a C-C bond length of 1.39 
angstroms (8a-13a, 8b-13b, 15b-20b, 29a-34a, 29b-24b).

The crystal contained highly disordered solvent for which a discrete atom model
could not be obtained.  Use of a solvent mask gave an estimated void volume
of 140 cubic angstroms containing 42 electrons per asymmetric unit.  This could 
be either a tetrahydrofuran, a pentane or a mixture of both.,The structure exhibited considerable disorder.  All but one benzyl was modelled in two positions with equal occupancy (free refinement of occupancies revealed a 1:1 ratio).  In addition, 2 palladiums, two phosphoruses and the fluorine were also modelled in two positions with equal occupancy.  The ADPs of each pair of disordered atoms were constrained to be equal (e.g. Pd2a & Pd2b, C8a & C8b). 5 aromatic rings were constrained to be regular hexagons with a C-C bond length of 1.39 angstroms (8a-13a, 8b-13b, 15b-20b, 29a-34a, 29b-24b).  The crystal contained highly disordered solvent for which a discrete atom model could not be obtained.  Use of a solvent mask gave an estimated void volume of 170 cubic angstroms containing 42 electrons per asymmetric unit.  This could be either a tetrahydrofuran, a pentane or a mixture of both.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C14B-C13B \\sim C14A-C13A
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C56A) \\sim Ueq, Uanis(C56B) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C12B) \\sim Ueq, Uanis(C9B) \\sim Ueq, Uanis(C10B) \\sim Ueq, Uanis(C9A)
\\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C11A) \\sim Ueq, Uanis(C11B) \\sim Ueq:
with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(C8B) \\sim Ueq, Uanis(C8A) \\sim Ueq, Uanis(C13B) \\sim Ueq, Uanis(C13A)
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C57B) \\sim Ueq, Uanis(C57A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F1B) \\sim Ueq, Uanis(F1A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C56B) = Uanis(C56A)
Uanis(C33B) = Uanis(C33A)
Uanis(C14B) = Uanis(C14A)
Uanis(C13A) = Uanis(C13B)
Uanis(C8A) = Uanis(C8B)
Uanis(C49A) = Uanis(C49B)
Uanis(C48A) = Uanis(C48B)
Uanis(C9A) = Uanis(C9B)
Uanis(C10A) = Uanis(C10B)
Uanis(C43A) = Uanis(C43B)
Uanis(C44A) = Uanis(C44B)
Uanis(C11A) = Uanis(C11B)
Uanis(C12A) = Uanis(C12B)
Uanis(C45A) = Uanis(C45B)
Uanis(C46A) = Uanis(C46B)
Uanis(C47A) = Uanis(C47B)
Uanis(C55A) = Uanis(C55B)
Uanis(C54B) = Uanis(C54A)
Uanis(C53A) = Uanis(C53B)
Uanis(C52B) = Uanis(C52A)
Uanis(C51A) = Uanis(C51B)
Uanis(C50A) = Uanis(C50B)
Uanis(C63A) = Uanis(C63B)
Uanis(C62A) = Uanis(C62B)
Uanis(C57A) = Uanis(C57B)
Uanis(C58A) = Uanis(C58B)
Uanis(C59A) = Uanis(C59B)
Uanis(C60A) = Uanis(C60B)
Uanis(C61B) = Uanis(C61A)
Uanis(C28A) = Uanis(C28B)
Uanis(C22B) = Uanis(C22A)
Uanis(C23A) = Uanis(C23B)
Uanis(C24B) = Uanis(C24A)
Uanis(C26A) = Uanis(C26B)
Uanis(C27A) = Uanis(C27B)
Uanis(C25A) = Uanis(C25B)
Uanis(F1B) = Uanis(F1A)
Uanis(C42A) = Uanis(C42B)
Uanis(C41A) = Uanis(C41B)
Uanis(C40A) = Uanis(C40B)
Uanis(C39A) = Uanis(C39B)
Uanis(C38A) = Uanis(C38B)
Uanis(C37A) = Uanis(C37B)
Uanis(C36B) = Uanis(C36A)
Uanis(C35B) = Uanis(C35A)
Uanis(C34B) = Uanis(C34A)
Uanis(C29B) = Uanis(C29A)
Uanis(C30B) = Uanis(C30A)
Uanis(C31B) = Uanis(C31A)
Uanis(C32B) = Uanis(C32A)
Uanis(C33A) = Uanis(C33B)
Uanis(C21B) = Uanis(C21A)
Uanis(C15A) = Uanis(C15B)
Uanis(C16A) = Uanis(C20B)
Uanis(C17A) = Uanis(C19B)
Uanis(C18A) = Uanis(C18B)
Uanis(C19A) = Uanis(C17B)
Uanis(C20A) = Uanis(C16B)
4. Others
 Fixed Sof: C8A(0.5) C9A(0.5) H9A(0.5) C10A(0.5) H10A(0.5) C11A(0.5) H11A(0.5)
 C12A(0.5) H12A(0.5) C13A(0.5) C14A(0.5) H14A(0.5) H14B(0.5) H14C(0.5)
 C15A(0.5) C16A(0.5) H16A(0.5) C17A(0.5) H17A(0.5) C18A(0.5) H18A(0.5)
 C19A(0.5) H19A(0.5) C20A(0.5) C21A(0.5) H21A(0.5) H21B(0.5) H21C(0.5)
 C22A(0.5) C23A(0.5) H23A(0.5) C24A(0.5) H24A(0.5) C25A(0.5) H25A(0.5)
 C26A(0.5) H26A(0.5) C27A(0.5) C28A(0.5) H28A(0.5) H28B(0.5) C29A(0.5)
 C30A(0.5) H30A(0.5) C31A(0.5) H31A(0.5) C32A(0.5) H32A(0.5) C33A(0.5)
 H33A(0.5) C34A(0.5) C35A(0.5) H35A(0.5) H35B(0.5) H35C(0.5) C36A(0.5)
 C37A(0.5) H37A(0.5) C38A(0.5) H38A(0.5) C39A(0.5) H39A(0.5) C40A(0.5)
 H40A(0.5) C41A(0.5) C42A(0.5) H42A(0.5) H42B(0.5) H42C(0.5) C43A(0.5)
 C44A(0.5) H44A(0.5) C45A(0.5) H45A(0.5) C46A(0.5) H46A(0.5) C47A(0.5)
 H47A(0.5) C48A(0.5) C49A(0.5) H49A(0.5) H49B(0.5) C50A(0.5) C51A(0.5)
 H51A(0.5) C52A(0.5) H52A(0.5) C53A(0.5) H53A(0.5) C54A(0.5) H54A(0.5)
 C55A(0.5) C56A(0.5) H56A(0.5) H56B(0.5) H56C(0.5) C57A(0.5) C58A(0.5)
 H58A(0.5) C59A(0.5) H59A(0.5) C60A(0.5) H60A(0.5) C61A(0.5) H61A(0.5)
 C62A(0.5) C63A(0.5) H63A(0.5) H63B(0.5) H63C(0.5) F1A(0.5) P2A(0.5) P3A(0.5)
 Pd2A(0.5) Pd3A(0.5) C8B(0.5) C9B(0.5) H9B(0.5) C10B(0.5) H10B(0.5) C11B(0.5)
 H11B(0.5) C12B(0.5) H12B(0.5) C13B(0.5) C14B(0.5) H14D(0.5) H14E(0.5)
 H14F(0.5) C15B(0.5) C16B(0.5) H16B(0.5) C17B(0.5) H17B(0.5) C18B(0.5)
 H18B(0.5) C19B(0.5) H19B(0.5) C20B(0.5) C21B(0.5) H21D(0.5) H21E(0.5)
 H21F(0.5) C22B(0.5) C23B(0.5) H23B(0.5) C24B(0.5) H24B(0.5) C25B(0.5)
 H25B(0.5) C26B(0.5) H26B(0.5) C27B(0.5) C28B(0.5) H28C(0.5) H28D(0.5)
 C29B(0.5) C30B(0.5) H30B(0.5) C31B(0.5) H31B(0.5) C32B(0.5) H32B(0.5)
 C33B(0.5) H33B(0.5) C34B(0.5) C35B(0.5) H35D(0.5) H35E(0.5) H35F(0.5)
 C36B(0.5) C37B(0.5) H37B(0.5) C38B(0.5) H38B(0.5) C39B(0.5) H39B(0.5)
 C40B(0.5) H40B(0.5) C41B(0.5) C42B(0.5) H42D(0.5) H42E(0.5) H42F(0.5)
 C43B(0.5) C44B(0.5) H44B(0.5) C45B(0.5) H45B(0.5) C46B(0.5) H46B(0.5)
 C47B(0.5) H47B(0.5) C48B(0.5) C49B(0.5) H49C(0.5) H49D(0.5) C50B(0.5)
 C51B(0.5) H51B(0.5) C52B(0.5) H52B(0.5) C53B(0.5) H53B(0.5) C54B(0.5)
 H54B(0.5) C55B(0.5) C56B(0.5) H56D(0.5) H56E(0.5) H56F(0.5) C57B(0.5)
 C58B(0.5) H58B(0.5) C59B(0.5) H59B(0.5) C60B(0.5) H60B(0.5) C61B(0.5)
 H61B(0.5) C62B(0.5) C63B(0.5) H63D(0.5) H63E(0.5) H63F(0.5) F1B(0.5) P2B(0.5)
 P3B(0.5) Pd2B(0.5) Pd3B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C28A(H28A,H28B), C49A(H49A,H49B), C28B(H28C,H28D), C49B(H49C,H49D)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A),
 C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A), C23A(H23A), C24A(H24A),
 C25A(H25A), C26A(H26A), C30A(H30A), C31A(H31A), C32A(H32A), C33A(H33A),
 C37A(H37A), C38A(H38A), C39A(H39A), C40A(H40A), C44A(H44A), C45A(H45A),
 C46A(H46A), C47A(H47A), C51A(H51A), C52A(H52A), C53A(H53A), C54A(H54A),
 C58A(H58A), C59A(H59A), C60A(H60A), C61A(H61A), C9B(H9B), C10B(H10B),
 C11B(H11B), C12B(H12B), C16B(H16B), C17B(H17B), C18B(H18B), C19B(H19B),
 C23B(H23B), C24B(H24B), C25B(H25B), C26B(H26B), C30B(H30B), C31B(H31B),
 C32B(H32B), C33B(H33B), C37B(H37B), C38B(H38B), C39B(H39B), C40B(H40B),
 C44B(H44B), C45B(H45B), C46B(H46B), C47B(H47B), C51B(H51B), C52B(H52B),
 C53B(H53B), C54B(H54B), C58B(H58B), C59B(H59B), C60B(H60B), C61B(H61B)
5.c Fitted hexagon refined as free rotating group:
 C8A(C9A,C10A,C11A,C12A,C13A), C29A(C30A,C31A,C32A,C33A,C34A), C8B(C9B,C10B,
 C11B,C12B,C13B), C15B(C16B,C17B,C18B,C19B,C20B), C29B(C30B,C31B,C32B,C33B,C34B)
5.d Idealised Me refined as rotating group:
 C14A(H14A,H14B,H14C), C21A(H21A,H21B,H21C), C35A(H35A,H35B,H35C), C42A(H42A,
 H42B,H42C), C56A(H56A,H56B,H56C), C63A(H63A,H63B,H63C), C14B(H14D,H14E,H14F),
 C21B(H21D,H21E,H21F), C35B(H35D,H35E,H35F), C42B(H42D,H42E,H42F), C56B(H56D,
 H56E,H56F), C63B(H63D,H63E,H63F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.5934(5) 0.6670(5) 0.5588(4) 0.0703(15) Uani 1 1 d . . . . .
B2 B 0.5495(4) 0.6458(4) 0.4251(3) 0.0558(12) Uani 1 1 d . . . . .
C1 C 0.1486(3) 0.6100(3) 0.7776(3) 0.0549(10) Uani 1 1 d . . . . .
C2 C 0.0456(3) 0.6684(4) 0.7771(3) 0.0657(12) Uani 1 1 d . . . . .
H2 H 0.003640 0.639058 0.771621 0.079 Uiso 1 1 calc R U . . .
C3 C 0.0059(4) 0.7700(4) 0.7846(4) 0.0785(15) Uani 1 1 d . . . . .
H3 H -0.063716 0.810567 0.783497 0.094 Uiso 1 1 calc R U . . .
C4 C 0.0647(4) 0.8130(4) 0.7937(3) 0.0733(13) Uani 1 1 d . . . . .
H4 H 0.035702 0.882774 0.799313 0.088 Uiso 1 1 calc R U . . .
C5 C 0.1667(4) 0.7554(4) 0.7946(3) 0.0650(11) Uani 1 1 d . . . . .
H5 H 0.207162 0.785913 0.801096 0.078 Uiso 1 1 calc R U . . .
C6 C 0.2102(3) 0.6531(3) 0.7862(3) 0.0566(10) Uani 1 1 d . . . . .
C7 C 0.3202(3) 0.5884(4) 0.7843(3) 0.0671(12) Uani 1 1 d . . . . .
H7A H 0.329588 0.573543 0.843934 0.081 Uiso 1 1 calc R U . . .
H7B H 0.359758 0.626475 0.753682 0.081 Uiso 1 1 calc R U . . .
O1 O 0.5762(2) 0.5980(3) 0.61457(19) 0.0599(7) Uani 1 1 d . . . . .
O2 O 0.6332(5) 0.7237(4) 0.5823(3) 0.1141(16) Uani 1 1 d . . . . .
O3 O 0.5798(3) 0.6886(2) 0.4746(2) 0.0676(8) Uani 1 1 d . . . . .
O4 O 0.5226(3) 0.5721(3) 0.4626(2) 0.0792(11) Uani 1 1 d . . . . .
O5 O 0.5472(2) 0.6764(2) 0.34192(19) 0.0574(7) Uani 1 1 d . . . . .
P1 P 0.22172(8) 0.47802(9) 0.76033(6) 0.0509(2) Uani 1 1 d . . . . .
Pd1 Pd 0.37996(2) 0.45774(2) 0.72865(2) 0.04854(9) Uani 1 1 d . . . . .
Pd4 Pd 0.52698(2) 0.51075(2) 0.58041(2) 0.05093(9) Uani 1 1 d . . . . .
C8A C 0.194(2) 0.447(2) 0.675(2) 0.066(3) Uani 0.5 1 d G U P A 1
C9A C 0.1830(19) 0.358(2) 0.686(2) 0.087(5) Uani 0.5 1 d G U P A 1
H9A H 0.192895 0.317180 0.737300 0.105 Uiso 0.5 1 calc R U P A 1
C10A C 0.157(3) 0.330(2) 0.622(3) 0.125(6) Uani 0.5 1 d G U P A 1
H10A H 0.149731 0.269947 0.629840 0.150 Uiso 0.5 1 calc R U P A 1
C11A C 0.143(3) 0.390(2) 0.547(2) 0.118(6) Uani 0.5 1 d G U P A 1
H11A H 0.125368 0.371244 0.503578 0.142 Uiso 0.5 1 calc R U P A 1
C12A C 0.154(3) 0.4787(19) 0.5360(19) 0.089(6) Uani 0.5 1 d G . P A 1
H12A H 0.144169 0.519776 0.484777 0.106 Uiso 0.5 1 calc R U P A 1
C13A C 0.180(3) 0.5067(19) 0.600(2) 0.074(3) Uani 0.5 1 d DG U P A 1
C14A C 0.206(7) 0.593(4) 0.576(7) 0.082(5) Uani 0.5 1 d D . P A 1
H14A H 0.209077 0.611974 0.514824 0.122 Uiso 0.5 1 calc R U P A 1
H14B H 0.271927 0.575610 0.588687 0.122 Uiso 0.5 1 calc R U P A 1
H14C H 0.153259 0.649904 0.609115 0.122 Uiso 0.5 1 calc R U P A 1
C15A C 0.1922(11) 0.4039(13) 0.8608(10) 0.0583(16) Uani 0.5 1 d . . P A 1
C16A C 0.2725(12) 0.3525(11) 0.9009(10) 0.078(3) Uani 0.5 1 d . . P A 1
H16A H 0.336628 0.354513 0.877787 0.094 Uiso 0.5 1 calc R U P A 1
C17A C 0.2548(11) 0.2956(10) 0.9793(9) 0.089(3) Uani 0.5 1 d . . P A 1
H17A H 0.308371 0.258114 1.008702 0.106 Uiso 0.5 1 calc R U P A 1
C18A C 0.1628(12) 0.2951(13) 1.0113(11) 0.103(4) Uani 0.5 1 d . . P A 1
H18A H 0.152111 0.258308 1.063854 0.124 Uiso 0.5 1 calc R U P A 1
C19A C 0.0833(15) 0.3471(16) 0.9695(12) 0.133(5) Uani 0.5 1 d . . P A 1
H19A H 0.019518 0.343984 0.991980 0.160 Uiso 0.5 1 calc R U P A 1
C20A C 0.0976(11) 0.4018(11) 0.8969(10) 0.087(3) Uani 0.5 1 d . . P A 1
C21A C 0.0035(10) 0.4606(10) 0.8523(9) 0.093(3) Uani 0.5 1 d . . P A 1
H21A H -0.041182 0.524142 0.878647 0.140 Uiso 0.5 1 calc R U P A 1
H21B H -0.034750 0.420658 0.859578 0.140 Uiso 0.5 1 calc R U P A 1
H21C H 0.028229 0.473267 0.791110 0.140 Uiso 0.5 1 calc R U P A 1
C22A C 0.8064(8) 0.0957(9) 0.6470(8) 0.058(2) Uani 0.5 1 d . . P B 1
C23A C 0.8919(11) 0.0022(10) 0.6209(10) 0.080(3) Uani 0.5 1 d . . P B 1
H23A H 0.882525 -0.052647 0.610363 0.096 Uiso 0.5 1 calc R U P B 1
C24A C 0.9859(13) -0.0028(18) 0.6123(15) 0.116(7) Uani 0.5 1 d . . P B 1
H24A H 1.043372 -0.062467 0.593430 0.139 Uiso 0.5 1 calc R U P B 1
C25A C 1.0016(12) 0.0669(16) 0.6277(15) 0.108(4) Uani 0.5 1 d . . P B 1
H25A H 1.070002 0.056129 0.622496 0.129 Uiso 0.5 1 calc R U P B 1
C26A C 0.9204(10) 0.1632(12) 0.6532(12) 0.092(4) Uani 0.5 1 d . . P B 1
H26A H 0.934632 0.215799 0.661552 0.111 Uiso 0.5 1 calc R U P B 1
C27A C 0.8235(15) 0.1747(13) 0.6644(14) 0.074(4) Uani 0.5 1 d . . P B 1
C28A C 0.7295(14) 0.2679(12) 0.6900(14) 0.070(3) Uani 0.5 1 d . . P B 1
H28A H 0.742384 0.324742 0.658129 0.084 Uiso 0.5 1 calc R U P B 1
H28B H 0.721075 0.274237 0.751456 0.084 Uiso 0.5 1 calc R U P B 1
C29A C 0.6844(11) 0.0756(7) 0.5534(5) 0.073(2) Uani 0.5 1 d G . P B 1
C30A C 0.6803(12) -0.0159(7) 0.5625(6) 0.110(4) Uani 0.5 1 d G . P B 1
H30A H 0.670612 -0.048029 0.617802 0.132 Uiso 0.5 1 calc R U P B 1
C31A C 0.6905(13) -0.0606(7) 0.4907(7) 0.134(5) Uani 0.5 1 d G . P B 1
H31A H 0.687738 -0.123170 0.496882 0.160 Uiso 0.5 1 calc R U P B 1
C32A C 0.7047(13) -0.0136(10) 0.4097(6) 0.112(4) Uani 0.5 1 d G . P B 1
H32A H 0.711670 -0.044131 0.360641 0.135 Uiso 0.5 1 calc R U P B 1
C33A C 0.7088(12) 0.0780(10) 0.4006(5) 0.085(3) Uani 0.5 1 d G . P B 1
H33A H 0.718477 0.110050 0.345320 0.101 Uiso 0.5 1 calc R U P B 1
C34A C 0.6986(11) 0.1226(8) 0.4725(6) 0.067(3) Uani 0.5 1 d G . P B 1
C35A C 0.706(2) 0.220(4) 0.466(3) 0.082(5) Uani 0.5 1 d . . P B 1
H35A H 0.646876 0.265900 0.504686 0.122 Uiso 0.5 1 calc R U P B 1
H35B H 0.708293 0.248696 0.407343 0.122 Uiso 0.5 1 calc R U P B 1
H35C H 0.768587 0.207925 0.483101 0.122 Uiso 0.5 1 calc R U P B 1
C36A C 0.6326(10) 0.0471(7) 0.7462(8) 0.069(2) Uani 0.5 1 d . . P B 1
C37A C 0.7008(12) 0.0002(10) 0.8013(9) 0.085(3) Uani 0.5 1 d . . P B 1
H37A H 0.764248 0.004272 0.788785 0.102 Uiso 0.5 1 calc R U P B 1
C38A C 0.6711(13) -0.0540(12) 0.8767(9) 0.089(3) Uani 0.5 1 d . . P B 1
H38A H 0.715310 -0.090583 0.914751 0.107 Uiso 0.5 1 calc R U P B 1
C39A C 0.5773(19) -0.0504(14) 0.8911(10) 0.122(6) Uani 0.5 1 d . . P B 1
H39A H 0.554461 -0.081614 0.943123 0.146 Uiso 0.5 1 calc R U P B 1
C40A C 0.5128(15) -0.0052(10) 0.8366(11) 0.114(4) Uani 0.5 1 d . . P B 1
H40A H 0.449450 -0.009592 0.849493 0.136 Uiso 0.5 1 calc R U P B 1
C41A C 0.5399(11) 0.0483(9) 0.7607(10) 0.089(3) Uani 0.5 1 d . . P B 1
C42A C 0.4690(12) 0.0962(10) 0.7029(11) 0.107(3) Uani 0.5 1 d . . P B 1
H42A H 0.491612 0.054524 0.654767 0.161 Uiso 0.5 1 calc R U P B 1
H42B H 0.467584 0.161661 0.681247 0.161 Uiso 0.5 1 calc R U P B 1
H42C H 0.400502 0.104346 0.734116 0.161 Uiso 0.5 1 calc R U P B 1
C43A C 0.6874(8) 0.4783(9) 0.8970(6) 0.0548(19) Uani 0.5 1 d . . P B 1
C44A C 0.7662(8) 0.4606(10) 0.9401(7) 0.073(2) Uani 0.5 1 d . . P B 1
H44A H 0.790238 0.509957 0.936174 0.088 Uiso 0.5 1 calc R U P B 1
C45A C 0.8055(10) 0.3741(11) 0.9859(7) 0.080(2) Uani 0.5 1 d . . P B 1
H45A H 0.859513 0.361249 1.012185 0.096 Uiso 0.5 1 calc R U P B 1
C46A C 0.7683(9) 0.3042(11) 0.9951(7) 0.079(3) Uani 0.5 1 d . . P B 1
H46A H 0.797436 0.242709 1.026735 0.095 Uiso 0.5 1 calc R U P B 1
C47A C 0.6869(8) 0.3239(9) 0.9576(7) 0.066(2) Uani 0.5 1 d . . P B 1
H47A H 0.658423 0.277264 0.966775 0.079 Uiso 0.5 1 calc R U P B 1
C48A C 0.6488(8) 0.4098(8) 0.9079(7) 0.058(2) Uani 0.5 1 d . . P B 1
C49A C 0.5608(13) 0.4353(9) 0.8626(11) 0.053(2) Uani 0.5 1 d . . P B 1
H49A H 0.494729 0.472916 0.900973 0.063 Uiso 0.5 1 calc R U P B 1
H49B H 0.561295 0.372725 0.851305 0.063 Uiso 0.5 1 calc R U P B 1
C50A C 0.5350(8) 0.6846(9) 0.8966(7) 0.064(2) Uani 0.5 1 d . . P B 1
C51A C 0.5435(9) 0.6740(10) 0.9825(7) 0.077(2) Uani 0.5 1 d . . P B 1
H51A H 0.597657 0.617328 1.001318 0.092 Uiso 0.5 1 calc R U P B 1
C52A C 0.4733(10) 0.7458(10) 1.0400(8) 0.090(3) Uani 0.5 1 d . . P B 1
H52A H 0.480885 0.740921 1.096914 0.109 Uiso 0.5 1 calc R U P B 1
C53A C 0.3935(12) 0.8233(12) 1.0117(10) 0.099(3) Uani 0.5 1 d . . P B 1
H53A H 0.342872 0.870462 1.051055 0.119 Uiso 0.5 1 calc R U P B 1
C54A C 0.3834(10) 0.8357(10) 0.9269(10) 0.089(3) Uani 0.5 1 d . . P B 1
H54A H 0.328384 0.891814 0.908653 0.107 Uiso 0.5 1 calc R U P B 1
C55A C 0.4558(9) 0.7641(10) 0.8691(9) 0.074(2) Uani 0.5 1 d . . P B 1
C56A C 0.4423(19) 0.7821(18) 0.7800(11) 0.097(5) Uani 0.5 1 d . U P B 1
H56A H 0.503525 0.784711 0.740964 0.145 Uiso 0.5 1 calc R U P B 1
H56B H 0.383217 0.845548 0.774413 0.145 Uiso 0.5 1 calc R U P B 1
H56C H 0.431342 0.727942 0.765736 0.145 Uiso 0.5 1 calc R U P B 1
C57A C 0.7283(10) 0.6240(8) 0.7698(8) 0.055(2) Uani 0.5 1 d . U P B 1
C58A C 0.7125(16) 0.7221(12) 0.7727(13) 0.069(3) Uani 0.5 1 d . . P B 1
H58A H 0.652826 0.765943 0.808814 0.083 Uiso 0.5 1 calc R U P B 1
C59A C 0.782(2) 0.7555(15) 0.7244(18) 0.077(4) Uani 0.5 1 d . . P B 1
H59A H 0.770341 0.822406 0.726999 0.093 Uiso 0.5 1 calc R U P B 1
C60A C 0.877(2) 0.6866(11) 0.666(2) 0.067(4) Uani 0.5 1 d . . P B 1
H60A H 0.926303 0.707730 0.630426 0.081 Uiso 0.5 1 calc R U P B 1
C61A C 0.8866(19) 0.5922(14) 0.6700(17) 0.056(3) Uani 0.5 1 d . . P B 1
H61A H 0.944550 0.546556 0.633872 0.067 Uiso 0.5 1 calc R U P B 1
C62A C 0.822(2) 0.5592(17) 0.7193(18) 0.057(4) Uani 0.5 1 d . . P B 1
C63A C 0.842(3) 0.4524(16) 0.712(2) 0.067(5) Uani 0.5 1 d . . P B 1
H63A H 0.851187 0.414599 0.766954 0.100 Uiso 0.5 1 calc R U P B 1
H63B H 0.903323 0.421720 0.667642 0.100 Uiso 0.5 1 calc R U P B 1
H63C H 0.783438 0.452177 0.696569 0.100 Uiso 0.5 1 calc R U P B 1
F1A F 0.528(2) 0.4356(15) 0.698(2) 0.062(3) Uani 0.5 1 d . U P B 1
P2A P 0.6753(3) 0.1241(3) 0.6544(2) 0.0566(7) Uani 0.5 1 d . . P B 1
P3A P 0.6291(2) 0.5835(3) 0.82578(19) 0.0493(6) Uani 0.5 1 d . . P B 1
Pd2A Pd 0.59587(12) 0.28422(11) 0.67345(11) 0.0449(3) Uani 0.5 1 d . . P B 1
Pd3A Pd 0.57429(14) 0.51701(9) 0.75089(12) 0.0437(3) Uani 0.5 1 d . . P B 1
C8B C 0.176(2) 0.441(2) 0.678(2) 0.066(3) Uani 0.5 1 d G U P A 2
C9B C 0.154(2) 0.359(2) 0.698(2) 0.087(5) Uani 0.5 1 d G U P A 2
H9B H 0.149491 0.328809 0.754466 0.105 Uiso 0.5 1 calc R U P A 2
C10B C 0.138(3) 0.320(2) 0.635(3) 0.125(6) Uani 0.5 1 d G U P A 2
H10B H 0.122477 0.264101 0.647899 0.150 Uiso 0.5 1 calc R U P A 2
C11B C 0.144(3) 0.364(2) 0.552(2) 0.118(6) Uani 0.5 1 d G U P A 2
H11B H 0.132796 0.338003 0.508480 0.142 Uiso 0.5 1 calc R U P A 2
C12B C 0.166(3) 0.447(2) 0.5322(19) 0.089(6) Uani 0.5 1 d G U P A 2
H12B H 0.170131 0.476615 0.475627 0.106 Uiso 0.5 1 calc R U P A 2
C13B C 0.182(3) 0.4851(19) 0.596(2) 0.074(3) Uani 0.5 1 d DG U P A 2
C14B C 0.202(7) 0.576(4) 0.574(7) 0.082(5) Uani 0.5 1 d D . P A 2
H14D H 0.253457 0.569086 0.603233 0.122 Uiso 0.5 1 calc R U P A 2
H14E H 0.138673 0.634444 0.592293 0.122 Uiso 0.5 1 calc R U P A 2
H14F H 0.226652 0.582561 0.511878 0.122 Uiso 0.5 1 calc R U P A 2
C15B C 0.1773(9) 0.4143(11) 0.8557(8) 0.0583(16) Uani 0.5 1 d G . P A 2
C16B C 0.0725(8) 0.4526(9) 0.8879(8) 0.087(3) Uani 0.5 1 d G . P A 2
H16B H 0.028022 0.508267 0.858729 0.104 Uiso 0.5 1 calc R U P A 2
C17B C 0.0329(6) 0.4096(8) 0.9628(7) 0.133(5) Uani 0.5 1 d G . P A 2
H17B H -0.038634 0.435867 0.984749 0.160 Uiso 0.5 1 calc R U P A 2
C18B C 0.0981(8) 0.3282(8) 1.0055(6) 0.103(4) Uani 0.5 1 d G . P A 2
H18B H 0.071028 0.298853 1.056626 0.124 Uiso 0.5 1 calc R U P A 2
C19B C 0.2028(7) 0.2899(7) 0.9733(7) 0.089(3) Uani 0.5 1 d G . P A 2
H19B H 0.247348 0.234238 1.002485 0.106 Uiso 0.5 1 calc R U P A 2
C20B C 0.2424(6) 0.3329(9) 0.8984(9) 0.078(3) Uani 0.5 1 d G . P A 2
C21B C 0.3484(9) 0.2853(10) 0.8646(9) 0.093(3) Uani 0.5 1 d . . P A 2
H21D H 0.360608 0.274550 0.804047 0.140 Uiso 0.5 1 calc R U P A 2
H21E H 0.377682 0.220981 0.896256 0.140 Uiso 0.5 1 calc R U P A 2
H21F H 0.380332 0.327314 0.869857 0.140 Uiso 0.5 1 calc R U P A 2
C22B C 0.8270(9) 0.1304(11) 0.6499(8) 0.058(2) Uani 0.5 1 d . . P B 2
C23B C 0.9124(11) 0.0463(9) 0.6163(10) 0.080(3) Uani 0.5 1 d . . P B 2
H23B H 0.904965 -0.010307 0.607320 0.096 Uiso 0.5 1 calc R U P B 2
C24B C 1.0113(16) 0.046(2) 0.5956(18) 0.116(7) Uani 0.5 1 d . . P B 2
H24B H 1.071048 -0.009691 0.571901 0.139 Uiso 0.5 1 calc R U P B 2
C25B C 1.0142(10) 0.1297(13) 0.6119(12) 0.108(4) Uani 0.5 1 d . . P B 2
H25B H 1.079005 0.130885 0.599874 0.129 Uiso 0.5 1 calc R U P B 2
C26B C 0.9288(10) 0.2144(12) 0.6452(12) 0.092(4) Uani 0.5 1 d . . P B 2
H26B H 0.936125 0.270550 0.655408 0.111 Uiso 0.5 1 calc R U P B 2
C27B C 0.8314(15) 0.2148(11) 0.6633(14) 0.074(4) Uani 0.5 1 d . . P B 2
C28B C 0.7369(14) 0.3006(12) 0.6988(14) 0.070(3) Uani 0.5 1 d . . P B 2
H28C H 0.742629 0.362399 0.671336 0.084 Uiso 0.5 1 calc R U P B 2
H28D H 0.732918 0.299866 0.760675 0.084 Uiso 0.5 1 calc R U P B 2
C29B C 0.6880(11) 0.0932(7) 0.5806(5) 0.073(2) Uani 0.5 1 d G . P B 2
C30B C 0.6687(12) 0.0093(7) 0.5943(5) 0.110(4) Uani 0.5 1 d G . P B 2
H30B H 0.656789 -0.019514 0.650755 0.132 Uiso 0.5 1 calc R U P B 2
C31B C 0.6670(13) -0.0324(8) 0.5256(7) 0.134(5) Uani 0.5 1 d G . P B 2
H31B H 0.653856 -0.089773 0.534962 0.160 Uiso 0.5 1 calc R U P B 2
C32B C 0.6845(12) 0.0098(10) 0.4430(6) 0.112(4) Uani 0.5 1 d G . P B 2
H32B H 0.683288 -0.018745 0.395997 0.135 Uiso 0.5 1 calc R U P B 2
C33B C 0.7037(12) 0.0937(10) 0.4292(5) 0.085(3) Uani 0.5 1 d G . P B 2
H33B H 0.715653 0.122542 0.372825 0.101 Uiso 0.5 1 calc R U P B 2
C34B C 0.7054(11) 0.1354(9) 0.4980(6) 0.067(3) Uani 0.5 1 d G . P B 2
C35B C 0.733(2) 0.221(4) 0.472(3) 0.082(5) Uani 0.5 1 d . . P B 2
H35D H 0.672967 0.282738 0.490051 0.122 Uiso 0.5 1 calc R U P B 2
H35E H 0.756384 0.225344 0.409671 0.122 Uiso 0.5 1 calc R U P B 2
H35F H 0.787386 0.211336 0.499243 0.122 Uiso 0.5 1 calc R U P B 2
C36B C 0.6743(10) 0.0637(8) 0.7608(8) 0.069(2) Uani 0.5 1 d . . P B 2
C37B C 0.7584(12) 0.0087(10) 0.8034(9) 0.085(3) Uani 0.5 1 d . . P B 2
H37B H 0.822230 0.011683 0.781035 0.102 Uiso 0.5 1 calc R U P B 2
C38B C 0.7429(11) -0.0478(9) 0.8767(8) 0.089(3) Uani 0.5 1 d . . P B 2
H38B H 0.798750 -0.086726 0.903281 0.107 Uiso 0.5 1 calc R U P B 2
C39B C 0.6529(19) -0.0513(15) 0.9135(11) 0.122(6) Uani 0.5 1 d . . P B 2
H39B H 0.644590 -0.090708 0.964981 0.146 Uiso 0.5 1 calc R U P B 2
C40B C 0.5751(15) 0.0034(11) 0.8741(12) 0.114(4) Uani 0.5 1 d . . P B 2
H40B H 0.511746 0.000131 0.898789 0.136 Uiso 0.5 1 calc R U P B 2
C41B C 0.5808(11) 0.0631(9) 0.8013(10) 0.089(3) Uani 0.5 1 d . . P B 2
C42B C 0.4877(12) 0.1205(11) 0.7680(11) 0.107(3) Uani 0.5 1 d . . P B 2
H42D H 0.488118 0.183159 0.739097 0.161 Uiso 0.5 1 calc R U P B 2
H42E H 0.427818 0.134959 0.815579 0.161 Uiso 0.5 1 calc R U P B 2
H42F H 0.484961 0.081601 0.727312 0.161 Uiso 0.5 1 calc R U P B 2
C43B C 0.6708(7) 0.5375(8) 0.8936(6) 0.0548(19) Uani 0.5 1 d . . P B 2
C44B C 0.7406(8) 0.5351(10) 0.9368(7) 0.073(2) Uani 0.5 1 d . . P B 2
H44B H 0.761047 0.587806 0.927578 0.088 Uiso 0.5 1 calc R U P B 2
C45B C 0.7793(9) 0.4540(10) 0.9936(7) 0.080(2) Uani 0.5 1 d . . P B 2
H45B H 0.826724 0.450516 1.023708 0.096 Uiso 0.5 1 calc R U P B 2
C46B C 0.7482(10) 0.3787(11) 1.0056(7) 0.079(3) Uani 0.5 1 d . . P B 2
H46B H 0.774537 0.322641 1.043782 0.095 Uiso 0.5 1 calc R U P B 2
C47B C 0.6789(8) 0.3849(9) 0.9622(7) 0.066(2) Uani 0.5 1 d . . P B 2
H47B H 0.658951 0.331978 0.970359 0.079 Uiso 0.5 1 calc R U P B 2
C48B C 0.6374(9) 0.4655(9) 0.9072(7) 0.058(2) Uani 0.5 1 d . . P B 2
C49B C 0.5613(12) 0.4762(9) 0.8608(10) 0.053(2) Uani 0.5 1 d . . P B 2
H49C H 0.492323 0.511232 0.896498 0.063 Uiso 0.5 1 calc R U P B 2
H49D H 0.569856 0.408950 0.852952 0.063 Uiso 0.5 1 calc R U P B 2
C50B C 0.5222(9) 0.7411(9) 0.8676(7) 0.064(2) Uani 0.5 1 d . . P B 2
C51B C 0.5236(9) 0.7496(10) 0.9495(7) 0.077(2) Uani 0.5 1 d . . P B 2
H51B H 0.578209 0.701027 0.973893 0.092 Uiso 0.5 1 calc R U P B 2
C52B C 0.4474(12) 0.8270(11) 0.9978(9) 0.090(3) Uani 0.5 1 d . . P B 2
H52B H 0.446727 0.829167 1.055939 0.109 Uiso 0.5 1 calc R U P B 2
C53B C 0.3721(10) 0.9013(12) 0.9592(9) 0.099(3) Uani 0.5 1 d . . P B 2
H53B H 0.321254 0.956869 0.990214 0.119 Uiso 0.5 1 calc R U P B 2
C54B C 0.3707(10) 0.8953(10) 0.8781(10) 0.089(3) Uani 0.5 1 d . . P B 2
H54B H 0.318945 0.946806 0.852352 0.107 Uiso 0.5 1 calc R U P B 2
C55B C 0.4451(9) 0.8135(9) 0.8308(9) 0.074(2) Uani 0.5 1 d . . P B 2
C56B C 0.4458(19) 0.8109(18) 0.7403(11) 0.097(5) Uani 0.5 1 d . U P B 2
H56D H 0.499845 0.827976 0.703195 0.145 Uiso 0.5 1 calc R U P B 2
H56E H 0.379746 0.859166 0.728234 0.145 Uiso 0.5 1 calc R U P B 2
H56F H 0.458293 0.743938 0.729471 0.145 Uiso 0.5 1 calc R U P B 2
C57B C 0.7237(10) 0.6641(9) 0.7513(9) 0.055(2) Uani 0.5 1 d . U P B 2
C58B C 0.7142(16) 0.7611(13) 0.7482(12) 0.069(3) Uani 0.5 1 d . . P B 2
H58B H 0.653554 0.809901 0.779135 0.083 Uiso 0.5 1 calc R U P B 2
C59B C 0.789(2) 0.7874(15) 0.7024(18) 0.077(4) Uani 0.5 1 d . . P B 2
H59B H 0.780416 0.854066 0.701161 0.093 Uiso 0.5 1 calc R U P B 2
C60B C 0.871(2) 0.7230(11) 0.661(2) 0.067(4) Uani 0.5 1 d . . P B 2
H60B H 0.922335 0.743784 0.629394 0.081 Uiso 0.5 1 calc R U P B 2
C61B C 0.8900(19) 0.6253(14) 0.6594(17) 0.056(3) Uani 0.5 1 d . . P B 2
H61B H 0.954013 0.579435 0.629798 0.067 Uiso 0.5 1 calc R U P B 2
C62B C 0.809(2) 0.5924(17) 0.7042(18) 0.057(4) Uani 0.5 1 d . . P B 2
C63B C 0.829(3) 0.4882(14) 0.702(3) 0.067(5) Uani 0.5 1 d . . P B 2
H63D H 0.835624 0.454679 0.759288 0.100 Uiso 0.5 1 calc R U P B 2
H63E H 0.892730 0.454815 0.660681 0.100 Uiso 0.5 1 calc R U P B 2
H63F H 0.772722 0.485520 0.685971 0.100 Uiso 0.5 1 calc R U P B 2
F1B F 0.527(2) 0.4590(15) 0.699(2) 0.062(3) Uani 0.5 1 d . U P B 2
P2B P 0.6962(3) 0.1461(3) 0.6685(3) 0.0640(9) Uani 0.5 1 d . . P B 2
P3B P 0.6208(3) 0.6316(3) 0.8098(2) 0.0584(8) Uani 0.5 1 d . . P B 2
Pd2B Pd 0.60367(13) 0.30710(12) 0.68505(12) 0.0491(3) Uani 0.5 1 d . . P B 2
Pd3B Pd 0.57043(15) 0.55174(9) 0.74413(13) 0.0475(3) Uani 0.5 1 d . . P B 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
B1 O1 1.324(7) . ?
B1 O2 1.394(7) . ?
B1 O3 1.400(7) . ?
B2 O3 1.388(6) . ?
B2 O4 1.342(6) . ?
B2 O5 1.355(6) . ?
C1 C2 1.399(6) . ?
C1 C6 1.400(7) . ?
C1 P1 1.816(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.361(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(7) . ?
C6 C7 1.490(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 Pd1 2.024(5) . ?
O1 Pd4 1.991(3) . ?
O1 Pd3A 2.333(4) . ?
O1 Pd3B 2.090(4) . ?
O4 Pd4 2.014(3) 2_666 ?
O4 Pd4 1.980(3) . ?
O5 Pd1 2.179(3) 2_666 ?
O5 Pd2A 2.039(3) 2_666 ?
O5 Pd2B 2.330(3) 2_666 ?
P1 Pd1 2.1856(10) . ?
P1 C8A 1.75(3) . ?
P1 C15A 1.876(11) . ?
P1 C8B 1.92(3) . ?
P1 C15B 1.807(7) . ?
Pd1 Pd4 3.0602(4) . ?
Pd1 F1A 2.02(3) . ?
Pd1 Pd2A 3.1278(16) . ?
Pd1 F1B 2.15(3) . ?
Pd1 Pd2B 3.0618(18) . ?
Pd4 Pd4 3.0533(5) 2_666 ?
Pd4 F1A 2.04(3) . ?
Pd4 Pd3A 3.0741(19) . ?
Pd4 F1B 1.94(3) . ?
Pd4 Pd2B 3.1092(19) . ?
Pd4 Pd3B 3.133(2) . ?
C8A C9A 1.3900 . ?
C8A C13A 1.3900 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.3900 . ?
C10A H10A 0.9500 . ?
C10A C11A 1.3900 . ?
C11A H11A 0.9500 . ?
C11A C12A 1.3900 . ?
C12A H12A 0.9500 . ?
C12A C13A 1.3900 . ?
C13A C14A 1.489(10) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A C16A 1.377(19) . ?
C15A C20A 1.398(16) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.438(17) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.344(19) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.39(3) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.341(18) . ?
C20A C21A 1.588(19) . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A C23A 1.449(17) . ?
C22A C27A 1.418(17) . ?
C22A P2A 1.796(11) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.35(2) . ?
C24A H24A 0.9500 . ?
C24A C25A 1.26(3) . ?
C25A H25A 0.9500 . ?
C25A C26A 1.45(2) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.35(2) . ?
C27A C28A 1.50(3) . ?
C28A H28A 0.9900 . ?
C28A H28B 0.9900 . ?
C28A Pd2A 2.004(15) . ?
C29A C30A 1.3900 . ?
C29A C34A 1.3900 . ?
C29A P2A 1.863(7) . ?
C30A H30A 0.9500 . ?
C30A C31A 1.3900 . ?
C31A H31A 0.9500 . ?
C31A C32A 1.3900 . ?
C32A H32A 0.9500 . ?
C32A C33A 1.3900 . ?
C33A H33A 0.9500 . ?
C33A C34A 1.3900 . ?
C34A C35A 1.51(5) . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A C37A 1.407(19) . ?
C36A C41A 1.345(19) . ?
C36A P2A 1.878(13) . ?
C37A H37A 0.9500 . ?
C37A C38A 1.43(2) . ?
C38A H38A 0.9500 . ?
C38A C39A 1.35(3) . ?
C39A H39A 0.9500 . ?
C39A C40A 1.36(3) . ?
C40A H40A 0.9500 . ?
C40A C41A 1.42(2) . ?
C41A C42A 1.47(2) . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
C43A C44A 1.442(15) . ?
C43A C48A 1.363(18) . ?
C43A P3A 1.809(12) . ?
C44A H44A 0.9500 . ?
C44A C45A 1.343(19) . ?
C45A H45A 0.9500 . ?
C45A C46A 1.37(2) . ?
C46A H46A 0.9500 . ?
C46A C47A 1.409(15) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.367(16) . ?
C48A C49A 1.558(19) . ?
C49A H49A 0.9900 . ?
C49A H49B 0.9900 . ?
C49A Pd3A 2.022(15) . ?
C50A C51A 1.412(15) . ?
C50A C55A 1.366(16) . ?
C50A P3A 1.856(11) . ?
C51A H51A 0.9500 . ?
C51A C52A 1.398(16) . ?
C52A H52A 0.9500 . ?
C52A C53A 1.37(2) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.40(2) . ?
C54A H54A 0.9500 . ?
C54A C55A 1.406(18) . ?
C55A C56A 1.48(2) . ?
C56A H56A 0.9800 . ?
C56A H56B 0.9800 . ?
C56A H56C 0.9800 . ?
C57A C58A 1.395(19) . ?
C57A C62A 1.43(3) . ?
C57A P3A 1.824(13) . ?
C58A H58A 0.9500 . ?
C58A C59A 1.36(3) . ?
C59A H59A 0.9500 . ?
C59A C60A 1.51(4) . ?
C60A H60A 0.9500 . ?
C60A C61A 1.358(17) . ?
C61A H61A 0.9500 . ?
C61A C62A 1.31(4) . ?
C62A C63A 1.52(3) . ?
C63A H63A 0.9800 . ?
C63A H63B 0.9800 . ?
C63A H63C 0.9800 . ?
F1A Pd2A 2.10(2) . ?
F1A Pd3A 2.06(3) . ?
P2A Pd2A 2.192(4) . ?
P3A Pd3A 2.215(4) . ?
C8B C9B 1.3900 . ?
C8B C13B 1.3900 . ?
C9B H9B 0.9500 . ?
C9B C10B 1.3900 . ?
C10B H10B 0.9500 . ?
C10B C11B 1.3900 . ?
C11B H11B 0.9500 . ?
C11B C12B 1.3900 . ?
C12B H12B 0.9500 . ?
C12B C13B 1.3900 . ?
C13B C14B 1.489(10) . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B C16B 1.3900 . ?
C15B C20B 1.3900 . ?
C16B H16B 0.9500 . ?
C16B C17B 1.3900 . ?
C17B H17B 0.9500 . ?
C17B C18B 1.3900 . ?
C18B H18B 0.9500 . ?
C18B C19B 1.3900 . ?
C19B H19B 0.9500 . ?
C19B C20B 1.3900 . ?
C20B C21B 1.412(15) . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B C23B 1.396(18) . ?
C22B C27B 1.362(18) . ?
C22B P2B 1.820(14) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.43(3) . ?
C24B H24B 0.9500 . ?
C24B C25B 1.36(3) . ?
C25B H25B 0.9500 . ?
C25B C26B 1.40(2) . ?
C26B H26B 0.9500 . ?
C26B C27B 1.41(2) . ?
C27B C28B 1.48(3) . ?
C28B H28C 0.9900 . ?
C28B H28D 0.9900 . ?
C28B Pd2B 2.039(15) . ?
C29B C30B 1.3900 . ?
C29B C34B 1.3900 . ?
C29B P2B 1.814(7) . ?
C30B H30B 0.9500 . ?
C30B C31B 1.3900 . ?
C31B H31B 0.9500 . ?
C31B C32B 1.3900 . ?
C32B H32B 0.9500 . ?
C32B C33B 1.3900 . ?
C33B H33B 0.9500 . ?
C33B C34B 1.3900 . ?
C34B C35B 1.49(5) . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36B C37B 1.449(19) . ?
C36B C41B 1.39(2) . ?
C36B P2B 1.829(13) . ?
C37B H37B 0.9500 . ?
C37B C38B 1.368(19) . ?
C38B H38B 0.9500 . ?
C38B C39B 1.35(3) . ?
C39B H39B 0.9500 . ?
C39B C40B 1.35(3) . ?
C40B H40B 0.9500 . ?
C40B C41B 1.36(2) . ?
C41B C42B 1.47(2) . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C43B C44B 1.401(14) . ?
C43B C48B 1.353(19) . ?
C43B P3B 1.829(11) . ?
C44B H44B 0.9500 . ?
C44B C45B 1.391(18) . ?
C45B H45B 0.9500 . ?
C45B C46B 1.38(2) . ?
C46B H46B 0.9500 . ?
C46B C47B 1.375(16) . ?
C47B H47B 0.9500 . ?
C47B C48B 1.378(16) . ?
C48B C49B 1.476(19) . ?
C49B H49C 0.9900 . ?
C49B H49D 0.9900 . ?
C49B Pd3B 2.037(15) . ?
C50B C51B 1.367(15) . ?
C50B C55B 1.379(16) . ?
C50B P3B 1.841(11) . ?
C51B H51B 0.9500 . ?
C51B C52B 1.386(17) . ?
C52B H52B 0.9500 . ?
C52B C53B 1.39(2) . ?
C53B H53B 0.9500 . ?
C53B C54B 1.35(2) . ?
C54B H54B 0.9500 . ?
C54B C55B 1.409(17) . ?
C55B C56B 1.48(2) . ?
C56B H56D 0.9800 . ?
C56B H56E 0.9800 . ?
C56B H56F 0.9800 . ?
C57B C58B 1.398(19) . ?
C57B C62B 1.38(3) . ?
C57B P3B 1.807(14) . ?
C58B H58B 0.9500 . ?
C58B C59B 1.35(3) . ?
C59B H59B 0.9500 . ?
C59B C60B 1.27(4) . ?
C60B H60B 0.9500 . ?
C60B C61B 1.373(18) . ?
C61B H61B 0.9500 . ?
C61B C62B 1.48(4) . ?
C62B C63B 1.46(3) . ?
C63B H63D 0.9800 . ?
C63B H63E 0.9800 . ?
C63B H63F 0.9800 . ?
F1B Pd2B 2.07(2) . ?
F1B Pd3B 2.09(3) . ?
P2B Pd2B 2.209(4) . ?
P3B Pd3B 2.215(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 B1 O2 118.9(5) . . ?
O1 B1 O3 127.0(5) . . ?
O2 B1 O3 114.0(5) . . ?
O4 B2 O3 117.6(4) . . ?
O4 B2 O5 120.7(4) . . ?
O5 B2 O3 121.7(4) . . ?
C2 C1 C6 120.7(4) . . ?
C2 C1 P1 127.6(4) . . ?
C6 C1 P1 111.6(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.7(5) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.4(5) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.5(5) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C7 118.8(4) . . ?
C5 C6 C1 118.6(4) . . ?
C5 C6 C7 122.6(4) . . ?
C6 C7 H7A 108.3 . . ?
C6 C7 H7B 108.3 . . ?
C6 C7 Pd1 116.0(3) . . ?
H7A C7 H7B 107.4 . . ?
Pd1 C7 H7A 108.3 . . ?
Pd1 C7 H7B 108.3 . . ?
B1 O1 Pd4 119.8(3) . . ?
B1 O1 Pd3A 150.0(3) . . ?
B1 O1 Pd3B 139.7(3) . . ?
Pd4 O1 Pd3A 90.25(13) . . ?
Pd4 O1 Pd3B 100.26(15) . . ?
B2 O3 B1 132.3(4) . . ?
B2 O4 Pd4 132.5(3) . 2_666 ?
B2 O4 Pd4 127.7(3) . . ?
Pd4 O4 Pd4 99.73(14) . 2_666 ?
B2 O5 Pd1 106.6(3) . 2_666 ?
B2 O5 Pd2A 108.2(3) . 2_666 ?
B2 O5 Pd2B 109.5(3) . 2_666 ?
Pd1 O5 Pd2B 85.46(12) 2_666 2_666 ?
Pd2A O5 Pd1 95.68(13) 2_666 2_666 ?
Pd2A O5 Pd2B 10.38(6) 2_666 2_666 ?
C1 P1 Pd1 103.72(14) . . ?
C1 P1 C15A 109.2(6) . . ?
C1 P1 C8B 110.4(10) . . ?
C8A P1 C1 111.1(11) . . ?
C8A P1 Pd1 110.1(9) . . ?
C8A P1 C15A 110.1(12) . . ?
C15A P1 Pd1 112.5(5) . . ?
C8B P1 Pd1 117.6(8) . . ?
C15B P1 C1 105.5(5) . . ?
C15B P1 Pd1 119.4(4) . . ?
C15B P1 C8B 99.6(11) . . ?
C7 Pd1 O5 174.18(17) . 2_666 ?
C7 Pd1 P1 83.77(14) . . ?
C7 Pd1 Pd4 94.93(15) . . ?
C7 Pd1 Pd2A 137.18(14) . . ?
C7 Pd1 F1B 89.1(6) . . ?
C7 Pd1 Pd2B 128.17(14) . . ?
O5 Pd1 P1 100.13(9) 2_666 . ?
O5 Pd1 Pd4 79.29(8) 2_666 . ?
O5 Pd1 Pd2A 40.43(8) 2_666 . ?
O5 Pd1 Pd2B 49.34(8) 2_666 . ?
P1 Pd1 Pd4 138.61(3) . . ?
P1 Pd1 Pd2A 137.02(4) . . ?
P1 Pd1 Pd2B 145.27(4) . . ?
Pd4 Pd1 Pd2A 64.30(3) . . ?
Pd4 Pd1 Pd2B 61.04(4) . . ?
F1A Pd1 C7 97.8(7) . . ?
F1A Pd1 O5 78.3(7) . 2_666 ?
F1A Pd1 P1 178.5(7) . . ?
F1A Pd1 Pd4 41.3(9) . . ?
F1A Pd1 Pd2A 41.5(6) . . ?
F1B Pd1 P1 172.3(5) . . ?
F1B Pd1 Pd4 39.1(9) . . ?
F1B Pd1 Pd2B 42.4(5) . . ?
O1 Pd4 O4 175.83(12) . 2_666 ?
O1 Pd4 Pd1 112.25(9) . . ?
O1 Pd4 Pd4 136.10(9) . 2_666 ?
O1 Pd4 F1A 91.1(7) . . ?
O1 Pd4 Pd3A 49.38(9) . . ?
O1 Pd4 Pd2B 108.51(10) . . ?
O1 Pd4 Pd3B 41.03(9) . . ?
O4 Pd4 O1 95.56(13) . . ?
O4 Pd4 O4 80.27(14) . 2_666 ?
O4 Pd4 Pd1 135.67(11) . . ?
O4 Pd4 Pd1 71.18(10) 2_666 . ?
O4 Pd4 Pd4 40.54(9) . 2_666 ?
O4 Pd4 Pd4 39.73(9) 2_666 2_666 ?
O4 Pd4 F1A 93.1(7) 2_666 . ?
O4 Pd4 F1A 173.3(7) . . ?
O4 Pd4 Pd3A 134.79(9) 2_666 . ?
O4 Pd4 Pd3A 144.94(10) . . ?
O4 Pd4 Pd2B 75.16(11) 2_666 . ?
O4 Pd4 Pd2B 142.97(13) . . ?
O4 Pd4 Pd3B 143.12(9) 2_666 . ?
O4 Pd4 Pd3B 136.32(10) . . ?
Pd1 Pd4 Pd3A 70.66(3) . . ?
Pd1 Pd4 Pd2B 59.50(4) . . ?
Pd1 Pd4 Pd3B 75.97(3) . . ?
Pd4 Pd4 Pd1 104.544(14) 2_666 . ?
Pd4 Pd4 Pd3A 174.50(3) 2_666 . ?
Pd4 Pd4 Pd2B 110.41(3) 2_666 . ?
Pd4 Pd4 Pd3B 175.24(3) 2_666 . ?
F1A Pd4 Pd1 41.0(8) . . ?
F1A Pd4 Pd4 132.8(7) . 2_666 ?
F1A Pd4 Pd3A 41.7(7) . . ?
F1B Pd4 O1 81.8(7) . . ?
F1B Pd4 O4 176.3(6) . . ?
F1B Pd4 Pd1 44.3(8) . . ?
F1B Pd4 Pd2B 40.7(6) . . ?
F1B Pd4 Pd3B 40.8(7) . . ?
Pd2B Pd4 Pd3B 74.01(3) . . ?
C9A C8A P1 116.7(18) . . ?
C9A C8A C13A 120.0 . . ?
C13A C8A P1 123.2(18) . . ?
C8A C9A H9A 120.0 . . ?
C8A C9A C10A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C11A C12A C13A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C8A C13A C14A 124(5) . . ?
C12A C13A C8A 120.0 . . ?
C12A C13A C14A 116(5) . . ?
C13A C14A H14A 109.5 . . ?
C13A C14A H14B 109.5 . . ?
C13A C14A H14C 109.5 . . ?
H14A C14A H14B 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C16A C15A P1 113.8(11) . . ?
C16A C15A C20A 120.6(10) . . ?
C20A C15A P1 125.5(11) . . ?
C15A C16A H16A 121.5 . . ?
C15A C16A C17A 117.0(12) . . ?
C17A C16A H16A 121.5 . . ?
C16A C17A H17A 119.8 . . ?
C18A C17A C16A 120.3(14) . . ?
C18A C17A H17A 119.8 . . ?
C17A C18A H18A 119.2 . . ?
C17A C18A C19A 121.6(15) . . ?
C19A C18A H18A 119.2 . . ?
C18A C19A H19A 120.5 . . ?
C20A C19A C18A 119.0(17) . . ?
C20A C19A H19A 120.5 . . ?
C15A C20A C21A 121.8(11) . . ?
C19A C20A C15A 121.4(14) . . ?
C19A C20A C21A 116.8(13) . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
C20A C21A H21C 109.5 . . ?
H21A C21A H21B 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C23A C22A P2A 124.8(10) . . ?
C27A C22A C23A 120.1(13) . . ?
C27A C22A P2A 115.1(11) . . ?
C22A C23A H23A 121.8 . . ?
C24A C23A C22A 116.4(14) . . ?
C24A C23A H23A 121.8 . . ?
C23A C24A H24A 118.1 . . ?
C25A C24A C23A 123.8(18) . . ?
C25A C24A H24A 118.1 . . ?
C24A C25A H25A 118.4 . . ?
C24A C25A C26A 123.3(15) . . ?
C26A C25A H25A 118.4 . . ?
C25A C26A H26A 121.5 . . ?
C27A C26A C25A 117.1(15) . . ?
C27A C26A H26A 121.5 . . ?
C22A C27A C28A 115.2(15) . . ?
C26A C27A C22A 119.3(16) . . ?
C26A C27A C28A 125.4(15) . . ?
C27A C28A H28A 107.4 . . ?
C27A C28A H28B 107.4 . . ?
C27A C28A Pd2A 119.5(10) . . ?
H28A C28A H28B 107.0 . . ?
Pd2A C28A H28A 107.4 . . ?
Pd2A C28A H28B 107.4 . . ?
C30A C29A C34A 120.0 . . ?
C30A C29A P2A 115.4(6) . . ?
C34A C29A P2A 124.5(6) . . ?
C29A C30A H30A 120.0 . . ?
C31A C30A C29A 120.0 . . ?
C31A C30A H30A 120.0 . . ?
C30A C31A H31A 120.0 . . ?
C32A C31A C30A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C29A C34A C35A 117.6(19) . . ?
C33A C34A C29A 120.0 . . ?
C33A C34A C35A 122.4(19) . . ?
C34A C35A H35A 109.5 . . ?
C34A C35A H35B 109.5 . . ?
C34A C35A H35C 109.5 . . ?
H35A C35A H35B 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C37A C36A P2A 113.4(11) . . ?
C41A C36A C37A 125.1(14) . . ?
C41A C36A P2A 121.1(10) . . ?
C36A C37A H37A 121.3 . . ?
C36A C37A C38A 117.5(15) . . ?
C38A C37A H37A 121.3 . . ?
C37A C38A H38A 121.7 . . ?
C39A C38A C37A 116.6(15) . . ?
C39A C38A H38A 121.7 . . ?
C38A C39A H39A 117.6 . . ?
C38A C39A C40A 124.8(17) . . ?
C40A C39A H39A 117.6 . . ?
C39A C40A H40A 119.9 . . ?
C39A C40A C41A 120.1(18) . . ?
C41A C40A H40A 119.9 . . ?
C36A C41A C40A 115.7(15) . . ?
C36A C41A C42A 125.2(13) . . ?
C40A C41A C42A 119.1(14) . . ?
C41A C42A H42A 109.5 . . ?
C41A C42A H42B 109.5 . . ?
C41A C42A H42C 109.5 . . ?
H42A C42A H42B 109.5 . . ?
H42A C42A H42C 109.5 . . ?
H42B C42A H42C 109.5 . . ?
C44A C43A P3A 128.2(10) . . ?
C48A C43A C44A 119.5(11) . . ?
C48A C43A P3A 112.3(8) . . ?
C43A C44A H44A 120.2 . . ?
C45A C44A C43A 119.6(12) . . ?
C45A C44A H44A 120.2 . . ?
C44A C45A H45A 119.7 . . ?
C44A C45A C46A 120.7(11) . . ?
C46A C45A H45A 119.7 . . ?
C45A C46A H46A 120.1 . . ?
C45A C46A C47A 119.8(12) . . ?
C47A C46A H46A 120.1 . . ?
C46A C47A H47A 119.9 . . ?
C48A C47A C46A 120.2(12) . . ?
C48A C47A H47A 119.9 . . ?
C43A C48A C47A 120.0(11) . . ?
C43A C48A C49A 117.0(10) . . ?
C47A C48A C49A 123.1(11) . . ?
C48A C49A H49A 109.2 . . ?
C48A C49A H49B 109.2 . . ?
C48A C49A Pd3A 111.9(9) . . ?
H49A C49A H49B 107.9 . . ?
Pd3A C49A H49A 109.2 . . ?
Pd3A C49A H49B 109.2 . . ?
C51A C50A P3A 117.7(9) . . ?
C55A C50A C51A 120.4(11) . . ?
C55A C50A P3A 121.8(9) . . ?
C50A C51A H51A 119.6 . . ?
C52A C51A C50A 120.7(12) . . ?
C52A C51A H51A 119.6 . . ?
C51A C52A H52A 121.1 . . ?
C53A C52A C51A 117.8(12) . . ?
C53A C52A H52A 121.1 . . ?
C52A C53A H53A 118.8 . . ?
C52A C53A C54A 122.4(13) . . ?
C54A C53A H53A 118.8 . . ?
C53A C54A H54A 120.4 . . ?
C53A C54A C55A 119.1(13) . . ?
C55A C54A H54A 120.4 . . ?
C50A C55A C54A 119.4(12) . . ?
C50A C55A C56A 123.9(13) . . ?
C54A C55A C56A 116.7(14) . . ?
C55A C56A H56A 109.5 . . ?
C55A C56A H56B 109.5 . . ?
C55A C56A H56C 109.5 . . ?
H56A C56A H56B 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
C58A C57A C62A 117.6(18) . . ?
C58A C57A P3A 120.3(12) . . ?
C62A C57A P3A 122.0(14) . . ?
C57A C58A H58A 119.7 . . ?
C59A C58A C57A 121(2) . . ?
C59A C58A H58A 119.7 . . ?
C58A C59A H59A 119.8 . . ?
C58A C59A C60A 120.3(17) . . ?
C60A C59A H59A 119.8 . . ?
C59A C60A H60A 122.8 . . ?
C61A C60A C59A 114(2) . . ?
C61A C60A H60A 122.8 . . ?
C60A C61A H61A 117.5 . . ?
C62A C61A C60A 125(3) . . ?
C62A C61A H61A 117.5 . . ?
C57A C62A C63A 120(3) . . ?
C61A C62A C57A 122(2) . . ?
C61A C62A C63A 118(3) . . ?
C62A C63A H63A 109.5 . . ?
C62A C63A H63B 109.5 . . ?
C62A C63A H63C 109.5 . . ?
H63A C63A H63B 109.5 . . ?
H63A C63A H63C 109.5 . . ?
H63B C63A H63C 109.5 . . ?
Pd1 F1A Pd4 97.7(13) . . ?
Pd1 F1A Pd2A 98.7(10) . . ?
Pd1 F1A Pd3A 120.6(13) . . ?
Pd4 F1A Pd2A 105.5(14) . . ?
Pd4 F1A Pd3A 97.1(10) . . ?
Pd3A F1A Pd2A 131.2(14) . . ?
C22A P2A C29A 101.2(6) . . ?
C22A P2A C36A 109.6(6) . . ?
C22A P2A Pd2A 103.5(4) . . ?
C29A P2A C36A 107.7(5) . . ?
C29A P2A Pd2A 120.8(4) . . ?
C36A P2A Pd2A 113.0(4) . . ?
C43A P3A C50A 105.4(5) . . ?
C43A P3A C57A 105.8(6) . . ?
C43A P3A Pd3A 101.1(4) . . ?
C50A P3A Pd3A 119.3(4) . . ?
C57A P3A C50A 105.3(6) . . ?
C57A P3A Pd3A 118.2(5) . . ?
O5 Pd2A Pd1 43.89(9) 2_666 . ?
O5 Pd2A F1A 79.9(8) 2_666 . ?
O5 Pd2A P2A 104.03(13) 2_666 . ?
C28A Pd2A O5 171.2(4) . 2_666 ?
C28A Pd2A Pd1 128.2(4) . . ?
C28A Pd2A F1A 91.4(9) . . ?
C28A Pd2A P2A 84.7(4) . . ?
F1A Pd2A Pd1 39.8(8) . . ?
F1A Pd2A P2A 175.5(9) . . ?
P2A Pd2A Pd1 143.06(11) . . ?
O1 Pd3A Pd4 40.37(8) . . ?
C49A Pd3A O1 170.3(4) . . ?
C49A Pd3A Pd4 130.0(4) . . ?
C49A Pd3A F1A 88.9(9) . . ?
C49A Pd3A P3A 81.5(4) . . ?
F1A Pd3A O1 81.5(9) . . ?
F1A Pd3A Pd4 41.2(8) . . ?
F1A Pd3A P3A 170.0(8) . . ?
P3A Pd3A O1 108.11(12) . . ?
P3A Pd3A Pd4 148.46(10) . . ?
C9B C8B P1 119.1(17) . . ?
C9B C8B C13B 120.0 . . ?
C13B C8B P1 120.0(17) . . ?
C8B C9B H9B 120.0 . . ?
C8B C9B C10B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C9B C10B H10B 120.0 . . ?
C11B C10B C9B 120.0 . . ?
C11B C10B H10B 120.0 . . ?
C10B C11B H11B 120.0 . . ?
C10B C11B C12B 120.0 . . ?
C12B C11B H11B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C13B C12B C11B 120.0 . . ?
C13B C12B H12B 120.0 . . ?
C8B C13B C14B 121(5) . . ?
C12B C13B C8B 120.0 . . ?
C12B C13B C14B 119(5) . . ?
C13B C14B H14D 109.5 . . ?
C13B C14B H14E 109.5 . . ?
C13B C14B H14F 109.5 . . ?
H14D C14B H14E 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C16B C15B P1 116.7(6) . . ?
C16B C15B C20B 120.0 . . ?
C20B C15B P1 123.2(6) . . ?
C15B C16B H16B 120.0 . . ?
C17B C16B C15B 120.0 . . ?
C17B C16B H16B 120.0 . . ?
C16B C17B H17B 120.0 . . ?
C16B C17B C18B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C17B C18B H18B 120.0 . . ?
C19B C18B C17B 120.0 . . ?
C19B C18B H18B 120.0 . . ?
C18B C19B H19B 120.0 . . ?
C18B C19B C20B 120.0 . . ?
C20B C19B H19B 120.0 . . ?
C15B C20B C21B 122.3(9) . . ?
C19B C20B C15B 120.0 . . ?
C19B C20B C21B 117.5(9) . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21E 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C23B C22B P2B 124.1(12) . . ?
C27B C22B C23B 123.5(16) . . ?
C27B C22B P2B 111.9(12) . . ?
C22B C23B H23B 120.2 . . ?
C22B C23B C24B 119.7(15) . . ?
C24B C23B H23B 120.2 . . ?
C23B C24B H24B 122.1 . . ?
C25B C24B C23B 115.8(17) . . ?
C25B C24B H24B 122.1 . . ?
C24B C25B H25B 117.6 . . ?
C24B C25B C26B 124.8(15) . . ?
C26B C25B H25B 117.6 . . ?
C25B C26B H26B 120.6 . . ?
C25B C26B C27B 118.8(13) . . ?
C27B C26B H26B 120.6 . . ?
C22B C27B C26B 117.4(16) . . ?
C22B C27B C28B 119.9(16) . . ?
C26B C27B C28B 122.6(12) . . ?
C27B C28B H28C 108.2 . . ?
C27B C28B H28D 108.2 . . ?
C27B C28B Pd2B 116.6(9) . . ?
H28C C28B H28D 107.3 . . ?
Pd2B C28B H28C 108.2 . . ?
Pd2B C28B H28D 108.2 . . ?
C30B C29B C34B 120.0 . . ?
C30B C29B P2B 121.0(6) . . ?
C34B C29B P2B 119.0(6) . . ?
C29B C30B H30B 120.0 . . ?
C29B C30B C31B 120.0 . . ?
C31B C30B H30B 120.0 . . ?
C30B C31B H31B 120.0 . . ?
C32B C31B C30B 120.0 . . ?
C32B C31B H31B 120.0 . . ?
C31B C32B H32B 120.0 . . ?
C31B C32B C33B 120.0 . . ?
C33B C32B H32B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B C32B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
C29B C34B C35B 126.6(19) . . ?
C33B C34B C29B 120.0 . . ?
C33B C34B C35B 113.3(19) . . ?
C34B C35B H35D 109.5 . . ?
C34B C35B H35E 109.5 . . ?
C34B C35B H35F 109.5 . . ?
H35D C35B H35E 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C37B C36B P2B 115.6(10) . . ?
C41B C36B C37B 117.8(13) . . ?
C41B C36B P2B 125.5(10) . . ?
C36B C37B H37B 121.1 . . ?
C38B C37B C36B 117.8(14) . . ?
C38B C37B H37B 121.1 . . ?
C37B C38B H38B 118.1 . . ?
C39B C38B C37B 123.8(16) . . ?
C39B C38B H38B 118.1 . . ?
C38B C39B H39B 121.5 . . ?
C38B C39B C40B 117.1(18) . . ?
C40B C39B H39B 121.5 . . ?
C39B C40B H40B 117.7 . . ?
C39B C40B C41B 124.7(19) . . ?
C41B C40B H40B 117.7 . . ?
C36B C41B C42B 123.6(13) . . ?
C40B C41B C36B 118.6(15) . . ?
C40B C41B C42B 117.7(15) . . ?
C41B C42B H42D 109.5 . . ?
C41B C42B H42E 109.5 . . ?
C41B C42B H42F 109.5 . . ?
H42D C42B H42E 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C44B C43B P3B 124.9(9) . . ?
C48B C43B C44B 122.3(11) . . ?
C48B C43B P3B 112.7(8) . . ?
C43B C44B H44B 120.7 . . ?
C45B C44B C43B 118.6(12) . . ?
C45B C44B H44B 120.7 . . ?
C44B C45B H45B 120.4 . . ?
C46B C45B C44B 119.3(10) . . ?
C46B C45B H45B 120.4 . . ?
C45B C46B H46B 120.1 . . ?
C47B C46B C45B 119.9(12) . . ?
C47B C46B H46B 120.1 . . ?
C46B C47B H47B 119.0 . . ?
C46B C47B C48B 122.0(12) . . ?
C48B C47B H47B 119.0 . . ?
C43B C48B C47B 117.7(11) . . ?
C43B C48B C49B 118.4(10) . . ?
C47B C48B C49B 123.8(12) . . ?
C48B C49B H49C 108.7 . . ?
C48B C49B H49D 108.7 . . ?
C48B C49B Pd3B 114.3(9) . . ?
H49C C49B H49D 107.6 . . ?
Pd3B C49B H49C 108.7 . . ?
Pd3B C49B H49D 108.7 . . ?
C51B C50B C55B 119.2(11) . . ?
C51B C50B P3B 119.5(9) . . ?
C55B C50B P3B 121.3(9) . . ?
C50B C51B H51B 119.1 . . ?
C50B C51B C52B 121.8(12) . . ?
C52B C51B H51B 119.1 . . ?
C51B C52B H52B 120.8 . . ?
C51B C52B C53B 118.4(12) . . ?
C53B C52B H52B 120.8 . . ?
C52B C53B H53B 119.8 . . ?
C54B C53B C52B 120.4(13) . . ?
C54B C53B H53B 119.8 . . ?
C53B C54B H54B 119.6 . . ?
C53B C54B C55B 120.8(13) . . ?
C55B C54B H54B 119.6 . . ?
C50B C55B C54B 119.1(12) . . ?
C50B C55B C56B 120.6(13) . . ?
C54B C55B C56B 120.0(14) . . ?
C55B C56B H56D 109.5 . . ?
C55B C56B H56E 109.5 . . ?
C55B C56B H56F 109.5 . . ?
H56D C56B H56E 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 109.5 . . ?
C58B C57B P3B 121.0(12) . . ?
C62B C57B C58B 120.4(18) . . ?
C62B C57B P3B 118.4(15) . . ?
C57B C58B H58B 119.1 . . ?
C59B C58B C57B 121.8(19) . . ?
C59B C58B H58B 119.1 . . ?
C58B C59B H59B 120.0 . . ?
C60B C59B C58B 120.0(18) . . ?
C60B C59B H59B 120.0 . . ?
C59B C60B H60B 118.1 . . ?
C59B C60B C61B 124(3) . . ?
C61B C60B H60B 118.1 . . ?
C60B C61B H61B 120.4 . . ?
C60B C61B C62B 119(3) . . ?
C62B C61B H61B 120.4 . . ?
C57B C62B C61B 115(2) . . ?
C57B C62B C63B 126(3) . . ?
C63B C62B C61B 119(3) . . ?
C62B C63B H63D 109.5 . . ?
C62B C63B H63E 109.5 . . ?
C62B C63B H63F 109.5 . . ?
H63D C63B H63E 109.5 . . ?
H63D C63B H63F 109.5 . . ?
H63E C63B H63F 109.5 . . ?
Pd4 F1B Pd1 96.6(13) . . ?
Pd4 F1B Pd2B 101.6(13) . . ?
Pd4 F1B Pd3B 101.8(11) . . ?
Pd2B F1B Pd1 93.0(9) . . ?
Pd2B F1B Pd3B 129.1(15) . . ?
Pd3B F1B Pd1 127.9(13) . . ?
C22B P2B C36B 108.3(6) . . ?
C22B P2B Pd2B 104.0(5) . . ?
C29B P2B C22B 107.3(7) . . ?
C29B P2B C36B 103.0(5) . . ?
C29B P2B Pd2B 118.3(4) . . ?
C36B P2B Pd2B 115.5(4) . . ?
C43B P3B C50B 104.8(5) . . ?
C43B P3B Pd3B 101.0(4) . . ?
C50B P3B Pd3B 117.8(4) . . ?
C57B P3B C43B 106.0(5) . . ?
C57B P3B C50B 107.1(6) . . ?
C57B P3B Pd3B 118.5(5) . . ?
O5 Pd2B Pd1 45.19(8) 2_666 . ?
O5 Pd2B Pd4 76.18(9) 2_666 . ?
Pd1 Pd2B Pd4 59.45(3) . . ?
C28B Pd2B Pd1 134.4(5) . . ?
C28B Pd2B Pd4 99.2(5) . . ?
C28B Pd2B F1B 92.9(9) . . ?
C28B Pd2B P2B 82.9(5) . . ?
F1B Pd2B Pd1 44.5(8) . . ?
F1B Pd2B Pd4 37.7(9) . . ?
F1B Pd2B P2B 175.6(8) . . ?
P2B Pd2B Pd1 139.89(12) . . ?
P2B Pd2B Pd4 141.56(14) . . ?
O1 Pd3B Pd4 38.70(9) . . ?
O1 Pd3B F1B 76.0(9) . . ?
O1 Pd3B P3B 112.76(15) . . ?
C49B Pd3B O1 164.8(3) . . ?
C49B Pd3B Pd4 126.5(3) . . ?
C49B Pd3B F1B 89.1(9) . . ?
C49B Pd3B P3B 82.0(3) . . ?
F1B Pd3B Pd4 37.4(9) . . ?
F1B Pd3B P3B 170.7(8) . . ?
P3B Pd3B Pd4 151.47(12) . . ?

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
C1 C2 C3 C4 -0.9(8) . . . . ?
C1 C6 C7 Pd1 21.0(6) . . . . ?
C1 P1 C8A C9A -137.9(14) . . . . ?
C1 P1 C8A C13A 39.7(14) . . . . ?
C1 P1 C15A C16A -111.6(12) . . . . ?
C1 P1 C15A C20A 65.4(16) . . . . ?
C1 P1 C15B C16B 43.8(9) . . . . ?
C1 P1 C15B C20B -133.9(8) . . . . ?
C2 C1 C6 C5 0.3(6) . . . . ?
C2 C1 C6 C7 -178.5(4) . . . . ?
C2 C1 P1 Pd1 161.4(4) . . . . ?
C2 C1 P1 C8A 43.2(11) . . . . ?
C2 C1 P1 C15A -78.5(7) . . . . ?
C2 C1 P1 C8B 34.5(10) . . . . ?
C2 C1 P1 C15B -72.2(7) . . . . ?
C2 C3 C4 C5 0.6(8) . . . . ?
C3 C4 C5 C6 0.1(8) . . . . ?
C4 C5 C6 C1 -0.6(7) . . . . ?
C4 C5 C6 C7 178.2(5) . . . . ?
C5 C6 C7 Pd1 -157.8(4) . . . . ?
C6 C1 C2 C3 0.5(7) . . . . ?
C6 C1 P1 Pd1 -14.1(3) . . . . ?
C6 C1 P1 C8A -132.3(10) . . . . ?
C6 C1 P1 C15A 106.0(7) . . . . ?
C6 C1 P1 C8B -141.0(9) . . . . ?
C6 C1 P1 C15B 112.3(6) . . . . ?
O1 B1 O3 B2 -2.4(10) . . . . ?
O2 B1 O1 Pd4 -176.5(4) . . . . ?
O2 B1 O1 Pd3A 3.6(11) . . . . ?
O2 B1 O1 Pd3B 11.3(9) . . . . ?
O2 B1 O3 B2 175.0(5) . . . . ?
O3 B1 O1 Pd4 0.8(8) . . . . ?
O3 B1 O1 Pd3A -179.1(3) . . . . ?
O3 B1 O1 Pd3B -171.4(4) . . . . ?
O3 B2 O4 Pd4 179.3(3) . . . 2_666 ?
O3 B2 O4 Pd4 -3.3(6) . . . . ?
O3 B2 O5 Pd1 133.5(4) . . . 2_666 ?
O3 B2 O5 Pd2A -124.6(4) . . . 2_666 ?
O3 B2 O5 Pd2B -135.5(4) . . . 2_666 ?
O4 B2 O3 B1 3.6(8) . . . . ?
O4 B2 O5 Pd1 -46.2(5) . . . 2_666 ?
O4 B2 O5 Pd2A 55.7(5) . . . 2_666 ?
O4 B2 O5 Pd2B 44.8(5) . . . 2_666 ?
O5 B2 O3 B1 -176.1(5) . . . . ?
O5 B2 O4 Pd4 -1.0(7) . . . 2_666 ?
O5 B2 O4 Pd4 176.4(3) . . . . ?
P1 C1 C2 C3 -174.7(4) . . . . ?
P1 C1 C6 C5 176.1(3) . . . . ?
P1 C1 C6 C7 -2.6(5) . . . . ?
P1 C8A C9A C10A 178(2) . . . . ?
P1 C8A C13A C12A -177(2) . . . . ?
P1 C8A C13A C14A 13(5) . . . . ?
P1 C15A C16A C17A 178.7(13) . . . . ?
P1 C15A C20A C19A -179(2) . . . . ?
P1 C15A C20A C21A 3(2) . . . . ?
P1 C8B C9B C10B -169(2) . . . . ?
P1 C8B C13B C12B 169(2) . . . . ?
P1 C8B C13B C14B -14(5) . . . . ?
P1 C15B C16B C17B -177.8(13) . . . . ?
P1 C15B C20B C19B 177.6(14) . . . . ?
P1 C15B C20B C21B -8.4(13) . . . . ?
Pd1 P1 C8A C9A 107.8(16) . . . . ?
Pd1 P1 C8A C13A -74.7(14) . . . . ?
Pd1 P1 C15A C16A 3.0(15) . . . . ?
Pd1 P1 C15A C20A -180.0(13) . . . . ?
Pd1 P1 C15B C16B 159.8(6) . . . . ?
Pd1 P1 C15B C20B -17.9(12) . . . . ?
C8A P1 C15A C16A 126.1(16) . . . . ?
C8A P1 C15A C20A -56.8(19) . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C8A C13A C12A 0.0 . . . . ?
C9A C8A C13A C14A -170(5) . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C11A C12A C13A 0.0 . . . . ?
C11A C12A C13A C8A 0.0 . . . . ?
C11A C12A C13A C14A 171(5) . . . . ?
C13A C8A C9A C10A 0.0 . . . . ?
C15A P1 C8A C9A -17(2) . . . . ?
C15A P1 C8A C13A 160.8(12) . . . . ?
C15A C16A C17A C18A -1(2) . . . . ?
C16A C15A C20A C19A -3(3) . . . . ?
C16A C15A C20A C21A 179.8(16) . . . . ?
C16A C17A C18A C19A 1(3) . . . . ?
C17A C18A C19A C20A -2(3) . . . . ?
C18A C19A C20A C15A 3(3) . . . . ?
C18A C19A C20A C21A -179.4(19) . . . . ?
C20A C15A C16A C17A 2(2) . . . . ?
C22A C23A C24A C25A 2(3) . . . . ?
C22A C27A C28A Pd2A -13(3) . . . . ?
C23A C22A C27A C26A 3(3) . . . . ?
C23A C22A C27A C28A 179.4(15) . . . . ?
C23A C22A P2A C29A -44.1(13) . . . . ?
C23A C22A P2A C36A 69.4(13) . . . . ?
C23A C22A P2A Pd2A -169.8(11) . . . . ?
C23A C24A C25A C26A -3(4) . . . . ?
C24A C25A C26A C27A 3(4) . . . . ?
C25A C26A C27A C22A -3(3) . . . . ?
C25A C26A C27A C28A -180(2) . . . . ?
C26A C27A C28A Pd2A 163.7(17) . . . . ?
C27A C22A C23A C24A -2(3) . . . . ?
C27A C22A P2A C29A 132.7(14) . . . . ?
C27A C22A P2A C36A -113.9(14) . . . . ?
C27A C22A P2A Pd2A 7.0(14) . . . . ?
C29A C30A C31A C32A 0.0 . . . . ?
C30A C29A C34A C33A 0.0 . . . . ?
C30A C29A C34A C35A -177.8(17) . . . . ?
C30A C29A P2A C22A 102.0(8) . . . . ?
C30A C29A P2A C36A -12.8(9) . . . . ?
C30A C29A P2A Pd2A -144.8(6) . . . . ?
C30A C31A C32A C33A 0.0 . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C32A C33A C34A C29A 0.0 . . . . ?
C32A C33A C34A C35A 177.6(17) . . . . ?
C34A C29A C30A C31A 0.0 . . . . ?
C34A C29A P2A C22A -75.3(9) . . . . ?
C34A C29A P2A C36A 169.8(8) . . . . ?
C34A C29A P2A Pd2A 37.9(10) . . . . ?
C36A C37A C38A C39A -4(2) . . . . ?
C37A C36A C41A C40A -2.1(19) . . . . ?
C37A C36A C41A C42A -179.2(13) . . . . ?
C37A C36A P2A C22A 13.0(11) . . . . ?
C37A C36A P2A C29A 122.2(9) . . . . ?
C37A C36A P2A Pd2A -101.8(9) . . . . ?
C37A C38A C39A C40A 5(3) . . . . ?
C38A C39A C40A C41A -4(3) . . . . ?
C39A C40A C41A C36A 3(2) . . . . ?
C39A C40A C41A C42A 179.9(15) . . . . ?
C41A C36A C37A C38A 2.8(19) . . . . ?
C41A C36A P2A C22A -174.2(10) . . . . ?
C41A C36A P2A C29A -65.0(12) . . . . ?
C41A C36A P2A Pd2A 71.0(11) . . . . ?
C43A C44A C45A C46A -2.8(19) . . . . ?
C43A C48A C49A Pd3A 32.3(13) . . . . ?
C44A C43A C48A C47A -1.9(16) . . . . ?
C44A C43A C48A C49A 177.6(11) . . . . ?
C44A C43A P3A C50A -79.0(11) . . . . ?
C44A C43A P3A C57A 32.3(11) . . . . ?
C44A C43A P3A Pd3A 156.1(9) . . . . ?
C44A C45A C46A C47A -1.2(19) . . . . ?
C45A C46A C47A C48A 3.8(18) . . . . ?
C46A C47A C48A C43A -2.2(17) . . . . ?
C46A C47A C48A C49A 178.4(12) . . . . ?
C47A C48A C49A Pd3A -148.3(9) . . . . ?
C48A C43A C44A C45A 4.4(17) . . . . ?
C48A C43A P3A C50A 101.4(8) . . . . ?
C48A C43A P3A C57A -147.3(8) . . . . ?
C48A C43A P3A Pd3A -23.5(8) . . . . ?
C50A C51A C52A C53A 4(2) . . . . ?
C51A C50A C55A C54A 1(2) . . . . ?
C51A C50A C55A C56A 178.6(17) . . . . ?
C51A C50A P3A C43A 16.0(11) . . . . ?
C51A C50A P3A C57A -95.6(10) . . . . ?
C51A C50A P3A Pd3A 128.6(8) . . . . ?
C51A C52A C53A C54A -4(2) . . . . ?
C52A C53A C54A C55A 2(2) . . . . ?
C53A C54A C55A C50A -1(2) . . . . ?
C53A C54A C55A C56A -179.0(17) . . . . ?
C55A C50A C51A C52A -2.0(19) . . . . ?
C55A C50A P3A C43A -159.8(11) . . . . ?
C55A C50A P3A C57A 88.5(11) . . . . ?
C55A C50A P3A Pd3A -47.3(12) . . . . ?
C57A C58A C59A C60A 0(3) . . . . ?
C58A C57A C62A C61A -7(3) . . . . ?
C58A C57A C62A C63A -178(2) . . . . ?
C58A C57A P3A C43A -123.8(13) . . . . ?
C58A C57A P3A C50A -12.5(14) . . . . ?
C58A C57A P3A Pd3A 123.9(12) . . . . ?
C58A C59A C60A C61A -2(4) . . . . ?
C59A C60A C61A C62A -1(4) . . . . ?
C60A C61A C62A C57A 6(4) . . . . ?
C60A C61A C62A C63A 177(3) . . . . ?
C62A C57A C58A C59A 4(3) . . . . ?
C62A C57A P3A C43A 58.7(15) . . . . ?
C62A C57A P3A C50A 170.1(14) . . . . ?
C62A C57A P3A Pd3A -53.6(15) . . . . ?
P2A C22A C23A C24A 174.7(14) . . . . ?
P2A C22A C27A C26A -174.3(15) . . . . ?
P2A C22A C27A C28A 3(2) . . . . ?
P2A C29A C30A C31A -177.5(10) . . . . ?
P2A C29A C34A C33A 177.2(11) . . . . ?
P2A C29A C34A C35A -0.5(17) . . . . ?
P2A C36A C37A C38A 175.3(10) . . . . ?
P2A C36A C41A C40A -174.0(9) . . . . ?
P2A C36A C41A C42A 8.9(19) . . . . ?
P3A C43A C44A C45A -175.1(9) . . . . ?
P3A C43A C48A C47A 177.8(9) . . . . ?
P3A C43A C48A C49A -2.8(13) . . . . ?
P3A C50A C51A C52A -178.0(10) . . . . ?
P3A C50A C55A C54A 176.3(11) . . . . ?
P3A C50A C55A C56A -6(2) . . . . ?
P3A C57A C58A C59A -173.4(17) . . . . ?
P3A C57A C62A C61A 170(2) . . . . ?
P3A C57A C62A C63A -1(3) . . . . ?
C8B P1 C15B C16B -70.7(12) . . . . ?
C8B P1 C15B C20B 111.6(13) . . . . ?
C8B C9B C10B C11B 0.0 . . . . ?
C9B C8B C13B C12B 0.0 . . . . ?
C9B C8B C13B C14B 178(5) . . . . ?
C9B C10B C11B C12B 0.0 . . . . ?
C10B C11B C12B C13B 0.0 . . . . ?
C11B C12B C13B C8B 0.0 . . . . ?
C11B C12B C13B C14B -178(5) . . . . ?
C13B C8B C9B C10B 0.0 . . . . ?
C15B C16B C17B C18B 0.0 . . . . ?
C16B C15B C20B C19B 0.0 . . . . ?
C16B C15B C20B C21B 174.0(15) . . . . ?
C16B C17B C18B C19B 0.0 . . . . ?
C17B C18B C19B C20B 0.0 . . . . ?
C18B C19B C20B C15B 0.0 . . . . ?
C18B C19B C20B C21B -174.3(14) . . . . ?
C20B C15B C16B C17B 0.0 . . . . ?
C22B C23B C24B C25B 1(3) . . . . ?
C22B C27B C28B Pd2B -22(3) . . . . ?
C23B C22B C27B C26B -3(3) . . . . ?
C23B C22B C27B C28B 179.8(15) . . . . ?
C23B C22B P2B C29B -38.1(14) . . . . ?
C23B C22B P2B C36B 72.5(13) . . . . ?
C23B C22B P2B Pd2B -164.2(11) . . . . ?
C23B C24B C25B C26B -1(4) . . . . ?
C24B C25B C26B C27B 0(3) . . . . ?
C25B C26B C27B C22B 2(3) . . . . ?
C25B C26B C27B C28B 179.7(19) . . . . ?
C26B C27B C28B Pd2B 160.9(16) . . . . ?
C27B C22B C23B C24B 1(3) . . . . ?
C27B C22B P2B C29B 134.9(14) . . . . ?
C27B C22B P2B C36B -114.6(14) . . . . ?
C27B C22B P2B Pd2B 8.8(15) . . . . ?
C29B C30B C31B C32B 0.0 . . . . ?
C30B C29B C34B C33B 0.0 . . . . ?
C30B C29B C34B C35B -176(2) . . . . ?
C30B C29B P2B C22B 114.2(9) . . . . ?
C30B C29B P2B C36B 0.0(9) . . . . ?
C30B C29B P2B Pd2B -128.7(7) . . . . ?
C30B C31B C32B C33B 0.0 . . . . ?
C31B C32B C33B C34B 0.0 . . . . ?
C32B C33B C34B C29B 0.0 . . . . ?
C32B C33B C34B C35B 176.7(18) . . . . ?
C34B C29B C30B C31B 0.0 . . . . ?
C34B C29B P2B C22B -63.1(8) . . . . ?
C34B C29B P2B C36B -177.3(7) . . . . ?
C34B C29B P2B Pd2B 54.0(9) . . . . ?
C36B C37B C38B C39B -3(2) . . . . ?
C37B C36B C41B C40B -6.5(19) . . . . ?
C37B C36B C41B C42B 176.2(13) . . . . ?
C37B C36B P2B C22B 3.6(11) . . . . ?
C37B C36B P2B C29B 117.0(10) . . . . ?
C37B C36B P2B Pd2B -112.5(8) . . . . ?
C37B C38B C39B C40B 1(3) . . . . ?
C38B C39B C40B C41B -1(3) . . . . ?
C39B C40B C41B C36B 4(3) . . . . ?
C39B C40B C41B C42B -178.1(17) . . . . ?
C41B C36B C37B C38B 5.9(17) . . . . ?
C41B C36B P2B C22B 171.6(11) . . . . ?
C41B C36B P2B C29B -75.0(12) . . . . ?
C41B C36B P2B Pd2B 55.5(13) . . . . ?
C43B C44B C45B C46B 0.0(18) . . . . ?
C43B C48B C49B Pd3B 30.0(15) . . . . ?
C44B C43B C48B C47B -3.7(16) . . . . ?
C44B C43B C48B C49B 178.0(11) . . . . ?
C44B C43B P3B C50B -78.4(10) . . . . ?
C44B C43B P3B C57B 34.6(11) . . . . ?
C44B C43B P3B Pd3B 158.7(9) . . . . ?
C44B C45B C46B C47B -0.6(19) . . . . ?
C45B C46B C47B C48B -1.0(19) . . . . ?
C46B C47B C48B C43B 3.1(17) . . . . ?
C46B C47B C48B C49B -178.7(13) . . . . ?
C47B C48B C49B Pd3B -148.1(10) . . . . ?
C48B C43B C44B C45B 2.2(16) . . . . ?
C48B C43B P3B C50B 104.9(8) . . . . ?
C48B C43B P3B C57B -142.0(8) . . . . ?
C48B C43B P3B Pd3B -17.9(8) . . . . ?
C50B C51B C52B C53B -5(2) . . . . ?
C51B C50B C55B C54B 1(2) . . . . ?
C51B C50B C55B C56B 175.1(16) . . . . ?
C51B C50B P3B C43B 20.4(12) . . . . ?
C51B C50B P3B C57B -91.9(12) . . . . ?
C51B C50B P3B Pd3B 131.6(9) . . . . ?
C51B C52B C53B C54B 3(2) . . . . ?
C52B C53B C54B C55B 0(2) . . . . ?
C53B C54B C55B C50B -3(2) . . . . ?
C53B C54B C55B C56B -176.5(17) . . . . ?
C55B C50B C51B C52B 2(2) . . . . ?
C55B C50B P3B C43B -157.7(11) . . . . ?
C55B C50B P3B C57B 90.0(12) . . . . ?
C55B C50B P3B Pd3B -46.5(12) . . . . ?
C57B C58B C59B C60B 0(4) . . . . ?
C58B C57B C62B C61B 5(3) . . . . ?
C58B C57B C62B C63B 179(2) . . . . ?
C58B C57B P3B C43B -118.2(13) . . . . ?
C58B C57B P3B C50B -6.7(14) . . . . ?
C58B C57B P3B Pd3B 129.5(12) . . . . ?
C58B C59B C60B C61B 0(5) . . . . ?
C59B C60B C61B C62B 3(5) . . . . ?
C60B C61B C62B C57B -6(3) . . . . ?
C60B C61B C62B C63B 180(3) . . . . ?
C62B C57B C58B C59B -3(3) . . . . ?
C62B C57B P3B C43B 66.6(15) . . . . ?
C62B C57B P3B C50B 178.1(14) . . . . ?
C62B C57B P3B Pd3B -45.7(15) . . . . ?
P2B C22B C23B C24B 173.3(16) . . . . ?
P2B C22B C27B C26B -175.7(14) . . . . ?
P2B C22B C27B C28B 7(3) . . . . ?
P2B C29B C30B C31B -177.3(10) . . . . ?
P2B C29B C34B C33B 177.3(10) . . . . ?
P2B C29B C34B C35B 1(2) . . . . ?
P2B C36B C37B C38B 174.9(10) . . . . ?
P2B C36B C41B C40B -174.2(11) . . . . ?
P2B C36B C41B C42B 8(2) . . . . ?
P3B C43B C44B C45B -174.1(9) . . . . ?
P3B C43B C48B C47B 173.0(8) . . . . ?
P3B C43B C48B C49B -5.3(14) . . . . ?
P3B C50B C51B C52B -175.7(11) . . . . ?
P3B C50B C55B C54B 179.3(11) . . . . ?
P3B C50B C55B C56B -7(2) . . . . ?
P3B C57B C58B C59B -177.8(18) . . . . ?
P3B C57B C62B C61B -179.3(15) . . . . ?
P3B C57B C62B C63B -5(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 340.9 82.6 '2 C4H8O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_date_sample_data_collection 2023-11-10
_olex2_date_sample_submission    2023-11-09
_olex2_exptl_crystal_mounting_method 'oil on 50 micrometre micromount'
_olex2_submission_original_sample_id DRH-03-32-2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.877
_oxdiff_exptl_absorpt_empirical_full_min 0.721
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ijsf21006a
_database_code_depnum_ccdc_archive 'CCDC 2288584'
loop_
_audit_author_name
_audit_author_address
'Adrian Whitwood'
;University of York
United Kingdom
;
_audit_update_record             
;
2024-09-26 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2024-09-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C86 H88 O4 P5 Pd6, 2(C4 H8 O)'
_chemical_formula_sum            'C94 H104 O6 P5 Pd6'
_chemical_formula_weight         2123.02
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C104 H92 O8.5 P5 Pd6'
_chemical_oxdiff_usercomment     'David Husbands DRH-01-123'
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'
P P 0.2955 0.4335 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.4929(2)
_cell_length_b                   20.2644(3)
_cell_length_c                   32.5025(5)
_cell_angle_alpha                75.5537(14)
_cell_angle_beta                 85.6199(13)
_cell_angle_gamma                84.3876(13)
_cell_volume                     9820.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    41723
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      71.1130
_cell_measurement_theta_min      3.7820
_shelx_estimated_absorpt_T_max   0.828
_shelx_estimated_absorpt_T_min   0.209
_exptl_absorpt_coefficient_mu    9.814
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.174
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear greenish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4268
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 -1 0.0119
0 1 1 0.0084
1 1 -1 0.0876
-1 0 -1 0.1054
1 1 1 0.0802
1 1 0 0.0616
-1 -1 0 0.0909
0 -1 1 0.0771
0 0 1 0.0747
0 -1 -2 0.0543
0 2 1 0.0352
-1 0 -5 0.1035

_exptl_crystal_recrystallization_method 
'Crystallisation from tetrahydrofuran and water'
_exptl_crystal_size_max          0.232
_exptl_crystal_size_mid          0.179
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0000 -0.9999 -0.9997 0.0602 0.0513 -0.0218
-0.0000 0.9999 0.9997 -0.0602 -0.0513 0.0218
1.0001 0.9999 -1.0007 0.0146 -0.0144 0.1390
-1.0000 0.0001 -0.9999 -0.0689 0.0798 -0.0278
1.0000 0.9998 0.9995 0.0107 -0.0922 0.0794
1.0001 0.9998 -0.0006 0.0127 -0.0533 0.1092
-1.0001 -0.9998 0.0006 -0.0127 0.0533 -0.1092
-0.0000 -0.9999 1.0006 0.0562 -0.0265 -0.0814
-0.0000 -0.0000 1.0001 -0.0020 -0.0389 -0.0298
0.0001 -0.9999 -1.9998 0.0621 0.0901 0.0080
-0.0000 1.9998 0.9992 -0.1183 -0.0637 0.0734
-0.9999 0.0002 -5.0004 -0.0611 0.2353 0.0914

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            95656
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.078
_diffrn_reflns_theta_max         67.078
_diffrn_reflns_theta_min         3.505
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -21.00  30.00   1.00    3.50    --    0.00 -77.00-180.00   51
  2  ω    -21.00  69.00   1.00    3.50    --    0.00  57.00 -30.00   90
  3  ω     33.00 123.00   1.00   14.00    --   54.00  57.00 150.00   90
  4  ω    -15.00  75.00   1.00   14.00    --   54.00 -57.00-180.00   90
  5  ω     10.00 127.00   1.00   14.00    --   54.00  19.00  90.00  117
  6  ω     27.00 111.00   1.00   14.00    --   54.00-125.00 120.00   84
  7  ω    -15.00  75.00   1.00   14.00    --   54.00 -57.00 -90.00   90
  8  ω     36.00 178.00   1.00   14.00    --  108.00  12.00 -90.00  142
  9  ω     40.00 130.00   1.00   14.00    --  108.00 -63.00-180.00   90
 10  ω     36.00 134.00   1.00   14.00    --  108.00 -38.00   0.00   98
 11  ω     36.00 109.00   1.00   14.00    --  108.00-111.00 -60.00   73
 12  ω     36.00 109.00   1.00   14.00    --  108.00-111.00  60.00   73
 13  ω     40.00 130.00   1.00   14.00    --  108.00 -63.00 -60.00   90
 14  ω    103.00 178.00   1.00   14.00    --  108.00  77.00 -60.00   75
 15  ω     35.00 142.00   1.00   14.00    --  108.00 -25.00-120.00  107
 16  ω     36.00 109.00   1.00   14.00    --  108.00-111.00-150.00   73
 17  ω     38.00 130.00   1.00   14.00    --  108.00 -50.00 150.00   92
 18  ω     61.00 146.00   1.00   14.00    --  108.00 178.00-120.00   85
 19  ω     36.00 109.00   1.00   14.00    --  108.00-111.00 120.00   73
 20  ω    -21.00  30.00   1.00    3.50    --    0.00 -77.00 120.00   51
 21  ω    -73.00  44.00   1.00    3.50    --    0.00 -19.00-180.00  117
 22  ω     33.00 123.00   1.00   14.00    --   54.00  57.00 -60.00   90
 23  ω     27.00 123.00   1.00   14.00    --   54.00  71.00 -27.00   96
 24  ω     33.00 123.00   1.00   14.00    --   54.00  57.00  90.00   90
 25  ω     33.00 123.00   1.00   14.00    --   54.00  57.00-150.00   90
 26  ω     33.00 123.00   1.00   14.00    --   54.00  57.00-120.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0708422000
_diffrn_orient_matrix_UB_12      -0.0582039000
_diffrn_orient_matrix_UB_13      -0.0019528000
_diffrn_orient_matrix_UB_21      -0.0409241000
_diffrn_orient_matrix_UB_22      -0.0124146000
_diffrn_orient_matrix_UB_23      -0.0388673000
_diffrn_orient_matrix_UB_31      0.0576093000
_diffrn_orient_matrix_UB_32      0.0515996000
_diffrn_orient_matrix_UB_33      -0.0298017000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                28842
_reflns_number_total             34970
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         3.910
_refine_diff_density_min         -1.577
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2019
_refine_ls_number_reflns         34970
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0825P)²+95.9278P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1806
_refine_ls_wR_factor_ref         0.1890
_refine_special_details          
;
The presence of a large number of relatively high
residual density peaks close to the palladium atoms is believed 
to be due to twinning.  Unfortunately, this could be resolved
with neither a non-merohedral nor a pseudo-merohedral approach.
The ADP of 4 carbons in one phenyl ring and a number
of carbons were restrained to be approximately isotropic.
4 very disordered THFs were modelled using a solvent mask rather than 
a discrete atom model.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C198) \\sim Ueq: with sigma of 0.025 and sigma for terminal atoms of 0.05
Uanis(C160) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C168) \\sim Ueq,
Uanis(C169) \\sim Ueq: with sigma of 0.025 and sigma for terminal atoms of 0.05
Uanis(C200) \\sim Ueq, Uanis(C201) \\sim Ueq, Uanis(C202) \\sim Ueq,
Uanis(C203) \\sim Ueq, Uanis(C204) \\sim Ueq: with sigma of 0.025 and sigma for
terminal atoms of 0.05
3.a Ternary CH refined with riding coordinates:
 O1(H1), O4(H4A), O5(H5A), O8(H8)
3.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C24(H24A,H24B), C45(H45A,H45B), C66(H66A,H66B), C87(H87A,H87B),
 C117(H11D,H11E), C131(H13D,H13E), C152(H15D,H15E), C197(H19A,H19B), C198(H19C,
 H19D), C199(H19E,H19F), C200(H20A,H20B), C173(H17D,H17E), C174(H17F,H17G),
 C175(H17H,H17I), C176(H17J,H17K), C177(H17L,H17M), C178(H17N,H17O), C179(H17P,
 H17Q), C180(H18A,H18B), C201(H20C,H20D), C202(H20E,H20F), C203(H20G,H20H),
 C204(H20I,H20J)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C16(H16), C17(H17), C18(H18), C19(H19), C26(H26), C27(H27), C28(H28), C29(H29),
  C32(H32), C33(H33), C34(H34), C35(H35), C39(H39), C40(H40), C41(H41),
 C42(H42), C47(H47), C48(H48), C49(H49), C50(H50), C53(H53), C54(H54), C55(H55),
  C56(H56), C60(H60), C61(H61), C62(H62), C63(H63), C68(H68), C69(H69),
 C70(H70), C71(H71), C74(H74), C75(H75), C76(H76), C77(H77), C81(H81), C82(H82),
  C83(H83), C84(H84), C89(H89), C90(H90), C91(H91), C92(H92), C95(H95),
 C96(H96), C97(H97), C98(H98), C102(H102), C103(H103), C104(H104), C105(H105),
 C111(H111), C112(H112), C113(H113), C114(H114), C119(H119), C120(H120),
 C121(H121), C122(H122), C125(H125), C126(H126), C127(H127), C128(H128),
 C133(H133), C134(H134), C135(H135), C136(H136), C139(H139), C140(H140),
 C141(H141), C142(H142), C146(H146), C147(H147), C148(H148), C149(H149),
 C154(H154), C155(H155), C156(H156), C157(H157), C160(H160), C161(H161),
 C162(H162), C163(H163), C167(H167), C168(H168), C169(H169), C170(H170)
3.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C37(H37A,H37B,H37C), C44(H44A,H44B,H44C), C58(H58A,H58B,H58C), C65(H65A,
 H65B,H65C), C79(H79A,H79B,H79C), C86(H86A,H86B,H86C), C100(H10A,H10B,H10C),
 C107(H10D,H10E,H10F), C108(H10G,H10H,H10I), C109(H10J,H10K,H10L), C116(H11A,
 H11B,H11C), C130(H13A,H13B,H13C), C144(H14D,H14E,H14F), C151(H15A,H15B,H15C),
 C165(H16A,H16B,H16C), C172(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3929(6) -0.2905(4) 0.8270(3) 0.043(2) Uani 1 1 d . . . A 1
H1A H 0.367584 -0.266402 0.799650 0.052 Uiso 1 1 calc R U . A 1
H1B H 0.435877 -0.261375 0.832762 0.052 Uiso 1 1 calc R U . A 1
C2 C 0.4411(6) -0.3558(5) 0.8209(3) 0.042(2) Uani 1 1 d . . . A 1
C3 C 0.5212(7) -0.3584(5) 0.7982(3) 0.051(2) Uani 1 1 d . . . A 1
H3 H 0.547226 -0.317264 0.785057 0.061 Uiso 1 1 calc R U . A 1
C4 C 0.5620(7) -0.4193(5) 0.7948(3) 0.050(2) Uani 1 1 d . . . A 1
H4 H 0.617169 -0.420482 0.779898 0.060 Uiso 1 1 calc R U . A 1
C5 C 0.5240(7) -0.4803(5) 0.8129(3) 0.051(3) Uani 1 1 d . . . A 1
H5 H 0.553347 -0.522736 0.810642 0.061 Uiso 1 1 calc R U . A 1
C6 C 0.4426(6) -0.4786(5) 0.8343(3) 0.043(2) Uani 1 1 d . . . A 1
H6 H 0.415635 -0.519735 0.846365 0.051 Uiso 1 1 calc R U . A 1
C7 C 0.4017(6) -0.4161(5) 0.8377(3) 0.039(2) Uani 1 1 d . . . A 1
C8 C 0.2176(6) -0.4036(4) 0.8245(3) 0.0371(19) Uani 1 1 d . . . A 1
C9 C 0.2484(7) -0.4085(5) 0.7835(3) 0.046(2) Uani 1 1 d . . . A 1
H9 H 0.309034 -0.415455 0.777246 0.055 Uiso 1 1 calc R U . A 1
C10 C 0.1902(7) -0.4032(5) 0.7517(3) 0.053(3) Uani 1 1 d . . . A 1
H10 H 0.211293 -0.405308 0.723822 0.064 Uiso 1 1 calc R U . A 1
C11 C 0.1030(7) -0.3950(5) 0.7609(3) 0.053(3) Uani 1 1 d . . . A 1
H11 H 0.063555 -0.392541 0.739490 0.063 Uiso 1 1 calc R U . A 1
C12 C 0.0716(7) -0.3903(5) 0.8012(3) 0.051(3) Uani 1 1 d . . . A 1
H12 H 0.010772 -0.384403 0.807100 0.062 Uiso 1 1 calc R U . A 1
C13 C 0.1283(6) -0.3941(4) 0.8332(3) 0.041(2) Uani 1 1 d . . . A 1
C14 C 0.0904(6) -0.3870(6) 0.8766(3) 0.053(3) Uani 1 1 d . . . A 1
H14A H 0.027778 -0.374646 0.875203 0.079 Uiso 1 1 calc R U . A 1
H14B H 0.118238 -0.351322 0.884981 0.079 Uiso 1 1 calc R U . A 1
H14C H 0.100838 -0.430604 0.897634 0.079 Uiso 1 1 calc R U . A 1
C15 C 0.2861(5) -0.4761(4) 0.9059(3) 0.0300(17) Uani 1 1 d . . . A 1
C16 C 0.2334(6) -0.5263(4) 0.9027(3) 0.040(2) Uani 1 1 d . . . A 1
H16 H 0.199913 -0.519253 0.878472 0.048 Uiso 1 1 calc R U . A 1
C17 C 0.2290(7) -0.5866(5) 0.9345(4) 0.053(3) Uani 1 1 d . . . A 1
H17 H 0.193292 -0.620705 0.931832 0.064 Uiso 1 1 calc R U . A 1
C18 C 0.2766(7) -0.5963(5) 0.9695(4) 0.056(3) Uani 1 1 d . . . A 1
H18 H 0.272602 -0.636690 0.991729 0.067 Uiso 1 1 calc R U . A 1
C19 C 0.3306(7) -0.5474(5) 0.9728(3) 0.050(2) Uani 1 1 d . . . A 1
H19 H 0.364089 -0.555225 0.997153 0.060 Uiso 1 1 calc R U . A 1
C20 C 0.3370(6) -0.4867(5) 0.9412(3) 0.040(2) Uani 1 1 d . . . A 1
C21 C 0.3988(7) -0.4376(5) 0.9464(3) 0.050(2) Uani 1 1 d . . . A 1
H21A H 0.423873 -0.453780 0.974266 0.075 Uiso 1 1 calc R U . A 1
H21B H 0.367622 -0.392474 0.944397 0.075 Uiso 1 1 calc R U . A 1
H21C H 0.445267 -0.434146 0.923950 0.075 Uiso 1 1 calc R U . A 1
C22 C 0.3301(6) -0.1189(4) 0.7932(3) 0.0354(19) Uani 1 1 d . . . A 1
H22A H 0.278818 -0.141225 0.789589 0.053 Uiso 1 1 calc R U . A 1
H22B H 0.381552 -0.139310 0.780102 0.053 Uiso 1 1 calc R U . A 1
H22C H 0.322033 -0.069947 0.779449 0.053 Uiso 1 1 calc R U . A 1
C23 C 0.4628(5) -0.1474(4) 0.8620(3) 0.0352(19) Uani 1 1 d . . . A 1
H23A H 0.497035 -0.142617 0.834899 0.053 Uiso 1 1 calc R U . A 1
H23B H 0.473741 -0.193979 0.879570 0.053 Uiso 1 1 calc R U . A 1
H23C H 0.479505 -0.114591 0.876912 0.053 Uiso 1 1 calc R U . A 1
C24 C 0.0213(6) -0.2079(5) 0.8998(4) 0.047(2) Uani 1 1 d . . . A 1
H24A H 0.008556 -0.248445 0.890279 0.056 Uiso 1 1 calc R U . A 1
H24B H 0.013996 -0.219685 0.931283 0.056 Uiso 1 1 calc R U . A 1
C25 C -0.0465(6) -0.1509(5) 0.8830(3) 0.039(2) Uani 1 1 d . . . A 1
C26 C -0.1346(6) -0.1561(6) 0.8948(4) 0.055(3) Uani 1 1 d . . . A 1
H26 H -0.153422 -0.195416 0.914954 0.066 Uiso 1 1 calc R U . A 1
C27 C -0.1950(7) -0.1024(7) 0.8766(4) 0.061(3) Uani 1 1 d . . . A 1
H27 H -0.255185 -0.106449 0.883742 0.073 Uiso 1 1 calc R U . A 1
C28 C -0.1690(6) -0.0445(6) 0.8486(4) 0.053(3) Uani 1 1 d . . . A 1
H28 H -0.210767 -0.008401 0.837164 0.063 Uiso 1 1 calc R U . A 1
C29 C -0.0828(6) -0.0386(5) 0.8372(3) 0.045(2) Uani 1 1 d . . . A 1
H29 H -0.064751 0.001340 0.817465 0.054 Uiso 1 1 calc R U . A 1
C30 C -0.0212(6) -0.0913(4) 0.8547(3) 0.038(2) Uani 1 1 d . . . A 1
C31 C 0.1114(6) -0.0687(5) 0.7874(3) 0.041(2) Uani 1 1 d . . . A 1
C32 C 0.1476(7) -0.0082(5) 0.7677(3) 0.047(2) Uani 1 1 d . . . A 1
H32 H 0.162488 0.020677 0.784662 0.056 Uiso 1 1 calc R U . A 1
C33 C 0.1630(8) 0.0117(7) 0.7233(4) 0.070(3) Uani 1 1 d . . . A 1
H33 H 0.189252 0.052851 0.710466 0.084 Uiso 1 1 calc R U . A 1
C34 C 0.1401(11) -0.0281(9) 0.6991(4) 0.091(5) Uani 1 1 d . . . A 1
H34 H 0.148876 -0.014584 0.669058 0.109 Uiso 1 1 calc R U . A 1
C35 C 0.1041(9) -0.0885(9) 0.7180(4) 0.081(4) Uani 1 1 d . . . A 1
H35 H 0.088944 -0.116125 0.700400 0.098 Uiso 1 1 calc R U . A 1
C36 C 0.0884(7) -0.1115(6) 0.7629(3) 0.055(3) Uani 1 1 d . . . A 1
C37 C 0.0503(9) -0.1788(7) 0.7820(4) 0.079(4) Uani 1 1 d . . . A 1
H37A H -0.005291 -0.170699 0.797174 0.118 Uiso 1 1 calc R U . A 1
H37B H 0.090419 -0.208430 0.801835 0.118 Uiso 1 1 calc R U . A 1
H37C H 0.040909 -0.200862 0.759249 0.118 Uiso 1 1 calc R U . A 1
C38 C 0.2595(6) -0.2787(4) 1.0111(3) 0.0339(19) Uani 1 1 d . . . A 1
C39 C 0.3112(7) -0.3374(5) 1.0294(3) 0.045(2) Uani 1 1 d . . . A 1
H39 H 0.360315 -0.352095 1.013634 0.054 Uiso 1 1 calc R U . A 1
C40 C 0.2915(8) -0.3747(5) 1.0706(3) 0.052(3) Uani 1 1 d . . . A 1
H40 H 0.327195 -0.414883 1.082281 0.062 Uiso 1 1 calc R U . A 1
C41 C 0.2231(8) -0.3555(5) 1.0946(3) 0.053(3) Uani 1 1 d . . . A 1
H41 H 0.210757 -0.381272 1.122789 0.063 Uiso 1 1 calc R U . A 1
C42 C 0.1703(7) -0.2955(5) 1.0763(3) 0.048(2) Uani 1 1 d . . . A 1
H42 H 0.121556 -0.281525 1.092542 0.058 Uiso 1 1 calc R U . A 1
C43 C 0.1876(6) -0.2570(5) 1.0356(3) 0.041(2) Uani 1 1 d . . . A 1
C44 C 0.1305(6) -0.1933(5) 1.0178(3) 0.047(2) Uani 1 1 d . . . A 1
H44A H 0.165819 -0.154095 1.009433 0.071 Uiso 1 1 calc R U . A 1
H44B H 0.085779 -0.185730 1.039491 0.071 Uiso 1 1 calc R U . A 1
H44C H 0.102716 -0.198732 0.992853 0.071 Uiso 1 1 calc R U . A 1
C45 C 0.2812(6) -0.0271(4) 0.9890(2) 0.0296(17) Uani 1 1 d . . . A 1
H45A H 0.313220 0.013770 0.986633 0.035 Uiso 1 1 calc R U . A 1
H45B H 0.218627 -0.012843 0.992360 0.035 Uiso 1 1 calc R U . A 1
C46 C 0.3063(5) -0.0785(4) 1.0290(3) 0.0282(17) Uani 1 1 d . . . A 1
C47 C 0.2986(5) -0.0627(4) 1.0685(3) 0.0318(18) Uani 1 1 d . . . A 1
H47 H 0.275141 -0.018481 1.070691 0.038 Uiso 1 1 calc R U . A 1
C48 C 0.3250(6) -0.1110(5) 1.1049(3) 0.039(2) Uani 1 1 d . . . A 1
H48 H 0.321805 -0.099031 1.131444 0.047 Uiso 1 1 calc R U . A 1
C49 C 0.3558(6) -0.1763(4) 1.1023(3) 0.038(2) Uani 1 1 d . . . A 1
H49 H 0.371288 -0.209841 1.127346 0.046 Uiso 1 1 calc R U . A 1
C50 C 0.3640(5) -0.1927(4) 1.0631(3) 0.0313(18) Uani 1 1 d . . . A 1
H50 H 0.386423 -0.237220 1.061148 0.038 Uiso 1 1 calc R U . A 1
C51 C 0.3393(5) -0.1440(4) 1.0269(2) 0.0270(16) Uani 1 1 d . . . A 1
C52 C 0.4690(5) -0.1777(4) 0.9678(2) 0.0270(16) Uani 1 1 d . . . A 1
C53 C 0.4958(6) -0.2456(4) 0.9673(3) 0.038(2) Uani 1 1 d . . . A 1
H53 H 0.453139 -0.276972 0.969171 0.046 Uiso 1 1 calc R U . A 1
C54 C 0.5835(6) -0.2684(5) 0.9641(3) 0.047(2) Uani 1 1 d . . . A 1
H54 H 0.600345 -0.314920 0.964602 0.056 Uiso 1 1 calc R U . A 1
C55 C 0.6453(6) -0.2221(5) 0.9602(3) 0.048(2) Uani 1 1 d . . . A 1
H55 H 0.705393 -0.236217 0.957664 0.058 Uiso 1 1 calc R U . A 1
C56 C 0.6185(6) -0.1548(5) 0.9600(3) 0.040(2) Uani 1 1 d . . . A 1
H56 H 0.661302 -0.123170 0.956929 0.048 Uiso 1 1 calc R U . A 1
C57 C 0.5321(5) -0.1317(4) 0.9640(2) 0.0299(17) Uani 1 1 d . . . A 1
C58 C 0.5092(6) -0.0569(4) 0.9624(3) 0.040(2) Uani 1 1 d . . . A 1
H58A H 0.474410 -0.036036 0.937846 0.060 Uiso 1 1 calc R U . A 1
H58B H 0.562583 -0.033575 0.959862 0.060 Uiso 1 1 calc R U . A 1
H58C H 0.475704 -0.052506 0.988590 0.060 Uiso 1 1 calc R U . A 1
C59 C 0.0556(6) 0.0369(4) 0.8751(3) 0.0344(19) Uani 1 1 d . . . A 1
C60 C 0.0335(6) 0.0943(4) 0.8425(3) 0.038(2) Uani 1 1 d . . . A 1
H60 H 0.070157 0.103851 0.817297 0.046 Uiso 1 1 calc R U . A 1
C61 C -0.0418(6) 0.1384(5) 0.8458(4) 0.049(2) Uani 1 1 d . . . A 1
H61 H -0.055541 0.177038 0.823184 0.059 Uiso 1 1 calc R U . A 1
C62 C -0.0954(6) 0.1245(5) 0.8826(4) 0.052(3) Uani 1 1 d . . . A 1
H62 H -0.146450 0.153306 0.885549 0.062 Uiso 1 1 calc R U . A 1
C63 C -0.0725(6) 0.0666(5) 0.9156(3) 0.044(2) Uani 1 1 d . . . A 1
H63 H -0.108541 0.057150 0.941052 0.053 Uiso 1 1 calc R U . A 1
C64 C 0.0003(6) 0.0236(4) 0.9120(3) 0.0363(19) Uani 1 1 d . . . A 1
C65 C 0.0212(6) -0.0370(5) 0.9485(3) 0.039(2) Uani 1 1 d . . . A 1
H65A H 0.026693 -0.078966 0.938451 0.059 Uiso 1 1 calc R U . A 1
H65B H -0.025583 -0.039619 0.970826 0.059 Uiso 1 1 calc R U . A 1
H65C H 0.075970 -0.031619 0.960106 0.059 Uiso 1 1 calc R U . A 1
C66 C 0.4367(6) 0.0242(4) 0.8018(3) 0.044(2) Uani 1 1 d . . . A 1
H66A H 0.460666 -0.024077 0.809965 0.053 Uiso 1 1 calc R U . A 1
H66B H 0.408141 0.030918 0.774668 0.053 Uiso 1 1 calc R U . A 1
C67 C 0.5110(6) 0.0691(5) 0.7942(3) 0.038(2) Uani 1 1 d . . . A 1
C68 C 0.5947(7) 0.0499(5) 0.7803(3) 0.048(2) Uani 1 1 d . . . A 1
H68 H 0.607744 0.006692 0.773820 0.057 Uiso 1 1 calc R U . A 1
C69 C 0.6606(6) 0.0959(6) 0.7758(3) 0.050(2) Uani 1 1 d . . . A 1
H69 H 0.718548 0.082367 0.767624 0.060 Uiso 1 1 calc R U . A 1
C70 C 0.6411(6) 0.1591(5) 0.7831(3) 0.042(2) Uani 1 1 d . . . A 1
H70 H 0.685518 0.189645 0.779356 0.051 Uiso 1 1 calc R U . A 1
C71 C 0.5579(6) 0.1796(5) 0.7959(3) 0.037(2) Uani 1 1 d . . . A 1
H71 H 0.543965 0.224191 0.800187 0.044 Uiso 1 1 calc R U . A 1
C72 C 0.4948(6) 0.1326(4) 0.8024(3) 0.0346(19) Uani 1 1 d . . . A 1
C73 C 0.3898(5) 0.2084(4) 0.8541(3) 0.0324(18) Uani 1 1 d . . . A 1
C74 C 0.3746(7) 0.2778(5) 0.8330(3) 0.045(2) Uani 1 1 d . . . A 1
H74 H 0.358536 0.289818 0.804284 0.054 Uiso 1 1 calc R U . A 1
C75 C 0.3828(7) 0.3281(5) 0.8535(3) 0.054(3) Uani 1 1 d . . . A 1
H75 H 0.372968 0.374778 0.838969 0.065 Uiso 1 1 calc R U . A 1
C76 C 0.4054(7) 0.3108(5) 0.8953(3) 0.050(2) Uani 1 1 d . . . A 1
H76 H 0.411161 0.345475 0.909654 0.059 Uiso 1 1 calc R U . A 1
C77 C 0.4199(6) 0.2414(4) 0.9164(3) 0.038(2) Uani 1 1 d . . . A 1
H77 H 0.434492 0.229465 0.945360 0.046 Uiso 1 1 calc R U . A 1
C78 C 0.4131(5) 0.1902(4) 0.8958(3) 0.0318(18) Uani 1 1 d . . . A 1
C79 C 0.4345(6) 0.1175(4) 0.9188(3) 0.037(2) Uani 1 1 d . . . A 1
H79A H 0.452415 0.115794 0.947343 0.055 Uiso 1 1 calc R U . A 1
H79B H 0.482021 0.097248 0.903034 0.055 Uiso 1 1 calc R U . A 1
H79C H 0.383248 0.091852 0.921070 0.055 Uiso 1 1 calc R U . A 1
C80 C 0.3189(6) 0.1866(4) 0.7781(3) 0.038(2) Uani 1 1 d . . . A 1
C81 C 0.3531(8) 0.1856(5) 0.7372(3) 0.049(2) Uani 1 1 d . . . A 1
H81 H 0.411897 0.169303 0.732920 0.058 Uiso 1 1 calc R U . A 1
C82 C 0.2999(9) 0.2088(5) 0.7021(3) 0.061(3) Uani 1 1 d . . . A 1
H82 H 0.322634 0.207832 0.674290 0.073 Uiso 1 1 calc R U . A 1
C83 C 0.2150(9) 0.2330(5) 0.7085(4) 0.062(3) Uani 1 1 d . . . A 1
H83 H 0.179192 0.248926 0.684996 0.074 Uiso 1 1 calc R U . A 1
C84 C 0.1824(8) 0.2340(5) 0.7481(4) 0.058(3) Uani 1 1 d . . . A 1
H84 H 0.123837 0.251505 0.751505 0.069 Uiso 1 1 calc R U . A 1
C85 C 0.2312(6) 0.2104(4) 0.7847(3) 0.043(2) Uani 1 1 d . . . A 1
C86 C 0.1884(6) 0.2097(5) 0.8268(3) 0.047(2) Uani 1 1 d . . . A 1
H86A H 0.205552 0.248099 0.836808 0.070 Uiso 1 1 calc R U . A 1
H86B H 0.205927 0.166626 0.847008 0.070 Uiso 1 1 calc R U . A 1
H86C H 0.125235 0.213881 0.824764 0.070 Uiso 1 1 calc R U . A 1
O1 O 0.2007(3) -0.2874(3) 0.92317(17) 0.0297(12) Uani 1 1 d . . . A 1
H1 H 0.165398 -0.324997 0.939688 0.045 Uiso 1 1 calc R U . A 1
O2 O 0.2919(3) -0.1940(3) 0.87921(17) 0.0271(11) Uani 1 1 d . . . A 1
O3 O 0.3056(3) -0.0610(3) 0.86626(16) 0.0256(11) Uani 1 1 d . . . A 1
O4 O 0.2462(3) 0.0403(3) 0.89586(16) 0.0280(11) Uani 1 1 d . . . A 1
H4A H 0.224533 0.080937 0.907083 0.042 Uiso 1 1 calc R U . A 1
P1 P 0.29691(14) -0.40031(10) 0.86278(7) 0.0315(4) Uani 1 1 d . . . A 1
P2 P 0.34498(14) -0.13049(10) 0.85147(7) 0.0312(4) Uani 1 1 d . . . A 1
P3 P 0.09646(14) -0.09036(10) 0.84618(7) 0.0315(4) Uani 1 1 d . . . A 1
P4 P 0.35136(13) -0.15499(9) 0.97243(6) 0.0260(4) Uani 1 1 d . . . A 1
P5 P 0.38406(14) 0.14535(10) 0.82284(6) 0.0308(4) Uani 1 1 d . . . A 1
Pd1 Pd 0.29629(4) -0.29716(3) 0.87341(2) 0.02962(14) Uani 1 1 d . . . A 1
Pd2 Pd 0.14768(4) -0.19173(3) 0.88371(2) 0.02951(14) Uani 1 1 d . . . A 1
Pd3 Pd 0.27942(4) -0.22986(3) 0.95095(2) 0.02577(13) Uani 1 1 d . . . A 1
Pd4 Pd 0.16674(4) -0.01790(3) 0.87014(2) 0.02656(13) Uani 1 1 d . . . A 1
Pd5 Pd 0.30101(4) -0.05443(3) 0.93340(2) 0.02389(12) Uani 1 1 d . . . A 1
Pd6 Pd 0.34516(4) 0.04036(3) 0.84702(2) 0.02771(13) Uani 1 1 d . . . A 1
C87 C 0.5486(6) -0.4825(4) 0.6929(3) 0.042(2) Uani 1 1 d . . . B 1
H87A H 0.575002 -0.481468 0.719495 0.051 Uiso 1 1 calc R U . B 1
H87B H 0.524694 -0.435442 0.679837 0.051 Uiso 1 1 calc R U . B 1
C88 C 0.4751(6) -0.5278(4) 0.7041(3) 0.0361(19) Uani 1 1 d . . . B 1
C89 C 0.3909(6) -0.5058(5) 0.7164(3) 0.043(2) Uani 1 1 d . . . B 1
H89 H 0.377857 -0.459473 0.717584 0.052 Uiso 1 1 calc R U . B 1
C90 C 0.3258(6) -0.5513(5) 0.7269(3) 0.045(2) Uani 1 1 d . . . B 1
H90 H 0.268925 -0.535771 0.735388 0.054 Uiso 1 1 calc R U . B 1
C91 C 0.3438(6) -0.6186(5) 0.7251(3) 0.043(2) Uani 1 1 d . . . B 1
H91 H 0.299054 -0.649020 0.731709 0.052 Uiso 1 1 calc R U . B 1
C92 C 0.4272(6) -0.6419(5) 0.7137(3) 0.0368(19) Uani 1 1 d . . . B 1
H92 H 0.440270 -0.688540 0.713388 0.044 Uiso 1 1 calc R U . B 1
C93 C 0.4916(5) -0.5961(4) 0.7026(2) 0.0323(18) Uani 1 1 d . . . B 1
C94 C 0.6626(6) -0.6498(4) 0.7327(3) 0.037(2) Uani 1 1 d . . . B 1
C95 C 0.6215(7) -0.6475(4) 0.7718(3) 0.040(2) Uani 1 1 d . . . B 1
H95 H 0.561767 -0.632069 0.773672 0.049 Uiso 1 1 calc R U . B 1
C96 C 0.6692(8) -0.6683(5) 0.8084(3) 0.051(3) Uani 1 1 d . . . B 1
H96 H 0.641436 -0.667008 0.835348 0.061 Uiso 1 1 calc R U . B 1
C97 C 0.7550(9) -0.6904(6) 0.8058(4) 0.063(3) Uani 1 1 d . . . B 1
H97 H 0.786795 -0.704939 0.830836 0.076 Uiso 1 1 calc R U . B 1
C98 C 0.7950(8) -0.6913(5) 0.7668(4) 0.057(3) Uani 1 1 d . . . B 1
H98 H 0.854897 -0.706492 0.765211 0.069 Uiso 1 1 calc R U . B 1
C99 C 0.7512(7) -0.6709(5) 0.7299(3) 0.048(2) Uani 1 1 d . . . B 1
C100 C 0.7978(7) -0.6736(6) 0.6875(3) 0.053(3) Uani 1 1 d . . . B 1
H10A H 0.859784 -0.686435 0.691622 0.080 Uiso 1 1 calc R U . B 1
H10B H 0.790444 -0.628627 0.667613 0.080 Uiso 1 1 calc R U . B 1
H10C H 0.773348 -0.707619 0.675988 0.080 Uiso 1 1 calc R U . B 1
C101 C 0.5973(6) -0.6810(4) 0.6568(3) 0.0336(18) Uani 1 1 d . . . B 1
C102 C 0.6182(7) -0.7485(4) 0.6800(3) 0.050(3) Uani 1 1 d . . . B 1
H102 H 0.637796 -0.757251 0.707937 0.060 Uiso 1 1 calc R U . B 1
C103 C 0.6097(9) -0.8023(5) 0.6614(4) 0.063(3) Uani 1 1 d . . . B 1
H103 H 0.621499 -0.848125 0.677163 0.076 Uiso 1 1 calc R U . B 1
C104 C 0.5846(8) -0.7892(5) 0.6206(3) 0.057(3) Uani 1 1 d . . . B 1
H104 H 0.580329 -0.825966 0.607828 0.069 Uiso 1 1 calc R U . B 1
C105 C 0.5652(6) -0.7222(4) 0.5976(3) 0.043(2) Uani 1 1 d . . . B 1
H105 H 0.547520 -0.713639 0.569305 0.052 Uiso 1 1 calc R U . B 1
C106 C 0.5714(5) -0.6680(4) 0.6159(3) 0.0336(18) Uani 1 1 d . . . B 1
C107 C 0.5470(6) -0.5964(4) 0.5905(3) 0.038(2) Uani 1 1 d . . . B 1
H10D H 0.508257 -0.572102 0.608087 0.057 Uiso 1 1 calc R U . B 1
H10E H 0.517205 -0.598379 0.565313 0.057 Uiso 1 1 calc R U . B 1
H10F H 0.599548 -0.572148 0.581491 0.057 Uiso 1 1 calc R U . B 1
C108 C 0.6570(6) -0.3323(5) 0.6863(3) 0.0363(19) Uani 1 1 d . . . B 1
H10G H 0.710647 -0.311627 0.688217 0.054 Uiso 1 1 calc R U . B 1
H10H H 0.658511 -0.378439 0.704991 0.054 Uiso 1 1 calc R U . B 1
H10I H 0.607075 -0.304272 0.694982 0.054 Uiso 1 1 calc R U . B 1
C109 C 0.5301(6) -0.3235(5) 0.6178(3) 0.038(2) Uani 1 1 d . . . B 1
H10J H 0.521239 -0.282519 0.594539 0.057 Uiso 1 1 calc R U . B 1
H10K H 0.494290 -0.317484 0.643036 0.057 Uiso 1 1 calc R U . B 1
H10L H 0.513428 -0.363280 0.609237 0.057 Uiso 1 1 calc R U . B 1
C110 C 0.9363(6) -0.5153(4) 0.6275(3) 0.0336(18) Uani 1 1 d . . . B 1
C111 C 0.9564(6) -0.5652(5) 0.6644(3) 0.044(2) Uani 1 1 d . . . B 1
H111 H 0.918013 -0.569319 0.688935 0.053 Uiso 1 1 calc R U . B 1
C112 C 1.0320(7) -0.6092(5) 0.6659(4) 0.055(3) Uani 1 1 d . . . B 1
H112 H 1.044210 -0.643330 0.691085 0.065 Uiso 1 1 calc R U . B 1
C113 C 1.0882(6) -0.6029(5) 0.6309(4) 0.059(3) Uani 1 1 d . . . B 1
H113 H 1.140383 -0.631956 0.631828 0.070 Uiso 1 1 calc R U . B 1
C114 C 1.0684(6) -0.5530(5) 0.5933(4) 0.047(2) Uani 1 1 d . . . B 1
H114 H 1.107108 -0.548986 0.568835 0.056 Uiso 1 1 calc R U . B 1
C115 C 0.9942(6) -0.5103(4) 0.5916(3) 0.039(2) Uani 1 1 d . . . B 1
C116 C 0.9753(6) -0.4572(5) 0.5512(3) 0.041(2) Uani 1 1 d . . . B 1
H11A H 0.974747 -0.411459 0.556246 0.062 Uiso 1 1 calc R U . B 1
H11B H 0.918587 -0.463137 0.541781 0.062 Uiso 1 1 calc R U . B 1
H11C H 1.020397 -0.462360 0.529066 0.062 Uiso 1 1 calc R U . B 1
C117 C 0.7158(6) -0.4763(4) 0.5100(2) 0.0309(17) Uani 1 1 d . . . B 1
H11D H 0.777802 -0.493508 0.508963 0.037 Uiso 1 1 calc R U . B 1
H11E H 0.681416 -0.516620 0.515414 0.037 Uiso 1 1 calc R U . B 1
C118 C 0.6961(5) -0.4330(4) 0.4666(3) 0.0306(17) Uani 1 1 d . . . B 1
C119 C 0.7076(5) -0.4598(5) 0.4309(3) 0.0366(19) Uani 1 1 d . . . B 1
H119 H 0.728952 -0.506190 0.433577 0.044 Uiso 1 1 calc R U . B 1
C120 C 0.6875(6) -0.4180(5) 0.3911(3) 0.044(2) Uani 1 1 d . . . B 1
H120 H 0.694441 -0.436335 0.366768 0.053 Uiso 1 1 calc R U . B 1
C121 C 0.6577(6) -0.3503(5) 0.3868(3) 0.043(2) Uani 1 1 d . . . B 1
H121 H 0.644013 -0.322144 0.359688 0.051 Uiso 1 1 calc R U . B 1
C122 C 0.6478(6) -0.3235(4) 0.4228(3) 0.038(2) Uani 1 1 d . . . B 1
H122 H 0.628196 -0.276751 0.420084 0.045 Uiso 1 1 calc R U . B 1
C123 C 0.6667(5) -0.3651(4) 0.4624(2) 0.0312(18) Uani 1 1 d . . . B 1
C124 C 0.5359(5) -0.3108(4) 0.5140(3) 0.0330(18) Uani 1 1 d . . . B 1
C125 C 0.5141(6) -0.2399(5) 0.5056(3) 0.041(2) Uani 1 1 d . . . B 1
H125 H 0.559212 -0.209751 0.498910 0.049 Uiso 1 1 calc R U . B 1
C126 C 0.4289(6) -0.2131(5) 0.5067(3) 0.049(2) Uani 1 1 d . . . B 1
H126 H 0.415748 -0.165008 0.501125 0.058 Uiso 1 1 calc R U . B 1
C127 C 0.3634(6) -0.2558(5) 0.5160(3) 0.048(2) Uani 1 1 d . . . B 1
H127 H 0.304777 -0.237486 0.517419 0.058 Uiso 1 1 calc R U . B 1
C128 C 0.3824(6) -0.3264(5) 0.5233(3) 0.048(2) Uani 1 1 d . . . B 1
H128 H 0.336361 -0.355663 0.528957 0.058 Uiso 1 1 calc R U . B 1
C129 C 0.4681(6) -0.3546(4) 0.5226(3) 0.0351(19) Uani 1 1 d . . . B 1
C130 C 0.4849(6) -0.4313(4) 0.5316(3) 0.039(2) Uani 1 1 d . . . B 1
H13A H 0.522208 -0.443519 0.508447 0.059 Uiso 1 1 calc R U . B 1
H13B H 0.429601 -0.451973 0.533735 0.059 Uiso 1 1 calc R U . B 1
H13C H 0.513752 -0.448224 0.558458 0.059 Uiso 1 1 calc R U . B 1
C131 C 0.9735(6) -0.2694(5) 0.5823(3) 0.042(2) Uani 1 1 d . . . B 1
H13D H 0.983049 -0.262136 0.551089 0.051 Uiso 1 1 calc R U . B 1
H13E H 0.985778 -0.226684 0.589454 0.051 Uiso 1 1 calc R U . B 1
C132 C 1.0402(6) -0.3249(5) 0.6027(3) 0.042(2) Uani 1 1 d . . . B 1
C133 C 1.1280(6) -0.3238(6) 0.5909(3) 0.049(2) Uani 1 1 d . . . B 1
H133 H 1.147420 -0.288155 0.568151 0.059 Uiso 1 1 calc R U . B 1
C134 C 1.1872(6) -0.3733(6) 0.6117(3) 0.053(3) Uani 1 1 d . . . B 1
H134 H 1.247317 -0.371393 0.603630 0.063 Uiso 1 1 calc R U . B 1
C135 C 1.1591(6) -0.4261(6) 0.6445(3) 0.047(2) Uani 1 1 d . . . B 1
H135 H 1.200277 -0.460543 0.658724 0.056 Uiso 1 1 calc R U . B 1
C136 C 1.0720(6) -0.4292(5) 0.6568(3) 0.040(2) Uani 1 1 d . . . B 1
H136 H 1.053003 -0.465059 0.679550 0.048 Uiso 1 1 calc R U . B 1
C137 C 1.0118(5) -0.3783(5) 0.6350(3) 0.037(2) Uani 1 1 d . . . B 1
C138 C 0.8731(6) -0.3840(5) 0.7001(3) 0.041(2) Uani 1 1 d . . . B 1
C139 C 0.8383(6) -0.4433(6) 0.7245(3) 0.050(3) Uani 1 1 d . . . B 1
H139 H 0.827801 -0.478065 0.710957 0.060 Uiso 1 1 calc R U . B 1
C140 C 0.8186(7) -0.4531(8) 0.7677(3) 0.066(3) Uani 1 1 d . . . B 1
H140 H 0.796231 -0.494271 0.783945 0.079 Uiso 1 1 calc R U . B 1
C141 C 0.8323(9) -0.4018(10) 0.7866(4) 0.084(5) Uani 1 1 d . . . B 1
H141 H 0.817870 -0.407027 0.816075 0.101 Uiso 1 1 calc R U . B 1
C142 C 0.8658(8) -0.3443(9) 0.7639(4) 0.082(5) Uani 1 1 d . . . B 1
H142 H 0.874966 -0.310252 0.778216 0.098 Uiso 1 1 calc R U . B 1
C143 C 0.8887(6) -0.3314(6) 0.7188(3) 0.055(3) Uani 1 1 d . . . B 1
C144 C 0.9246(8) -0.2674(6) 0.6957(4) 0.067(3) Uani 1 1 d . . . B 1
H14D H 0.983865 -0.277264 0.684640 0.101 Uiso 1 1 calc R U . B 1
H14E H 0.925641 -0.237229 0.714932 0.101 Uiso 1 1 calc R U . B 1
H14F H 0.888352 -0.244805 0.671904 0.101 Uiso 1 1 calc R U . B 1
C145 C 0.7593(6) -0.2288(4) 0.4657(3) 0.0350(19) Uani 1 1 d . . . B 1
C146 C 0.7188(7) -0.1685(5) 0.4404(3) 0.046(2) Uani 1 1 d . . . B 1
H146 H 0.669235 -0.145819 0.451500 0.055 Uiso 1 1 calc R U . B 1
C147 C 0.7512(7) -0.1427(5) 0.3995(3) 0.049(3) Uani 1 1 d . . . B 1
H147 H 0.724953 -0.100977 0.383243 0.059 Uiso 1 1 calc R U . B 1
C148 C 0.8200(7) -0.1752(5) 0.3817(3) 0.052(3) Uani 1 1 d . . . B 1
H148 H 0.840065 -0.157638 0.353002 0.062 Uiso 1 1 calc R U . B 1
C149 C 0.8603(6) -0.2352(5) 0.4067(3) 0.047(2) Uani 1 1 d . . . B 1
H149 H 0.909178 -0.257730 0.395033 0.056 Uiso 1 1 calc R U . B 1
C150 C 0.8304(6) -0.2621(4) 0.4479(3) 0.0359(19) Uani 1 1 d . . . B 1
C151 C 0.8748(6) -0.3254(4) 0.4738(3) 0.038(2) Uani 1 1 d . . . B 1
H15A H 0.893437 -0.316470 0.499934 0.057 Uiso 1 1 calc R U . B 1
H15B H 0.925679 -0.339995 0.457439 0.057 Uiso 1 1 calc R U . B 1
H15C H 0.834706 -0.361627 0.481208 0.057 Uiso 1 1 calc R U . B 1
C152 C 0.5891(7) -0.1636(5) 0.6325(4) 0.059(3) Uani 1 1 d . . . B 1
H15D H 0.545804 -0.192159 0.626263 0.071 Uiso 1 1 calc R U . B 1
H15E H 0.607127 -0.184874 0.661737 0.071 Uiso 1 1 calc R U . B 1
C153 C 0.5440(7) -0.0954(5) 0.6326(4) 0.059(3) Uani 1 1 d . . . B 1
C154 C 0.4622(9) -0.0842(7) 0.6521(5) 0.089(5) Uani 1 1 d . . . B 1
H154 H 0.433349 -0.122375 0.668298 0.107 Uiso 1 1 calc R U . B 1
C155 C 0.4225(9) -0.0199(7) 0.6487(6) 0.096(5) Uani 1 1 d . . . B 1
H155 H 0.367179 -0.013916 0.662600 0.115 Uiso 1 1 calc R U . B 1
C156 C 0.4630(9) 0.0371(7) 0.6247(6) 0.101(6) Uani 1 1 d . . . B 1
H156 H 0.435406 0.081567 0.623063 0.121 Uiso 1 1 calc R U . B 1
C157 C 0.5433(8) 0.0295(6) 0.6033(5) 0.077(4) Uani 1 1 d . . . B 1
H157 H 0.569442 0.068057 0.585736 0.092 Uiso 1 1 calc R U . B 1
C158 C 0.5844(7) -0.0364(5) 0.6083(4) 0.062(3) Uani 1 1 d . . . B 1
C159 C 0.7054(8) 0.0005(6) 0.5392(5) 0.072(4) Uani 1 1 d . . . B 1
C160 C 0.7616(10) 0.0525(7) 0.5347(6) 0.103(5) Uani 1 1 d . U . B 1
H160 H 0.791163 0.054569 0.558832 0.123 Uiso 1 1 calc R U . B 1
C161 C 0.7762(10) 0.1009(7) 0.4970(6) 0.101(6) Uani 1 1 d . . . B 1
H161 H 0.810921 0.137728 0.495426 0.121 Uiso 1 1 calc R U . B 1
C162 C 0.7388(11) 0.0930(9) 0.4629(5) 0.100(5) Uani 1 1 d . . . B 1
H162 H 0.754880 0.121732 0.436072 0.120 Uiso 1 1 calc R U . B 1
C163 C 0.6791(11) 0.0469(7) 0.4634(5) 0.097(5) Uani 1 1 d . . . B 1
H163 H 0.649558 0.047494 0.438776 0.116 Uiso 1 1 calc R U . B 1
C164 C 0.6631(10) -0.0033(6) 0.5037(5) 0.078(4) Uani 1 1 d . . . B 1
C165 C 0.5969(11) -0.0561(7) 0.5066(4) 0.090(5) Uani 1 1 d . . . B 1
H16A H 0.625018 -0.102215 0.516723 0.136 Uiso 1 1 calc R U . B 1
H16B H 0.575075 -0.051377 0.478422 0.136 Uiso 1 1 calc R U . B 1
H16C H 0.548477 -0.048359 0.526512 0.136 Uiso 1 1 calc R U . B 1
C166 C 0.7628(9) -0.0415(8) 0.6274(6) 0.092(5) Uani 1 1 d . . . B 1
C167 C 0.7233(12) -0.0151(10) 0.6625(6) 0.115(6) Uani 1 1 d . U . B 1
H167 H 0.662926 -0.001330 0.662915 0.137 Uiso 1 1 calc R U . B 1
C168 C 0.7717(13) -0.0095(12) 0.6958(8) 0.141(8) Uani 1 1 d . U . B 1
H168 H 0.744795 0.004875 0.719680 0.169 Uiso 1 1 calc R U . B 1
C169 C 0.8627(13) -0.0259(11) 0.6925(7) 0.124(7) Uani 1 1 d . U . B 1
H169 H 0.897858 -0.019155 0.713521 0.149 Uiso 1 1 calc R U . B 1
C170 C 0.9020(11) -0.0521(10) 0.6586(6) 0.112(6) Uani 1 1 d . . . B 1
H170 H 0.962767 -0.064301 0.657259 0.134 Uiso 1 1 calc R U . B 1
C171 C 0.8492(9) -0.0598(7) 0.6263(5) 0.076(4) Uani 1 1 d . . . B 1
C172 C 0.8939(9) -0.0908(6) 0.5941(5) 0.079(4) Uani 1 1 d . . . B 1
H17A H 0.871062 -0.134897 0.595832 0.118 Uiso 1 1 calc R U . B 1
H17B H 0.956197 -0.097883 0.598816 0.118 Uiso 1 1 calc R U . B 1
H17C H 0.884665 -0.060567 0.565853 0.118 Uiso 1 1 calc R U . B 1
O5 O 0.7450(3) -0.5233(3) 0.60611(16) 0.0277(11) Uani 1 1 d . . . B 1
H5A H 0.766372 -0.567872 0.599485 0.042 Uiso 1 1 calc R U . B 1
O6 O 0.6863(3) -0.4109(3) 0.62364(17) 0.0292(12) Uani 1 1 d . . . B 1
O7 O 0.7013(3) -0.2776(3) 0.59780(18) 0.0312(12) Uani 1 1 d . . . B 1
O8 O 0.7979(4) -0.1930(3) 0.5504(2) 0.0424(15) Uani 1 1 d . . . B 1
H8 H 0.835234 -0.158561 0.531858 0.064 Uiso 1 1 calc R U . B 1
P6 P 0.60232(14) -0.61281(10) 0.68434(6) 0.0321(4) Uani 1 1 d . . . B 1
P7 P 0.64678(14) -0.33692(11) 0.63055(7) 0.0336(5) Uani 1 1 d . . . B 1
P8 P 0.89377(14) -0.37753(11) 0.64263(7) 0.0335(5) Uani 1 1 d . . . B 1
P9 P 0.65128(13) -0.34050(10) 0.51319(6) 0.0279(4) Uani 1 1 d . . . B 1
P10 P 0.69072(17) -0.06000(12) 0.58853(11) 0.0550(7) Uani 1 1 d . . . B 1
Pd7 Pd 0.64414(4) -0.51105(3) 0.65226(2) 0.02800(13) Uani 1 1 d . . . B 1
Pd8 Pd 0.82489(4) -0.45790(3) 0.62579(2) 0.02754(13) Uani 1 1 d . . . B 1
Pd9 Pd 0.69448(4) -0.43521(3) 0.56066(2) 0.02486(13) Uani 1 1 d . . . B 1
Pd10 Pd 0.84632(4) -0.28218(3) 0.59687(2) 0.03202(14) Uani 1 1 d . . . B 1
Pd11 Pd 0.72480(4) -0.26010(3) 0.52742(2) 0.02926(14) Uani 1 1 d . . . B 1
Pd12 Pd 0.69423(4) -0.16976(3) 0.59230(2) 0.03843(16) Uani 1 1 d . . . B 1
C197 C 0.8963(8) -0.6523(8) 0.5727(6) 0.088(5) Uani 1 1 d . . . . .
H19A H 0.926404 -0.657749 0.599303 0.106 Uiso 1 1 calc R U . . .
H19B H 0.921423 -0.615321 0.550444 0.106 Uiso 1 1 calc R U . . .
C198 C 0.9052(12) -0.7186(11) 0.5587(8) 0.144(8) Uani 1 1 d . U . . .
H19C H 0.950017 -0.716617 0.535112 0.173 Uiso 1 1 calc R U . . .
H19D H 0.922416 -0.757391 0.582644 0.173 Uiso 1 1 calc R U . . .
C199 C 0.8247(8) -0.7270(7) 0.5453(5) 0.077(4) Uani 1 1 d . . . . .
H19E H 0.799863 -0.768334 0.563474 0.092 Uiso 1 1 calc R U . . .
H19F H 0.829220 -0.730584 0.515365 0.092 Uiso 1 1 calc R U . . .
C200 C 0.7736(10) -0.6669(9) 0.5496(7) 0.118(6) Uani 1 1 d . U . . .
H20A H 0.771487 -0.633408 0.521601 0.141 Uiso 1 1 calc R U . . .
H20B H 0.713477 -0.678089 0.559365 0.141 Uiso 1 1 calc R U . . .
O15 O 0.8092(4) -0.6379(4) 0.5791(3) 0.0577(19) Uani 1 1 d . . . . .
C173 C 1.2119(7) -0.8411(5) 0.9723(3) 0.052(2) Uani 1 1 d . . . . .
H17D H 1.275374 -0.837693 0.967916 0.062 Uiso 1 1 calc R U . . .
H17E H 1.199642 -0.873729 0.999834 0.062 Uiso 1 1 calc R U . . .
C174 C 1.1656(9) -0.7724(6) 0.9715(5) 0.080(4) Uani 1 1 d . . . . .
H17F H 1.206896 -0.736433 0.963484 0.096 Uiso 1 1 calc R U . . .
H17G H 1.137740 -0.771671 0.999798 0.096 Uiso 1 1 calc R U . . .
C175 C 1.0982(8) -0.7608(5) 0.9389(4) 0.060(3) Uani 1 1 d . . . . .
H17H H 1.117157 -0.729788 0.911732 0.072 Uiso 1 1 calc R U . . .
H17I H 1.041737 -0.742054 0.949350 0.072 Uiso 1 1 calc R U . . .
C176 C 1.0932(6) -0.8333(5) 0.9340(4) 0.050(2) Uani 1 1 d . . . . .
H17J H 1.053460 -0.858778 0.956330 0.061 Uiso 1 1 calc R U . . .
H17K H 1.072783 -0.832582 0.905716 0.061 Uiso 1 1 calc R U . . .
O9 O 1.1794(4) -0.8627(3) 0.9383(2) 0.0510(17) Uani 1 1 d . . . . .
C177 C 0.9772(8) -0.6400(7) 1.0011(4) 0.072(3) Uani 1 1 d . . . . .
H17L H 0.961072 -0.679831 0.991764 0.087 Uiso 1 1 calc R U . . .
H17M H 1.029004 -0.654252 1.018217 0.087 Uiso 1 1 calc R U . . .
C178 C 0.9963(11) -0.5831(9) 0.9634(5) 0.104(6) Uani 1 1 d . . . . .
H17N H 1.046116 -0.559502 0.968395 0.125 Uiso 1 1 calc R U . . .
H17O H 1.010659 -0.600950 0.937798 0.125 Uiso 1 1 calc R U . . .
C179 C 0.9199(9) -0.5374(7) 0.9580(4) 0.077(4) Uani 1 1 d . . . . .
H17P H 0.890380 -0.540353 0.932621 0.092 Uiso 1 1 calc R U . . .
H17Q H 0.934745 -0.489750 0.954167 0.092 Uiso 1 1 calc R U . . .
C180 C 0.8620(7) -0.5581(5) 0.9972(4) 0.060(3) Uani 1 1 d . . . . .
H18A H 0.849346 -0.519663 1.011062 0.072 Uiso 1 1 calc R U . . .
H18B H 0.806475 -0.571514 0.989925 0.072 Uiso 1 1 calc R U . . .
O10 O 0.9075(5) -0.6154(4) 1.0254(2) 0.0543(18) Uani 1 1 d . . . . .
C201 C 0.9849(11) -0.1421(8) 0.4729(5) 0.100(5) Uani 1 1 d . U . . .
H20C H 0.962802 -0.180979 0.464699 0.120 Uiso 1 1 calc R U . . .
H20D H 1.036559 -0.158963 0.489756 0.120 Uiso 1 1 calc R U . . .
C202 C 1.0064(14) -0.0887(10) 0.4352(7) 0.137(8) Uani 1 1 d . U . . .
H20E H 1.024957 -0.108896 0.410863 0.165 Uiso 1 1 calc R U . . .
H20F H 1.054117 -0.063459 0.440707 0.165 Uiso 1 1 calc R U . . .
C203 C 0.9272(11) -0.0427(9) 0.4260(6) 0.110(6) Uani 1 1 d . U . . .
H20G H 0.940253 0.005443 0.414385 0.132 Uiso 1 1 calc R U . . .
H20H H 0.890858 -0.056703 0.406394 0.132 Uiso 1 1 calc R U . . .
C204 C 0.8890(14) -0.0537(11) 0.4673(6) 0.151(9) Uani 1 1 d . U . . .
H20I H 0.896086 -0.013111 0.478140 0.181 Uiso 1 1 calc R U . . .
H20J H 0.825866 -0.056021 0.465534 0.181 Uiso 1 1 calc R U . . .
O16 O 0.9186(6) -0.1102(4) 0.4969(3) 0.079(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
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.502(12) . ?
C1 Pd1 2.033(9) . ?
C2 C3 1.398(13) . ?
C2 C7 1.388(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.357(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.396(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(14) . ?
C6 H6 0.9500 . ?
C6 C7 1.387(12) . ?
C7 P1 1.797(9) . ?
C8 C9 1.406(13) . ?
C8 C13 1.394(13) . ?
C8 P1 1.832(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.399(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.363(15) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(15) . ?
C12 H12 0.9500 . ?
C12 C13 1.395(13) . ?
C13 C14 1.521(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.394(12) . ?
C15 C20 1.400(12) . ?
C15 P1 1.815(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.394(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.366(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(13) . ?
C20 C21 1.494(13) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 P2 1.879(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 P2 1.865(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.506(12) . ?
C24 Pd2 2.025(9) . ?
C25 C26 1.395(13) . ?
C25 C30 1.395(13) . ?
C26 H26 0.9500 . ?
C26 C27 1.407(15) . ?
C27 H27 0.9500 . ?
C27 C28 1.367(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.367(13) . ?
C29 H29 0.9500 . ?
C29 C30 1.398(12) . ?
C30 P3 1.824(9) . ?
C31 C32 1.384(14) . ?
C31 C36 1.401(14) . ?
C31 P3 1.854(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.408(15) . ?
C33 H33 0.9500 . ?
C33 C34 1.344(19) . ?
C34 H34 0.9500 . ?
C34 C35 1.38(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.425(17) . ?
C36 C37 1.506(17) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.395(13) . ?
C38 C43 1.417(13) . ?
C38 Pd3 1.975(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.392(13) . ?
C40 H40 0.9500 . ?
C40 C41 1.350(15) . ?
C41 H41 0.9500 . ?
C41 C42 1.422(14) . ?
C42 H42 0.9500 . ?
C42 C43 1.379(13) . ?
C43 C44 1.505(13) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.502(10) . ?
C45 Pd5 2.011(8) . ?
C46 C47 1.393(11) . ?
C46 C51 1.390(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.393(12) . ?
C48 H48 0.9500 . ?
C48 C49 1.382(13) . ?
C49 H49 0.9500 . ?
C49 C50 1.389(12) . ?
C50 H50 0.9500 . ?
C50 C51 1.387(10) . ?
C51 P4 1.834(8) . ?
C52 C53 1.401(11) . ?
C52 C57 1.394(11) . ?
C52 P4 1.840(8) . ?
C53 H53 0.9500 . ?
C53 C54 1.396(13) . ?
C54 H54 0.9500 . ?
C54 C55 1.383(13) . ?
C55 H55 0.9500 . ?
C55 C56 1.384(13) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(12) . ?
C57 C58 1.512(12) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.397(12) . ?
C59 C64 1.404(12) . ?
C59 Pd4 1.974(9) . ?
C60 H60 0.9500 . ?
C60 C61 1.413(13) . ?
C61 H61 0.9500 . ?
C61 C62 1.386(15) . ?
C62 H62 0.9500 . ?
C62 C63 1.417(14) . ?
C63 H63 0.9500 . ?
C63 C64 1.373(12) . ?
C64 C65 1.509(12) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.504(12) . ?
C66 Pd6 2.028(9) . ?
C67 C68 1.392(13) . ?
C67 C72 1.375(12) . ?
C68 H68 0.9500 . ?
C68 C69 1.423(14) . ?
C69 H69 0.9500 . ?
C69 C70 1.363(14) . ?
C70 H70 0.9500 . ?
C70 C71 1.381(13) . ?
C71 H71 0.9500 . ?
C71 C72 1.399(11) . ?
C72 P5 1.810(9) . ?
C73 C74 1.407(12) . ?
C73 C78 1.380(11) . ?
C73 P5 1.831(8) . ?
C74 H74 0.9500 . ?
C74 C75 1.370(13) . ?
C75 H75 0.9500 . ?
C75 C76 1.378(14) . ?
C76 H76 0.9500 . ?
C76 C77 1.408(12) . ?
C77 H77 0.9500 . ?
C77 C78 1.384(12) . ?
C78 C79 1.494(10) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.397(13) . ?
C80 C85 1.416(14) . ?
C80 P5 1.814(9) . ?
C81 H81 0.9500 . ?
C81 C82 1.413(15) . ?
C82 H82 0.9500 . ?
C82 C83 1.377(17) . ?
C83 H83 0.9500 . ?
C83 C84 1.350(17) . ?
C84 H84 0.9500 . ?
C84 C85 1.414(13) . ?
C85 C86 1.472(14) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
O1 H1 1.0000 . ?
O1 Pd1 2.140(5) . ?
O1 Pd2 2.166(5) . ?
O1 Pd3 2.153(5) . ?
O2 P2 1.631(5) . ?
O2 Pd1 2.139(5) . ?
O2 Pd2 2.225(5) . ?
O2 Pd3 2.262(5) . ?
O3 P2 1.647(5) . ?
O3 Pd4 2.248(5) . ?
O3 Pd5 2.214(5) . ?
O3 Pd6 2.128(5) . ?
O4 H4A 1.0000 . ?
O4 Pd4 2.130(5) . ?
O4 Pd5 2.137(5) . ?
O4 Pd6 2.121(5) . ?
P1 Pd1 2.201(2) . ?
P3 Pd2 2.217(2) . ?
P3 Pd4 2.227(2) . ?
P4 Pd3 2.2382(19) . ?
P4 Pd5 2.2181(19) . ?
P5 Pd6 2.203(2) . ?
Pd1 Pd2 3.0422(8) . ?
Pd1 Pd3 3.1344(8) . ?
Pd2 Pd3 3.0113(8) . ?
Pd4 Pd5 2.9489(7) . ?
Pd4 Pd6 3.0787(8) . ?
Pd5 Pd6 3.0517(8) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.498(12) . ?
C87 Pd7 2.046(9) . ?
C88 C89 1.399(13) . ?
C88 C93 1.395(12) . ?
C89 H89 0.9500 . ?
C89 C90 1.399(13) . ?
C90 H90 0.9500 . ?
C90 C91 1.380(14) . ?
C91 H91 0.9500 . ?
C91 C92 1.387(13) . ?
C92 H92 0.9500 . ?
C92 C93 1.394(12) . ?
C93 P6 1.800(9) . ?
C94 C95 1.384(13) . ?
C94 C99 1.401(14) . ?
C94 P6 1.846(8) . ?
C95 H95 0.9500 . ?
C95 C96 1.403(13) . ?
C96 H96 0.9500 . ?
C96 C97 1.364(16) . ?
C97 H97 0.9500 . ?
C97 C98 1.373(17) . ?
C98 H98 0.9500 . ?
C98 C99 1.376(14) . ?
C99 C100 1.516(15) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.407(11) . ?
C101 C106 1.374(12) . ?
C101 P6 1.834(8) . ?
C102 H102 0.9500 . ?
C102 C103 1.391(13) . ?
C103 H103 0.9500 . ?
C103 C104 1.365(14) . ?
C104 H104 0.9500 . ?
C104 C105 1.392(12) . ?
C105 H105 0.9500 . ?
C105 C106 1.387(12) . ?
C106 C107 1.508(11) . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C108 P7 1.856(8) . ?
C109 H10J 0.9800 . ?
C109 H10K 0.9800 . ?
C109 H10L 0.9800 . ?
C109 P7 1.864(9) . ?
C110 C111 1.395(12) . ?
C110 C115 1.405(13) . ?
C110 Pd8 1.981(8) . ?
C111 H111 0.9500 . ?
C111 C112 1.396(14) . ?
C112 H112 0.9500 . ?
C112 C113 1.367(16) . ?
C113 H113 0.9500 . ?
C113 C114 1.411(16) . ?
C114 H114 0.9500 . ?
C114 C115 1.366(13) . ?
C115 C116 1.505(12) . ?
C116 H11A 0.9800 . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C117 H11D 0.9900 . ?
C117 H11E 0.9900 . ?
C117 C118 1.498(11) . ?
C117 Pd9 2.016(8) . ?
C118 C119 1.394(12) . ?
C118 C123 1.381(11) . ?
C119 H119 0.9500 . ?
C119 C120 1.396(13) . ?
C120 H120 0.9500 . ?
C120 C121 1.380(14) . ?
C121 H121 0.9500 . ?
C121 C122 1.400(13) . ?
C122 H122 0.9500 . ?
C122 C123 1.387(11) . ?
C123 P9 1.832(8) . ?
C124 C125 1.406(12) . ?
C124 C129 1.408(12) . ?
C124 P9 1.830(8) . ?
C125 H125 0.9500 . ?
C125 C126 1.380(13) . ?
C126 H126 0.9500 . ?
C126 C127 1.365(14) . ?
C127 H127 0.9500 . ?
C127 C128 1.396(14) . ?
C128 H128 0.9500 . ?
C128 C129 1.393(13) . ?
C129 C130 1.508(12) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9900 . ?
C131 H13E 0.9900 . ?
C131 C132 1.509(13) . ?
C131 Pd10 2.017(9) . ?
C132 C133 1.385(13) . ?
C132 C137 1.387(14) . ?
C133 H133 0.9500 . ?
C133 C134 1.372(14) . ?
C134 H134 0.9500 . ?
C134 C135 1.387(15) . ?
C135 H135 0.9500 . ?
C135 C136 1.381(13) . ?
C136 H136 0.9500 . ?
C136 C137 1.408(12) . ?
C137 P8 1.826(8) . ?
C138 C139 1.396(14) . ?
C138 C143 1.401(14) . ?
C138 P8 1.844(9) . ?
C139 H139 0.9500 . ?
C139 C140 1.384(14) . ?
C140 H140 0.9500 . ?
C140 C141 1.37(2) . ?
C141 H141 0.9500 . ?
C141 C142 1.34(2) . ?
C142 H142 0.9500 . ?
C142 C143 1.445(17) . ?
C143 C144 1.465(17) . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 C146 1.411(12) . ?
C145 C150 1.398(13) . ?
C145 Pd11 1.995(9) . ?
C146 H146 0.9500 . ?
C146 C147 1.375(14) . ?
C147 H147 0.9500 . ?
C147 C148 1.367(15) . ?
C148 H148 0.9500 . ?
C148 C149 1.401(14) . ?
C149 H149 0.9500 . ?
C149 C150 1.377(12) . ?
C150 C151 1.486(12) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C152 H15D 0.9900 . ?
C152 H15E 0.9900 . ?
C152 C153 1.487(13) . ?
C152 Pd12 2.023(10) . ?
C153 C154 1.398(16) . ?
C153 C158 1.429(16) . ?
C154 H154 0.9500 . ?
C154 C155 1.368(17) . ?
C155 H155 0.9500 . ?
C155 C156 1.40(2) . ?
C156 H156 0.9500 . ?
C156 C157 1.393(18) . ?
C157 H157 0.9500 . ?
C157 C158 1.399(15) . ?
C158 P10 1.788(11) . ?
C159 C160 1.406(18) . ?
C159 C164 1.39(2) . ?
C159 P10 1.773(14) . ?
C160 H160 0.9500 . ?
C160 C161 1.38(2) . ?
C161 H161 0.9500 . ?
C161 C162 1.34(2) . ?
C162 H162 0.9500 . ?
C162 C163 1.37(2) . ?
C163 H163 0.9500 . ?
C163 C164 1.464(19) . ?
C164 C165 1.53(2) . ?
C165 H16A 0.9800 . ?
C165 H16B 0.9800 . ?
C165 H16C 0.9800 . ?
C166 C167 1.45(2) . ?
C166 C171 1.353(19) . ?
C166 P10 1.875(14) . ?
C167 H167 0.9500 . ?
C167 C168 1.40(2) . ?
C168 H168 0.9500 . ?
C168 C169 1.42(2) . ?
C169 H169 0.9500 . ?
C169 C170 1.41(2) . ?
C170 H170 0.9500 . ?
C170 C171 1.43(2) . ?
C171 C172 1.450(18) . ?
C172 H17A 0.9800 . ?
C172 H17B 0.9800 . ?
C172 H17C 0.9800 . ?
O5 H5A 1.0000 . ?
O5 Pd7 2.123(5) . ?
O5 Pd8 2.135(5) . ?
O5 Pd9 2.137(5) . ?
O6 P7 1.626(6) . ?
O6 Pd7 2.152(5) . ?
O6 Pd8 2.260(5) . ?
O6 Pd9 2.213(5) . ?
O7 P7 1.647(6) . ?
O7 Pd10 2.238(5) . ?
O7 Pd11 2.232(6) . ?
O7 Pd12 2.141(5) . ?
O8 H8 1.0000 . ?
O8 Pd10 2.158(7) . ?
O8 Pd11 2.150(6) . ?
O8 Pd12 2.121(6) . ?
P6 Pd7 2.201(2) . ?
P8 Pd8 2.228(2) . ?
P8 Pd10 2.223(2) . ?
P9 Pd9 2.223(2) . ?
P9 Pd11 2.233(2) . ?
P10 Pd12 2.192(3) . ?
Pd7 Pd8 3.0824(8) . ?
Pd7 Pd9 3.0710(8) . ?
Pd8 Pd9 2.9600(8) . ?
Pd10 Pd11 2.9700(8) . ?
Pd10 Pd12 3.0982(9) . ?
Pd11 Pd12 3.1028(9) . ?
C197 H19A 0.9900 . ?
C197 H19B 0.9900 . ?
C197 C198 1.51(2) . ?
C197 O15 1.365(14) . ?
C198 H19C 0.9900 . ?
C198 H19D 0.9900 . ?
C198 C199 1.39(2) . ?
C199 H19E 0.9900 . ?
C199 H19F 0.9900 . ?
C199 C200 1.417(17) . ?
C200 H20A 0.9900 . ?
C200 H20B 0.9900 . ?
C200 O15 1.413(15) . ?
C173 H17D 0.9900 . ?
C173 H17E 0.9900 . ?
C173 C174 1.496(15) . ?
C173 O9 1.425(11) . ?
C174 H17F 0.9900 . ?
C174 H17G 0.9900 . ?
C174 C175 1.505(16) . ?
C175 H17H 0.9900 . ?
C175 H17I 0.9900 . ?
C175 C176 1.525(14) . ?
C176 H17J 0.9900 . ?
C176 H17K 0.9900 . ?
C176 O9 1.411(11) . ?
C177 H17L 0.9900 . ?
C177 H17M 0.9900 . ?
C177 C178 1.489(18) . ?
C177 O10 1.415(13) . ?
C178 H17N 0.9900 . ?
C178 H17O 0.9900 . ?
C178 C179 1.42(2) . ?
C179 H17P 0.9900 . ?
C179 H17Q 0.9900 . ?
C179 C180 1.495(16) . ?
C180 H18A 0.9900 . ?
C180 H18B 0.9900 . ?
C180 O10 1.446(13) . ?
C201 H20C 0.9900 . ?
C201 H20D 0.9900 . ?
C201 C202 1.46(2) . ?
C201 O16 1.441(16) . ?
C202 H20E 0.9900 . ?
C202 H20F 0.9900 . ?
C202 C203 1.47(2) . ?
C203 H20G 0.9900 . ?
C203 H20H 0.9900 . ?
C203 C204 1.40(2) . ?
C204 H20I 0.9900 . ?
C204 H20J 0.9900 . ?
C204 O16 1.363(18) . ?

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
H1A C1 H1B 107.1 . . ?
C2 C1 H1A 107.8 . . ?
C2 C1 H1B 107.8 . . ?
C2 C1 Pd1 118.1(6) . . ?
Pd1 C1 H1A 107.8 . . ?
Pd1 C1 H1B 107.8 . . ?
C3 C2 C1 123.7(9) . . ?
C7 C2 C1 117.5(8) . . ?
C7 C2 C3 118.8(9) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.5(9) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.7(9) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.7(9) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.5 . . ?
C7 C6 C5 119.0(9) . . ?
C7 C6 H6 120.5 . . ?
C2 C7 P1 111.4(7) . . ?
C6 C7 C2 121.1(9) . . ?
C6 C7 P1 127.5(7) . . ?
C9 C8 P1 118.3(7) . . ?
C13 C8 C9 119.2(8) . . ?
C13 C8 P1 122.2(7) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.3(10) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.9(10) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.5(9) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(10) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 119.4(9) . . ?
C8 C13 C14 122.0(8) . . ?
C12 C13 C14 118.6(9) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.7(8) . . ?
C16 C15 P1 120.6(6) . . ?
C20 C15 P1 119.4(6) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.0(9) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 120.3 . . ?
C18 C17 C16 119.4(9) . . ?
C18 C17 H17 120.3 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(9) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.2 . . ?
C18 C19 C20 121.5(9) . . ?
C20 C19 H19 119.2 . . ?
C15 C20 C21 123.6(8) . . ?
C19 C20 C15 118.0(9) . . ?
C19 C20 C21 118.3(8) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P2 C22 H22A 109.5 . . ?
P2 C22 H22B 109.5 . . ?
P2 C22 H22C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P2 C23 H23A 109.5 . . ?
P2 C23 H23B 109.5 . . ?
P2 C23 H23C 109.5 . . ?
H24A C24 H24B 107.1 . . ?
C25 C24 H24A 107.8 . . ?
C25 C24 H24B 107.8 . . ?
C25 C24 Pd2 118.2(6) . . ?
Pd2 C24 H24A 107.8 . . ?
Pd2 C24 H24B 107.8 . . ?
C26 C25 C24 121.9(9) . . ?
C30 C25 C24 119.5(8) . . ?
C30 C25 C26 118.7(8) . . ?
C25 C26 H26 120.5 . . ?
C25 C26 C27 119.0(10) . . ?
C27 C26 H26 120.5 . . ?
C26 C27 H27 119.3 . . ?
C28 C27 C26 121.4(10) . . ?
C28 C27 H27 119.3 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0(10) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 119.9(10) . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.9(8) . . ?
C25 C30 P3 112.8(6) . . ?
C29 C30 P3 126.3(7) . . ?
C32 C31 C36 120.1(9) . . ?
C32 C31 P3 117.7(7) . . ?
C36 C31 P3 122.3(8) . . ?
C31 C32 H32 119.2 . . ?
C31 C32 C33 121.5(10) . . ?
C33 C32 H32 119.2 . . ?
C32 C33 H33 120.3 . . ?
C34 C33 C32 119.4(13) . . ?
C34 C33 H33 120.3 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 119.9(12) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 118.5 . . ?
C34 C35 C36 122.9(12) . . ?
C36 C35 H35 118.5 . . ?
C31 C36 C35 116.1(12) . . ?
C31 C36 C37 123.2(10) . . ?
C35 C36 C37 120.7(11) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C43 118.8(8) . . ?
C39 C38 Pd3 121.3(7) . . ?
C43 C38 Pd3 119.8(6) . . ?
C38 C39 H39 119.7 . . ?
C40 C39 C38 120.5(10) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 119.0 . . ?
C41 C40 C39 122.0(10) . . ?
C41 C40 H40 119.0 . . ?
C40 C41 H41 121.1 . . ?
C40 C41 C42 117.8(8) . . ?
C42 C41 H41 121.1 . . ?
C41 C42 H42 119.0 . . ?
C43 C42 C41 122.0(10) . . ?
C43 C42 H42 119.0 . . ?
C38 C43 C44 121.1(8) . . ?
C42 C43 C38 118.8(9) . . ?
C42 C43 C44 120.0(9) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
H45A C45 H45B 107.1 . . ?
C46 C45 H45A 107.7 . . ?
C46 C45 H45B 107.7 . . ?
C46 C45 Pd5 118.5(5) . . ?
Pd5 C45 H45A 107.7 . . ?
Pd5 C45 H45B 107.7 . . ?
C47 C46 C45 122.1(7) . . ?
C51 C46 C45 119.4(7) . . ?
C51 C46 C47 118.5(7) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.6(8) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.1(8) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.1 . . ?
C48 C49 C50 119.8(8) . . ?
C50 C49 H49 120.1 . . ?
C49 C50 H50 120.1 . . ?
C51 C50 C49 119.8(8) . . ?
C51 C50 H50 120.1 . . ?
C46 C51 P4 113.0(6) . . ?
C50 C51 C46 121.2(7) . . ?
C50 C51 P4 125.7(6) . . ?
C53 C52 P4 117.2(6) . . ?
C57 C52 C53 118.6(7) . . ?
C57 C52 P4 124.3(6) . . ?
C52 C53 H53 119.0 . . ?
C54 C53 C52 121.9(8) . . ?
C54 C53 H53 119.0 . . ?
C53 C54 H54 120.6 . . ?
C55 C54 C53 118.9(9) . . ?
C55 C54 H54 120.6 . . ?
C54 C55 H55 120.5 . . ?
C54 C55 C56 119.0(9) . . ?
C56 C55 H55 120.5 . . ?
C55 C56 H56 118.6 . . ?
C57 C56 C55 122.8(8) . . ?
C57 C56 H56 118.6 . . ?
C52 C57 C58 122.3(7) . . ?
C56 C57 C52 118.8(8) . . ?
C56 C57 C58 118.9(7) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C64 118.0(8) . . ?
C60 C59 Pd4 119.7(7) . . ?
C64 C59 Pd4 122.1(6) . . ?
C59 C60 H60 118.9 . . ?
C59 C60 C61 122.1(9) . . ?
C61 C60 H60 118.9 . . ?
C60 C61 H61 120.5 . . ?
C62 C61 C60 119.0(9) . . ?
C62 C61 H61 120.5 . . ?
C61 C62 H62 120.6 . . ?
C61 C62 C63 118.8(9) . . ?
C63 C62 H62 120.6 . . ?
C62 C63 H63 119.1 . . ?
C64 C63 C62 121.8(9) . . ?
C64 C63 H63 119.1 . . ?
C59 C64 C65 120.6(8) . . ?
C63 C64 C59 120.3(8) . . ?
C63 C64 C65 119.0(8) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
H66A C66 H66B 107.4 . . ?
C67 C66 H66A 108.4 . . ?
C67 C66 H66B 108.4 . . ?
C67 C66 Pd6 115.6(6) . . ?
Pd6 C66 H66A 108.4 . . ?
Pd6 C66 H66B 108.4 . . ?
C68 C67 C66 124.3(9) . . ?
C72 C67 C66 117.3(8) . . ?
C72 C67 C68 118.4(8) . . ?
C67 C68 H68 120.4 . . ?
C67 C68 C69 119.2(9) . . ?
C69 C68 H68 120.4 . . ?
C68 C69 H69 119.8 . . ?
C70 C69 C68 120.4(9) . . ?
C70 C69 H69 119.8 . . ?
C69 C70 H70 119.5 . . ?
C69 C70 C71 121.0(9) . . ?
C71 C70 H70 119.5 . . ?
C70 C71 H71 121.0 . . ?
C70 C71 C72 117.9(9) . . ?
C72 C71 H71 121.0 . . ?
C67 C72 C71 122.8(8) . . ?
C67 C72 P5 111.2(6) . . ?
C71 C72 P5 125.9(7) . . ?
C74 C73 P5 117.2(6) . . ?
C78 C73 C74 120.2(8) . . ?
C78 C73 P5 122.5(6) . . ?
C73 C74 H74 119.7 . . ?
C75 C74 C73 120.6(9) . . ?
C75 C74 H74 119.7 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 119.9(9) . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 120.3 . . ?
C75 C76 C77 119.4(9) . . ?
C77 C76 H76 120.3 . . ?
C76 C77 H77 119.4 . . ?
C78 C77 C76 121.1(8) . . ?
C78 C77 H77 119.4 . . ?
C73 C78 C77 118.7(7) . . ?
C73 C78 C79 122.2(8) . . ?
C77 C78 C79 119.0(7) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 C85 120.5(9) . . ?
C81 C80 P5 118.3(8) . . ?
C85 C80 P5 120.5(7) . . ?
C80 C81 H81 120.1 . . ?
C80 C81 C82 119.8(11) . . ?
C82 C81 H81 120.1 . . ?
C81 C82 H82 120.1 . . ?
C83 C82 C81 119.7(10) . . ?
C83 C82 H82 120.1 . . ?
C82 C83 H83 119.9 . . ?
C84 C83 C82 120.2(10) . . ?
C84 C83 H83 119.9 . . ?
C83 C84 H84 118.4 . . ?
C83 C84 C85 123.2(11) . . ?
C85 C84 H84 118.4 . . ?
C80 C85 C86 124.2(8) . . ?
C84 C85 C80 116.5(10) . . ?
C84 C85 C86 119.2(10) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
Pd1 O1 H1 124.7 . . ?
Pd1 O1 Pd2 89.9(2) . . ?
Pd1 O1 Pd3 93.8(2) . . ?
Pd2 O1 H1 124.7 . . ?
Pd3 O1 H1 124.7 . . ?
Pd3 O1 Pd2 88.42(19) . . ?
P2 O2 Pd1 129.8(3) . . ?
P2 O2 Pd2 123.2(3) . . ?
P2 O2 Pd3 126.8(3) . . ?
Pd1 O2 Pd2 88.36(18) . . ?
Pd1 O2 Pd3 90.79(19) . . ?
Pd2 O2 Pd3 84.31(18) . . ?
P2 O3 Pd4 128.7(3) . . ?
P2 O3 Pd5 122.1(3) . . ?
P2 O3 Pd6 130.1(3) . . ?
Pd5 O3 Pd4 82.73(17) . . ?
Pd6 O3 Pd4 89.38(19) . . ?
Pd6 O3 Pd5 89.28(19) . . ?
Pd4 O4 H4A 124.8 . . ?
Pd4 O4 Pd5 87.42(19) . . ?
Pd5 O4 H4A 124.8 . . ?
Pd6 O4 H4A 124.8 . . ?
Pd6 O4 Pd4 92.8(2) . . ?
Pd6 O4 Pd5 91.5(2) . . ?
C7 P1 C8 105.8(4) . . ?
C7 P1 C15 103.8(4) . . ?
C7 P1 Pd1 105.3(3) . . ?
C8 P1 Pd1 111.8(3) . . ?
C15 P1 C8 106.0(4) . . ?
C15 P1 Pd1 122.8(3) . . ?
C23 P2 C22 109.8(4) . . ?
O2 P2 C22 110.0(3) . . ?
O2 P2 C23 109.9(3) . . ?
O2 P2 O3 107.9(3) . . ?
O3 P2 C22 109.7(3) . . ?
O3 P2 C23 109.6(3) . . ?
C30 P3 C31 102.5(4) . . ?
C30 P3 Pd2 104.4(3) . . ?
C30 P3 Pd4 120.2(3) . . ?
C31 P3 Pd2 119.8(3) . . ?
C31 P3 Pd4 107.9(3) . . ?
Pd2 P3 Pd4 102.99(8) . . ?
C51 P4 C52 100.7(3) . . ?
C51 P4 Pd3 122.6(3) . . ?
C51 P4 Pd5 103.6(3) . . ?
C52 P4 Pd3 109.8(3) . . ?
C52 P4 Pd5 117.2(3) . . ?
Pd5 P4 Pd3 103.61(8) . . ?
C72 P5 C73 103.8(4) . . ?
C72 P5 C80 107.7(4) . . ?
C72 P5 Pd6 103.3(3) . . ?
C73 P5 Pd6 126.5(3) . . ?
C80 P5 C73 106.8(4) . . ?
C80 P5 Pd6 107.7(3) . . ?
C1 Pd1 O1 170.1(3) . . ?
C1 Pd1 O2 97.3(3) . . ?
C1 Pd1 P1 81.2(3) . . ?
C1 Pd1 Pd2 128.8(3) . . ?
C1 Pd1 Pd3 128.1(3) . . ?
O1 Pd1 P1 108.59(15) . . ?
O1 Pd1 Pd2 45.39(14) . . ?
O1 Pd1 Pd3 43.26(14) . . ?
O2 Pd1 O1 73.0(2) . . ?
O2 Pd1 P1 175.78(15) . . ?
O2 Pd1 Pd2 46.98(14) . . ?
O2 Pd1 Pd3 46.18(14) . . ?
P1 Pd1 Pd2 131.41(6) . . ?
P1 Pd1 Pd3 137.58(6) . . ?
Pd2 Pd1 Pd3 58.334(18) . . ?
C24 Pd2 O1 96.2(3) . . ?
C24 Pd2 O2 166.6(3) . . ?
C24 Pd2 P3 85.0(3) . . ?
C24 Pd2 Pd1 127.6(3) . . ?
C24 Pd2 Pd3 119.9(3) . . ?
O1 Pd2 O2 70.89(19) . . ?
O1 Pd2 P3 176.34(15) . . ?
O1 Pd2 Pd1 44.72(14) . . ?
O1 Pd2 Pd3 45.62(14) . . ?
O2 Pd2 Pd1 44.66(13) . . ?
O2 Pd2 Pd3 48.36(14) . . ?
P3 Pd2 O2 107.68(14) . . ?
P3 Pd2 Pd1 136.52(6) . . ?
P3 Pd2 Pd3 130.89(6) . . ?
Pd3 Pd2 Pd1 62.365(19) . . ?
C38 Pd3 O1 98.0(3) . . ?
C38 Pd3 O2 167.8(3) . . ?
C38 Pd3 P4 88.9(2) . . ?
C38 Pd3 Pd1 125.4(2) . . ?
C38 Pd3 Pd2 126.9(2) . . ?
O1 Pd3 O2 70.42(19) . . ?
O1 Pd3 P4 170.63(15) . . ?
O1 Pd3 Pd1 42.95(14) . . ?
O1 Pd3 Pd2 45.97(14) . . ?
O2 Pd3 Pd1 43.03(13) . . ?
O2 Pd3 Pd2 47.33(13) . . ?
P4 Pd3 O2 103.08(14) . . ?
P4 Pd3 Pd1 135.92(6) . . ?
P4 Pd3 Pd2 124.67(5) . . ?
Pd2 Pd3 Pd1 59.301(19) . . ?
C59 Pd4 O3 168.0(3) . . ?
C59 Pd4 O4 97.6(3) . . ?
C59 Pd4 P3 89.2(2) . . ?
C59 Pd4 Pd5 126.1(2) . . ?
C59 Pd4 Pd6 125.1(2) . . ?
O3 Pd4 Pd5 48.14(13) . . ?
O3 Pd4 Pd6 43.73(13) . . ?
O4 Pd4 O3 70.96(19) . . ?
O4 Pd4 P3 172.46(15) . . ?
O4 Pd4 Pd5 46.39(14) . . ?
O4 Pd4 Pd6 43.49(14) . . ?
P3 Pd4 O3 102.48(14) . . ?
P3 Pd4 Pd5 126.46(6) . . ?
P3 Pd4 Pd6 133.70(6) . . ?
Pd5 Pd4 Pd6 60.789(18) . . ?
C45 Pd5 O3 166.4(2) . . ?
C45 Pd5 O4 95.0(2) . . ?
C45 Pd5 P4 85.4(2) . . ?
C45 Pd5 Pd4 120.3(2) . . ?
C45 Pd5 Pd6 125.9(2) . . ?
O3 Pd5 P4 108.06(14) . . ?
O3 Pd5 Pd4 49.12(13) . . ?
O3 Pd5 Pd6 44.21(13) . . ?
O4 Pd5 O3 71.49(19) . . ?
O4 Pd5 P4 177.02(15) . . ?
O4 Pd5 Pd4 46.19(14) . . ?
O4 Pd5 Pd6 44.02(14) . . ?
P4 Pd5 Pd4 131.25(5) . . ?
P4 Pd5 Pd6 137.59(6) . . ?
Pd4 Pd5 Pd6 61.707(18) . . ?
C66 Pd6 O3 97.2(3) . . ?
C66 Pd6 O4 170.7(3) . . ?
C66 Pd6 P5 80.7(2) . . ?
C66 Pd6 Pd4 129.3(3) . . ?
C66 Pd6 Pd5 128.6(3) . . ?
O3 Pd6 P5 176.26(15) . . ?
O3 Pd6 Pd4 46.89(13) . . ?
O3 Pd6 Pd5 46.51(14) . . ?
O4 Pd6 O3 73.5(2) . . ?
O4 Pd6 P5 108.53(15) . . ?
O4 Pd6 Pd4 43.72(14) . . ?
O4 Pd6 Pd5 44.44(14) . . ?
P5 Pd6 Pd4 132.51(6) . . ?
P5 Pd6 Pd5 137.10(6) . . ?
Pd5 Pd6 Pd4 57.504(17) . . ?
H87A C87 H87B 107.5 . . ?
C88 C87 H87A 108.5 . . ?
C88 C87 H87B 108.5 . . ?
C88 C87 Pd7 115.0(6) . . ?
Pd7 C87 H87A 108.5 . . ?
Pd7 C87 H87B 108.5 . . ?
C89 C88 C87 123.8(8) . . ?
C93 C88 C87 118.3(8) . . ?
C93 C88 C89 117.9(8) . . ?
C88 C89 H89 119.7 . . ?
C88 C89 C90 120.6(9) . . ?
C90 C89 H89 119.7 . . ?
C89 C90 H90 119.9 . . ?
C91 C90 C89 120.3(9) . . ?
C91 C90 H90 119.9 . . ?
C90 C91 H91 119.9 . . ?
C90 C91 C92 120.1(9) . . ?
C92 C91 H91 119.9 . . ?
C91 C92 H92 120.3 . . ?
C91 C92 C93 119.4(9) . . ?
C93 C92 H92 120.3 . . ?
C88 C93 P6 110.6(6) . . ?
C92 C93 C88 121.6(8) . . ?
C92 C93 P6 127.7(7) . . ?
C95 C94 C99 120.3(8) . . ?
C95 C94 P6 118.3(7) . . ?
C99 C94 P6 120.8(7) . . ?
C94 C95 H95 120.4 . . ?
C94 C95 C96 119.2(10) . . ?
C96 C95 H95 120.4 . . ?
C95 C96 H96 119.7 . . ?
C97 C96 C95 120.7(10) . . ?
C97 C96 H96 119.7 . . ?
C96 C97 H97 120.3 . . ?
C96 C97 C98 119.4(10) . . ?
C98 C97 H97 120.3 . . ?
C97 C98 H98 119.0 . . ?
C97 C98 C99 122.1(11) . . ?
C99 C98 H98 119.0 . . ?
C94 C99 C100 121.3(8) . . ?
C98 C99 C94 118.4(10) . . ?
C98 C99 C100 120.2(10) . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 P6 117.2(7) . . ?
C106 C101 C102 120.5(8) . . ?
C106 C101 P6 122.3(6) . . ?
C101 C102 H102 120.3 . . ?
C103 C102 C101 119.3(9) . . ?
C103 C102 H102 120.3 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0(9) . . ?
C104 C103 H103 120.0 . . ?
C103 C104 H104 119.8 . . ?
C103 C104 C105 120.5(9) . . ?
C105 C104 H104 119.8 . . ?
C104 C105 H105 119.8 . . ?
C106 C105 C104 120.4(8) . . ?
C106 C105 H105 119.8 . . ?
C101 C106 C105 119.3(8) . . ?
C101 C106 C107 121.9(8) . . ?
C105 C106 C107 118.8(7) . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
P7 C108 H10G 109.5 . . ?
P7 C108 H10H 109.5 . . ?
P7 C108 H10I 109.5 . . ?
H10J C109 H10K 109.5 . . ?
H10J C109 H10L 109.5 . . ?
H10K C109 H10L 109.5 . . ?
P7 C109 H10J 109.5 . . ?
P7 C109 H10K 109.5 . . ?
P7 C109 H10L 109.5 . . ?
C111 C110 C115 118.3(8) . . ?
C111 C110 Pd8 119.8(7) . . ?
C115 C110 Pd8 121.8(6) . . ?
C110 C111 H111 119.4 . . ?
C110 C111 C112 121.3(10) . . ?
C112 C111 H111 119.4 . . ?
C111 C112 H112 120.1 . . ?
C113 C112 C111 119.7(10) . . ?
C113 C112 H112 120.1 . . ?
C112 C113 H113 120.2 . . ?
C112 C113 C114 119.6(9) . . ?
C114 C113 H113 120.2 . . ?
C113 C114 H114 119.6 . . ?
C115 C114 C113 120.8(10) . . ?
C115 C114 H114 119.6 . . ?
C110 C115 C116 120.2(8) . . ?
C114 C115 C110 120.3(9) . . ?
C114 C115 C116 119.4(9) . . ?
C115 C116 H11A 109.5 . . ?
C115 C116 H11B 109.5 . . ?
C115 C116 H11C 109.5 . . ?
H11A C116 H11B 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
H11D C117 H11E 107.0 . . ?
C118 C117 H11D 107.5 . . ?
C118 C117 H11E 107.5 . . ?
C118 C117 Pd9 119.2(6) . . ?
Pd9 C117 H11D 107.5 . . ?
Pd9 C117 H11E 107.5 . . ?
C119 C118 C117 121.1(8) . . ?
C123 C118 C117 118.9(7) . . ?
C123 C118 C119 120.0(8) . . ?
C118 C119 H119 120.3 . . ?
C118 C119 C120 119.4(9) . . ?
C120 C119 H119 120.3 . . ?
C119 C120 H120 119.6 . . ?
C121 C120 C119 120.7(9) . . ?
C121 C120 H120 119.6 . . ?
C120 C121 H121 120.3 . . ?
C120 C121 C122 119.4(8) . . ?
C122 C121 H121 120.3 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 119.9(8) . . ?
C123 C122 H122 120.0 . . ?
C118 C123 C122 120.5(8) . . ?
C118 C123 P9 113.5(6) . . ?
C122 C123 P9 126.0(7) . . ?
C125 C124 C129 118.4(8) . . ?
C125 C124 P9 117.6(6) . . ?
C129 C124 P9 124.0(7) . . ?
C124 C125 H125 119.2 . . ?
C126 C125 C124 121.5(9) . . ?
C126 C125 H125 119.2 . . ?
C125 C126 H126 120.1 . . ?
C127 C126 C125 119.8(9) . . ?
C127 C126 H126 120.1 . . ?
C126 C127 H127 119.9 . . ?
C126 C127 C128 120.2(9) . . ?
C128 C127 H127 119.9 . . ?
C127 C128 H128 119.6 . . ?
C129 C128 C127 120.9(9) . . ?
C129 C128 H128 119.6 . . ?
C124 C129 C130 122.3(8) . . ?
C128 C129 C124 119.1(8) . . ?
C128 C129 C130 118.6(8) . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
H13D C131 H13E 107.0 . . ?
C132 C131 H13D 107.5 . . ?
C132 C131 H13E 107.5 . . ?
C132 C131 Pd10 119.1(6) . . ?
Pd10 C131 H13D 107.5 . . ?
Pd10 C131 H13E 107.5 . . ?
C133 C132 C131 122.7(9) . . ?
C133 C132 C137 119.2(9) . . ?
C137 C132 C131 118.1(8) . . ?
C132 C133 H133 119.5 . . ?
C134 C133 C132 121.0(10) . . ?
C134 C133 H133 119.5 . . ?
C133 C134 H134 120.1 . . ?
C133 C134 C135 119.9(9) . . ?
C135 C134 H134 120.1 . . ?
C134 C135 H135 119.7 . . ?
C136 C135 C134 120.6(9) . . ?
C136 C135 H135 119.7 . . ?
C135 C136 H136 120.5 . . ?
C135 C136 C137 118.9(9) . . ?
C137 C136 H136 120.5 . . ?
C132 C137 C136 120.3(8) . . ?
C132 C137 P8 113.8(7) . . ?
C136 C137 P8 125.8(8) . . ?
C139 C138 C143 120.6(9) . . ?
C139 C138 P8 117.1(7) . . ?
C143 C138 P8 122.2(8) . . ?
C138 C139 H139 119.0 . . ?
C140 C139 C138 122.1(11) . . ?
C140 C139 H139 119.0 . . ?
C139 C140 H140 120.9 . . ?
C141 C140 C139 118.2(13) . . ?
C141 C140 H140 120.9 . . ?
C140 C141 H141 119.5 . . ?
C142 C141 C140 120.9(12) . . ?
C142 C141 H141 119.5 . . ?
C141 C142 H142 118.2 . . ?
C141 C142 C143 123.5(13) . . ?
C143 C142 H142 118.2 . . ?
C138 C143 C142 114.6(12) . . ?
C138 C143 C144 124.3(10) . . ?
C142 C143 C144 121.0(11) . . ?
C143 C144 H14D 109.5 . . ?
C143 C144 H14E 109.5 . . ?
C143 C144 H14F 109.5 . . ?
H14D C144 H14E 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
C146 C145 Pd11 120.7(7) . . ?
C150 C145 C146 118.6(8) . . ?
C150 C145 Pd11 120.3(6) . . ?
C145 C146 H146 120.1 . . ?
C147 C146 C145 119.8(10) . . ?
C147 C146 H146 120.1 . . ?
C146 C147 H147 119.0 . . ?
C148 C147 C146 122.0(9) . . ?
C148 C147 H147 119.0 . . ?
C147 C148 H148 120.9 . . ?
C147 C148 C149 118.2(9) . . ?
C149 C148 H148 120.9 . . ?
C148 C149 H149 119.3 . . ?
C150 C149 C148 121.4(10) . . ?
C150 C149 H149 119.3 . . ?
C145 C150 C151 120.0(8) . . ?
C149 C150 C145 119.9(9) . . ?
C149 C150 C151 120.1(9) . . ?
C150 C151 H15A 109.5 . . ?
C150 C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15A C151 H15B 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
H15D C152 H15E 107.0 . . ?
C153 C152 H15D 107.5 . . ?
C153 C152 H15E 107.5 . . ?
C153 C152 Pd12 119.2(8) . . ?
Pd12 C152 H15D 107.5 . . ?
Pd12 C152 H15E 107.5 . . ?
C154 C153 C152 125.2(11) . . ?
C154 C153 C158 116.9(10) . . ?
C158 C153 C152 117.7(10) . . ?
C153 C154 H154 119.1 . . ?
C155 C154 C153 121.8(13) . . ?
C155 C154 H154 119.1 . . ?
C154 C155 H155 119.9 . . ?
C154 C155 C156 120.3(13) . . ?
C156 C155 H155 119.9 . . ?
C155 C156 H156 119.5 . . ?
C157 C156 C155 120.9(12) . . ?
C157 C156 H156 119.5 . . ?
C156 C157 H157 121.0 . . ?
C156 C157 C158 118.0(12) . . ?
C158 C157 H157 121.0 . . ?
C153 C158 P10 110.6(8) . . ?
C157 C158 C153 121.9(11) . . ?
C157 C158 P10 127.5(10) . . ?
C160 C159 P10 120.8(13) . . ?
C164 C159 C160 118.3(15) . . ?
C164 C159 P10 120.9(10) . . ?
C159 C160 H160 118.2 . . ?
C161 C160 C159 123.6(18) . . ?
C161 C160 H160 118.2 . . ?
C160 C161 H161 121.8 . . ?
C162 C161 C160 116.3(16) . . ?
C162 C161 H161 121.8 . . ?
C161 C162 H162 117.3 . . ?
C161 C162 C163 125.5(16) . . ?
C163 C162 H162 117.3 . . ?
C162 C163 H163 121.5 . . ?
C162 C163 C164 117.1(17) . . ?
C164 C163 H163 121.5 . . ?
C159 C164 C163 118.7(15) . . ?
C159 C164 C165 121.4(12) . . ?
C163 C164 C165 119.8(15) . . ?
C164 C165 H16A 109.5 . . ?
C164 C165 H16B 109.5 . . ?
C164 C165 H16C 109.5 . . ?
H16A C165 H16B 109.5 . . ?
H16A C165 H16C 109.5 . . ?
H16B C165 H16C 109.5 . . ?
C167 C166 P10 118.8(12) . . ?
C171 C166 C167 119.2(14) . . ?
C171 C166 P10 121.5(11) . . ?
C166 C167 H167 119.2 . . ?
C168 C167 C166 121.7(17) . . ?
C168 C167 H167 119.2 . . ?
C167 C168 H168 121.3 . . ?
C167 C168 C169 117.4(19) . . ?
C169 C168 H168 121.3 . . ?
C168 C169 H169 119.3 . . ?
C170 C169 C168 121.4(17) . . ?
C170 C169 H169 119.3 . . ?
C169 C170 H170 120.5 . . ?
C169 C170 C171 119.0(16) . . ?
C171 C170 H170 120.5 . . ?
C166 C171 C170 121.1(14) . . ?
C166 C171 C172 123.5(13) . . ?
C170 C171 C172 115.3(13) . . ?
C171 C172 H17A 109.5 . . ?
C171 C172 H17B 109.5 . . ?
C171 C172 H17C 109.5 . . ?
H17A C172 H17B 109.5 . . ?
H17A C172 H17C 109.5 . . ?
H17B C172 H17C 109.5 . . ?
Pd7 O5 H5A 124.6 . . ?
Pd7 O5 Pd8 92.8(2) . . ?
Pd7 O5 Pd9 92.2(2) . . ?
Pd8 O5 H5A 124.6 . . ?
Pd8 O5 Pd9 87.70(19) . . ?
Pd9 O5 H5A 124.6 . . ?
P7 O6 Pd7 129.6(3) . . ?
P7 O6 Pd8 129.7(3) . . ?
P7 O6 Pd9 122.3(3) . . ?
Pd7 O6 Pd8 88.59(19) . . ?
Pd7 O6 Pd9 89.40(19) . . ?
Pd9 O6 Pd8 82.84(18) . . ?
P7 O7 Pd10 121.1(3) . . ?
P7 O7 Pd11 128.4(3) . . ?
P7 O7 Pd12 129.8(3) . . ?
Pd11 O7 Pd10 83.26(19) . . ?
Pd12 O7 Pd10 90.0(2) . . ?
Pd12 O7 Pd11 90.4(2) . . ?
Pd10 O8 H8 124.5 . . ?
Pd11 O8 H8 124.5 . . ?
Pd11 O8 Pd10 87.2(2) . . ?
Pd12 O8 H8 124.5 . . ?
Pd12 O8 Pd10 92.8(3) . . ?
Pd12 O8 Pd11 93.2(2) . . ?
C93 P6 C94 105.8(4) . . ?
C93 P6 C101 104.0(4) . . ?
C93 P6 Pd7 104.2(3) . . ?
C94 P6 Pd7 110.6(3) . . ?
C101 P6 C94 107.4(4) . . ?
C101 P6 Pd7 123.2(3) . . ?
C108 P7 C109 109.6(4) . . ?
O6 P7 C108 110.8(4) . . ?
O6 P7 C109 109.1(3) . . ?
O6 P7 O7 108.1(3) . . ?
O7 P7 C108 109.8(3) . . ?
O7 P7 C109 109.5(4) . . ?
C137 P8 C138 103.8(4) . . ?
C137 P8 Pd8 120.0(3) . . ?
C137 P8 Pd10 103.8(3) . . ?
C138 P8 Pd8 108.2(3) . . ?
C138 P8 Pd10 118.7(3) . . ?
Pd10 P8 Pd8 103.31(9) . . ?
C123 P9 Pd9 103.7(3) . . ?
C123 P9 Pd11 122.3(3) . . ?
C124 P9 C123 102.0(4) . . ?
C124 P9 Pd9 118.2(3) . . ?
C124 P9 Pd11 107.7(3) . . ?
Pd9 P9 Pd11 103.93(8) . . ?
C158 P10 C166 102.9(6) . . ?
C158 P10 Pd12 105.8(4) . . ?
C159 P10 C158 104.4(6) . . ?
C159 P10 C166 108.4(8) . . ?
C159 P10 Pd12 121.5(5) . . ?
C166 P10 Pd12 111.9(5) . . ?
C87 Pd7 O5 170.6(3) . . ?
C87 Pd7 O6 97.5(3) . . ?
C87 Pd7 P6 81.1(2) . . ?
C87 Pd7 Pd8 129.9(3) . . ?
C87 Pd7 Pd9 128.2(3) . . ?
O5 Pd7 O6 73.2(2) . . ?
O5 Pd7 P6 108.20(15) . . ?
O5 Pd7 Pd8 43.78(14) . . ?
O5 Pd7 Pd9 44.07(13) . . ?
O6 Pd7 P6 177.42(15) . . ?
O6 Pd7 Pd8 47.15(14) . . ?
O6 Pd7 Pd9 46.11(14) . . ?
P6 Pd7 Pd8 132.43(6) . . ?
P6 Pd7 Pd9 136.36(6) . . ?
Pd9 Pd7 Pd8 57.506(17) . . ?
C110 Pd8 O5 98.6(3) . . ?
C110 Pd8 O6 169.0(3) . . ?
C110 Pd8 P8 89.1(2) . . ?
C110 Pd8 Pd7 125.6(2) . . ?
C110 Pd8 Pd9 126.6(2) . . ?
O5 Pd8 O6 70.82(19) . . ?
O5 Pd8 P8 171.72(15) . . ?
O5 Pd8 Pd7 43.46(14) . . ?
O5 Pd8 Pd9 46.18(13) . . ?
O6 Pd8 Pd7 44.27(13) . . ?
O6 Pd8 Pd9 47.90(13) . . ?
P8 Pd8 O6 101.65(14) . . ?
P8 Pd8 Pd7 132.90(6) . . ?
P8 Pd8 Pd9 126.19(6) . . ?
Pd9 Pd8 Pd7 61.053(18) . . ?
C117 Pd9 O5 95.9(3) . . ?
C117 Pd9 O6 167.5(3) . . ?
C117 Pd9 P9 84.7(2) . . ?
C117 Pd9 Pd7 126.5(2) . . ?
C117 Pd9 Pd8 120.9(2) . . ?
O5 Pd9 O6 71.70(19) . . ?
O5 Pd9 P9 175.79(15) . . ?
O5 Pd9 Pd7 43.69(14) . . ?
O5 Pd9 Pd8 46.12(14) . . ?
O6 Pd9 P9 107.57(14) . . ?
O6 Pd9 Pd7 44.49(13) . . ?
O6 Pd9 Pd8 49.26(14) . . ?
P9 Pd9 Pd7 138.47(6) . . ?
P9 Pd9 Pd8 130.20(5) . . ?
Pd8 Pd9 Pd7 61.441(18) . . ?
C131 Pd10 O7 166.0(3) . . ?
C131 Pd10 O8 96.3(3) . . ?
C131 Pd10 P8 84.7(3) . . ?
C131 Pd10 Pd11 119.6(3) . . ?
C131 Pd10 Pd12 127.7(3) . . ?
O7 Pd10 Pd11 48.28(14) . . ?
O7 Pd10 Pd12 43.72(13) . . ?
O8 Pd10 O7 70.2(2) . . ?
O8 Pd10 P8 176.87(17) . . ?
O8 Pd10 Pd11 46.30(15) . . ?
O8 Pd10 Pd12 43.15(17) . . ?
P8 Pd10 O7 108.61(15) . . ?
P8 Pd10 Pd11 130.70(6) . . ?
P8 Pd10 Pd12 137.83(6) . . ?
Pd11 Pd10 Pd12 61.46(2) . . ?
C145 Pd11 O7 168.3(3) . . ?
C145 Pd11 O8 97.9(3) . . ?
C145 Pd11 P9 89.7(2) . . ?
C145 Pd11 Pd10 124.1(2) . . ?
C145 Pd11 Pd12 126.5(2) . . ?
O7 Pd11 P9 102.05(15) . . ?
O7 Pd11 Pd10 48.46(14) . . ?
O7 Pd11 Pd12 43.64(13) . . ?
O8 Pd11 O7 70.4(2) . . ?
O8 Pd11 P9 171.39(19) . . ?
O8 Pd11 Pd10 46.53(17) . . ?
O8 Pd11 Pd12 43.05(17) . . ?
P9 Pd11 Pd10 125.37(5) . . ?
P9 Pd11 Pd12 133.65(6) . . ?
Pd10 Pd11 Pd12 61.31(2) . . ?
C152 Pd12 O7 97.8(3) . . ?
C152 Pd12 O8 170.2(3) . . ?
C152 Pd12 P10 82.5(3) . . ?
C152 Pd12 Pd10 130.4(3) . . ?
C152 Pd12 Pd11 127.4(3) . . ?
O7 Pd12 P10 177.81(17) . . ?
O7 Pd12 Pd10 46.26(14) . . ?
O7 Pd12 Pd11 46.01(15) . . ?
O8 Pd12 O7 72.7(2) . . ?
O8 Pd12 P10 107.11(18) . . ?
O8 Pd12 Pd10 44.08(18) . . ?
O8 Pd12 Pd11 43.78(15) . . ?
P10 Pd12 Pd10 132.16(8) . . ?
P10 Pd12 Pd11 135.31(9) . . ?
Pd10 Pd12 Pd11 57.235(19) . . ?
H19A C197 H19B 108.8 . . ?
C198 C197 H19A 110.7 . . ?
C198 C197 H19B 110.7 . . ?
O15 C197 H19A 110.7 . . ?
O15 C197 H19B 110.7 . . ?
O15 C197 C198 105.3(11) . . ?
C197 C198 H19C 110.3 . . ?
C197 C198 H19D 110.3 . . ?
H19C C198 H19D 108.5 . . ?
C199 C198 C197 107.2(14) . . ?
C199 C198 H19C 110.3 . . ?
C199 C198 H19D 110.3 . . ?
C198 C199 H19E 111.1 . . ?
C198 C199 H19F 111.1 . . ?
C198 C199 C200 103.5(12) . . ?
H19E C199 H19F 109.0 . . ?
C200 C199 H19E 111.1 . . ?
C200 C199 H19F 111.1 . . ?
C199 C200 H20A 109.6 . . ?
C199 C200 H20B 109.6 . . ?
H20A C200 H20B 108.1 . . ?
O15 C200 C199 110.2(12) . . ?
O15 C200 H20A 109.6 . . ?
O15 C200 H20B 109.6 . . ?
C197 O15 C200 102.7(9) . . ?
H17D C173 H17E 108.7 . . ?
C174 C173 H17D 110.6 . . ?
C174 C173 H17E 110.6 . . ?
O9 C173 H17D 110.6 . . ?
O9 C173 H17E 110.6 . . ?
O9 C173 C174 105.7(9) . . ?
C173 C174 H17F 110.5 . . ?
C173 C174 H17G 110.5 . . ?
C173 C174 C175 106.4(9) . . ?
H17F C174 H17G 108.6 . . ?
C175 C174 H17F 110.5 . . ?
C175 C174 H17G 110.5 . . ?
C174 C175 H17H 111.5 . . ?
C174 C175 H17I 111.5 . . ?
C174 C175 C176 101.3(9) . . ?
H17H C175 H17I 109.3 . . ?
C176 C175 H17H 111.5 . . ?
C176 C175 H17I 111.5 . . ?
C175 C176 H17J 111.0 . . ?
C175 C176 H17K 111.0 . . ?
H17J C176 H17K 109.0 . . ?
O9 C176 C175 103.9(8) . . ?
O9 C176 H17J 111.0 . . ?
O9 C176 H17K 111.0 . . ?
C176 O9 C173 106.3(7) . . ?
H17L C177 H17M 108.5 . . ?
C178 C177 H17L 110.3 . . ?
C178 C177 H17M 110.3 . . ?
O10 C177 H17L 110.3 . . ?
O10 C177 H17M 110.3 . . ?
O10 C177 C178 107.3(11) . . ?
C177 C178 H17N 110.4 . . ?
C177 C178 H17O 110.4 . . ?
H17N C178 H17O 108.6 . . ?
C179 C178 C177 106.4(11) . . ?
C179 C178 H17N 110.4 . . ?
C179 C178 H17O 110.4 . . ?
C178 C179 H17P 110.3 . . ?
C178 C179 H17Q 110.3 . . ?
C178 C179 C180 107.0(11) . . ?
H17P C179 H17Q 108.6 . . ?
C180 C179 H17P 110.3 . . ?
C180 C179 H17Q 110.3 . . ?
C179 C180 H18A 110.3 . . ?
C179 C180 H18B 110.3 . . ?
H18A C180 H18B 108.5 . . ?
O10 C180 C179 107.2(9) . . ?
O10 C180 H18A 110.3 . . ?
O10 C180 H18B 110.3 . . ?
C177 O10 C180 107.2(9) . . ?
H20C C201 H20D 108.8 . . ?
C202 C201 H20C 110.7 . . ?
C202 C201 H20D 110.7 . . ?
O16 C201 H20C 110.7 . . ?
O16 C201 H20D 110.7 . . ?
O16 C201 C202 105.4(13) . . ?
C201 C202 H20E 110.4 . . ?
C201 C202 H20F 110.4 . . ?
C201 C202 C203 106.4(15) . . ?
H20E C202 H20F 108.6 . . ?
C203 C202 H20E 110.4 . . ?
C203 C202 H20F 110.4 . . ?
C202 C203 H20G 112.0 . . ?
C202 C203 H20H 112.0 . . ?
H20G C203 H20H 109.7 . . ?
C204 C203 C202 98.6(15) . . ?
C204 C203 H20G 112.0 . . ?
C204 C203 H20H 112.0 . . ?
C203 C204 H20I 107.8 . . ?
C203 C204 H20J 107.8 . . ?
H20I C204 H20J 107.2 . . ?
O16 C204 C203 117.9(17) . . ?
O16 C204 H20I 107.8 . . ?
O16 C204 H20J 107.8 . . ?
C204 O16 C201 102.8(12) . . ?

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
C1 C2 C3 C4 178.5(10) . . . . ?
C1 C2 C7 C6 -178.6(9) . . . . ?
C1 C2 C7 P1 1.2(11) . . . . ?
C2 C3 C4 C5 1.7(17) . . . . ?
C2 C7 P1 C8 100.8(7) . . . . ?
C2 C7 P1 C15 -147.8(7) . . . . ?
C2 C7 P1 Pd1 -17.7(7) . . . . ?
C3 C2 C7 C6 3.6(14) . . . . ?
C3 C2 C7 P1 -176.6(8) . . . . ?
C3 C4 C5 C6 0.8(16) . . . . ?
C4 C5 C6 C7 -1.0(15) . . . . ?
C5 C6 C7 C2 -1.2(14) . . . . ?
C5 C6 C7 P1 179.0(7) . . . . ?
C6 C7 P1 C8 -79.3(9) . . . . ?
C6 C7 P1 C15 32.0(9) . . . . ?
C6 C7 P1 Pd1 162.2(8) . . . . ?
C7 C2 C3 C4 -3.8(15) . . . . ?
C8 C9 C10 C11 -1.7(15) . . . . ?
C9 C8 C13 C12 0.7(13) . . . . ?
C9 C8 C13 C14 -178.9(9) . . . . ?
C9 C8 P1 C7 -7.5(8) . . . . ?
C9 C8 P1 C15 -117.4(7) . . . . ?
C9 C8 P1 Pd1 106.6(7) . . . . ?
C9 C10 C11 C12 1.5(16) . . . . ?
C10 C11 C12 C13 -0.3(16) . . . . ?
C11 C12 C13 C8 -0.9(15) . . . . ?
C11 C12 C13 C14 178.7(10) . . . . ?
C13 C8 C9 C10 0.6(13) . . . . ?
C13 C8 P1 C7 179.6(7) . . . . ?
C13 C8 P1 C15 69.8(8) . . . . ?
C13 C8 P1 Pd1 -66.3(8) . . . . ?
C15 C16 C17 C18 0.6(16) . . . . ?
C16 C15 C20 C19 -2.0(13) . . . . ?
C16 C15 C20 C21 176.9(9) . . . . ?
C16 C15 P1 C7 -103.7(7) . . . . ?
C16 C15 P1 C8 7.6(8) . . . . ?
C16 C15 P1 Pd1 137.6(6) . . . . ?
C16 C17 C18 C19 -1.9(17) . . . . ?
C17 C18 C19 C20 1.1(17) . . . . ?
C18 C19 C20 C15 0.8(15) . . . . ?
C18 C19 C20 C21 -178.1(10) . . . . ?
C20 C15 C16 C17 1.3(14) . . . . ?
C20 C15 P1 C7 70.9(8) . . . . ?
C20 C15 P1 C8 -177.9(7) . . . . ?
C20 C15 P1 Pd1 -47.9(8) . . . . ?
C24 C25 C26 C27 -177.2(10) . . . . ?
C24 C25 C30 C29 177.5(9) . . . . ?
C24 C25 C30 P3 -5.0(11) . . . . ?
C25 C26 C27 C28 -2.2(18) . . . . ?
C25 C30 P3 C31 128.8(7) . . . . ?
C25 C30 P3 Pd2 3.2(7) . . . . ?
C25 C30 P3 Pd4 -111.6(6) . . . . ?
C26 C25 C30 C29 -2.2(14) . . . . ?
C26 C25 C30 P3 175.3(8) . . . . ?
C26 C27 C28 C29 1.5(18) . . . . ?
C27 C28 C29 C30 -1.1(16) . . . . ?
C28 C29 C30 C25 1.5(14) . . . . ?
C28 C29 C30 P3 -175.7(8) . . . . ?
C29 C30 P3 C31 -53.8(9) . . . . ?
C29 C30 P3 Pd2 -179.4(8) . . . . ?
C29 C30 P3 Pd4 65.8(9) . . . . ?
C30 C25 C26 C27 2.5(16) . . . . ?
C31 C32 C33 C34 1.6(18) . . . . ?
C32 C31 C36 C35 -0.4(15) . . . . ?
C32 C31 C36 C37 178.8(11) . . . . ?
C32 C31 P3 C30 117.3(7) . . . . ?
C32 C31 P3 Pd2 -127.9(7) . . . . ?
C32 C31 P3 Pd4 -10.6(8) . . . . ?
C32 C33 C34 C35 -2(2) . . . . ?
C33 C34 C35 C36 1(2) . . . . ?
C34 C35 C36 C31 0.4(19) . . . . ?
C34 C35 C36 C37 -178.8(13) . . . . ?
C36 C31 C32 C33 -0.6(15) . . . . ?
C36 C31 P3 C30 -63.5(8) . . . . ?
C36 C31 P3 Pd2 51.4(9) . . . . ?
C36 C31 P3 Pd4 168.7(7) . . . . ?
C38 C39 C40 C41 -0.9(15) . . . . ?
C39 C38 C43 C42 -1.2(13) . . . . ?
C39 C38 C43 C44 178.9(8) . . . . ?
C39 C40 C41 C42 0.6(16) . . . . ?
C40 C41 C42 C43 -0.7(15) . . . . ?
C41 C42 C43 C38 1.0(14) . . . . ?
C41 C42 C43 C44 -179.1(9) . . . . ?
C43 C38 C39 C40 1.2(13) . . . . ?
C45 C46 C47 C48 -178.0(8) . . . . ?
C45 C46 C51 C50 179.4(7) . . . . ?
C45 C46 C51 P4 2.7(9) . . . . ?
C46 C47 C48 C49 -2.7(13) . . . . ?
C46 C51 P4 C52 119.8(6) . . . . ?
C46 C51 P4 Pd3 -118.2(5) . . . . ?
C46 C51 P4 Pd5 -1.9(6) . . . . ?
C47 C46 C51 C50 0.1(12) . . . . ?
C47 C46 C51 P4 -176.5(6) . . . . ?
C47 C48 C49 C50 2.9(13) . . . . ?
C48 C49 C50 C51 -1.5(12) . . . . ?
C49 C50 C51 C46 0.1(12) . . . . ?
C49 C50 C51 P4 176.2(6) . . . . ?
C50 C51 P4 C52 -56.6(7) . . . . ?
C50 C51 P4 Pd3 65.4(8) . . . . ?
C50 C51 P4 Pd5 -178.3(6) . . . . ?
C51 C46 C47 C48 1.2(12) . . . . ?
C52 C53 C54 C55 -1.7(15) . . . . ?
C53 C52 C57 C56 0.0(11) . . . . ?
C53 C52 C57 C58 177.5(8) . . . . ?
C53 C52 P4 C51 108.5(7) . . . . ?
C53 C52 P4 Pd3 -22.2(7) . . . . ?
C53 C52 P4 Pd5 -140.0(6) . . . . ?
C53 C54 C55 C56 0.7(15) . . . . ?
C54 C55 C56 C57 0.8(15) . . . . ?
C55 C56 C57 C52 -1.1(13) . . . . ?
C55 C56 C57 C58 -178.6(9) . . . . ?
C57 C52 C53 C54 1.4(13) . . . . ?
C57 C52 P4 C51 -72.6(7) . . . . ?
C57 C52 P4 Pd3 156.8(6) . . . . ?
C57 C52 P4 Pd5 39.0(7) . . . . ?
C59 C60 C61 C62 0.1(14) . . . . ?
C60 C59 C64 C63 -0.7(13) . . . . ?
C60 C59 C64 C65 -179.2(8) . . . . ?
C60 C61 C62 C63 0.2(14) . . . . ?
C61 C62 C63 C64 -0.8(15) . . . . ?
C62 C63 C64 C59 1.1(14) . . . . ?
C62 C63 C64 C65 179.6(9) . . . . ?
C64 C59 C60 C61 0.1(13) . . . . ?
C66 C67 C68 C69 -177.5(9) . . . . ?
C66 C67 C72 C71 -178.9(8) . . . . ?
C66 C67 C72 P5 2.0(10) . . . . ?
C67 C68 C69 C70 -3.0(15) . . . . ?
C67 C72 P5 C73 154.0(6) . . . . ?
C67 C72 P5 C80 -93.0(7) . . . . ?
C67 C72 P5 Pd6 20.7(7) . . . . ?
C68 C67 C72 C71 2.3(13) . . . . ?
C68 C67 C72 P5 -176.8(7) . . . . ?
C68 C69 C70 C71 1.4(14) . . . . ?
C69 C70 C71 C72 1.9(13) . . . . ?
C70 C71 C72 C67 -3.9(12) . . . . ?
C70 C71 C72 P5 175.1(6) . . . . ?
C71 C72 P5 C73 -25.0(8) . . . . ?
C71 C72 P5 C80 87.9(8) . . . . ?
C71 C72 P5 Pd6 -158.4(7) . . . . ?
C72 C67 C68 C69 1.2(14) . . . . ?
C73 C74 C75 C76 -0.5(17) . . . . ?
C74 C73 C78 C77 1.0(13) . . . . ?
C74 C73 C78 C79 -176.6(8) . . . . ?
C74 C73 P5 C72 91.5(8) . . . . ?
C74 C73 P5 C80 -22.1(8) . . . . ?
C74 C73 P5 Pd6 -150.2(6) . . . . ?
C74 C75 C76 C77 0.0(17) . . . . ?
C75 C76 C77 C78 1.0(16) . . . . ?
C76 C77 C78 C73 -1.5(14) . . . . ?
C76 C77 C78 C79 176.2(9) . . . . ?
C78 C73 C74 C75 0.0(15) . . . . ?
C78 C73 P5 C72 -84.5(8) . . . . ?
C78 C73 P5 C80 161.9(7) . . . . ?
C78 C73 P5 Pd6 33.8(9) . . . . ?
C80 C81 C82 C83 0.6(14) . . . . ?
C81 C80 C85 C84 -1.5(12) . . . . ?
C81 C80 C85 C86 176.4(8) . . . . ?
C81 C80 P5 C72 16.5(8) . . . . ?
C81 C80 P5 C73 127.4(7) . . . . ?
C81 C80 P5 Pd6 -94.2(7) . . . . ?
C81 C82 C83 C84 -0.4(16) . . . . ?
C82 C83 C84 C85 -0.8(16) . . . . ?
C83 C84 C85 C80 1.8(14) . . . . ?
C83 C84 C85 C86 -176.2(9) . . . . ?
C85 C80 C81 C82 0.4(13) . . . . ?
C85 C80 P5 C72 -172.5(7) . . . . ?
C85 C80 P5 C73 -61.6(7) . . . . ?
C85 C80 P5 Pd6 76.7(7) . . . . ?
P1 C8 C9 C10 -172.6(7) . . . . ?
P1 C8 C13 C12 173.5(7) . . . . ?
P1 C8 C13 C14 -6.0(12) . . . . ?
P1 C15 C16 C17 175.9(8) . . . . ?
P1 C15 C20 C19 -176.6(7) . . . . ?
P1 C15 C20 C21 2.3(12) . . . . ?
P3 C31 C32 C33 178.7(8) . . . . ?
P3 C31 C36 C35 -179.6(8) . . . . ?
P3 C31 C36 C37 -0.4(15) . . . . ?
P4 C52 C53 C54 -179.6(7) . . . . ?
P4 C52 C57 C56 -178.9(6) . . . . ?
P4 C52 C57 C58 -1.4(11) . . . . ?
P5 C73 C74 C75 -176.1(8) . . . . ?
P5 C73 C78 C77 176.9(7) . . . . ?
P5 C73 C78 C79 -0.7(12) . . . . ?
P5 C80 C81 C82 171.4(7) . . . . ?
P5 C80 C85 C84 -172.3(7) . . . . ?
P5 C80 C85 C86 5.6(12) . . . . ?
Pd1 C1 C2 C3 -163.4(8) . . . . ?
Pd1 C1 C2 C7 18.9(12) . . . . ?
Pd1 O2 P2 C22 53.0(5) . . . . ?
Pd1 O2 P2 C23 -67.9(5) . . . . ?
Pd1 O2 P2 O3 172.6(3) . . . . ?
Pd2 C24 C25 C26 -175.7(8) . . . . ?
Pd2 C24 C25 C30 4.6(12) . . . . ?
Pd2 O2 P2 C22 -67.0(4) . . . . ?
Pd2 O2 P2 C23 172.1(4) . . . . ?
Pd2 O2 P2 O3 52.6(4) . . . . ?
Pd3 C38 C39 C40 -174.1(7) . . . . ?
Pd3 C38 C43 C42 174.1(7) . . . . ?
Pd3 C38 C43 C44 -5.8(11) . . . . ?
Pd3 O2 P2 C22 -176.9(4) . . . . ?
Pd3 O2 P2 C23 62.1(5) . . . . ?
Pd3 O2 P2 O3 -57.3(4) . . . . ?
Pd4 C59 C60 C61 -174.9(7) . . . . ?
Pd4 C59 C64 C63 174.2(7) . . . . ?
Pd4 C59 C64 C65 -4.3(11) . . . . ?
Pd4 O3 P2 C22 67.5(5) . . . . ?
Pd4 O3 P2 C23 -171.9(4) . . . . ?
Pd4 O3 P2 O2 -52.3(4) . . . . ?
Pd5 C45 C46 C47 176.9(6) . . . . ?
Pd5 C45 C46 C51 -2.4(10) . . . . ?
Pd5 O3 P2 C22 175.7(3) . . . . ?
Pd5 O3 P2 C23 -63.7(4) . . . . ?
Pd5 O3 P2 O2 55.9(4) . . . . ?
Pd6 C66 C67 C68 150.7(8) . . . . ?
Pd6 C66 C67 C72 -28.0(11) . . . . ?
Pd6 O3 P2 C22 -63.7(5) . . . . ?
Pd6 O3 P2 C23 56.9(5) . . . . ?
Pd6 O3 P2 O2 176.5(3) . . . . ?
C87 C88 C89 C90 -179.1(9) . . . . ?
C87 C88 C93 C92 178.2(8) . . . . ?
C87 C88 C93 P6 -2.7(10) . . . . ?
C88 C89 C90 C91 -0.3(14) . . . . ?
C88 C93 P6 C94 97.4(6) . . . . ?
C88 C93 P6 C101 -149.5(6) . . . . ?
C88 C93 P6 Pd7 -19.3(6) . . . . ?
C89 C88 C93 C92 -1.1(12) . . . . ?
C89 C88 C93 P6 178.1(7) . . . . ?
C89 C90 C91 C92 1.4(14) . . . . ?
C90 C91 C92 C93 -2.3(13) . . . . ?
C91 C92 C93 C88 2.2(12) . . . . ?
C91 C92 C93 P6 -176.8(6) . . . . ?
C92 C93 P6 C94 -83.5(8) . . . . ?
C92 C93 P6 C101 29.6(8) . . . . ?
C92 C93 P6 Pd7 159.8(7) . . . . ?
C93 C88 C89 C90 0.2(13) . . . . ?
C94 C95 C96 C97 0.2(14) . . . . ?
C95 C94 C99 C98 2.1(13) . . . . ?
C95 C94 C99 C100 -179.8(8) . . . . ?
C95 C94 P6 C93 -10.8(8) . . . . ?
C95 C94 P6 C101 -121.5(7) . . . . ?
C95 C94 P6 Pd7 101.5(7) . . . . ?
C95 C96 C97 C98 0.8(15) . . . . ?
C96 C97 C98 C99 -0.3(16) . . . . ?
C97 C98 C99 C94 -1.1(15) . . . . ?
C97 C98 C99 C100 -179.2(10) . . . . ?
C99 C94 C95 C96 -1.6(13) . . . . ?
C99 C94 P6 C93 178.0(7) . . . . ?
C99 C94 P6 C101 67.3(8) . . . . ?
C99 C94 P6 Pd7 -69.7(7) . . . . ?
C101 C102 C103 C104 2.4(19) . . . . ?
C102 C101 C106 C105 0.7(14) . . . . ?
C102 C101 C106 C107 178.8(9) . . . . ?
C102 C101 P6 C93 -97.2(8) . . . . ?
C102 C101 P6 C94 14.7(9) . . . . ?
C102 C101 P6 Pd7 145.0(7) . . . . ?
C102 C103 C104 C105 -2(2) . . . . ?
C103 C104 C105 C106 0.2(18) . . . . ?
C104 C105 C106 C101 0.2(15) . . . . ?
C104 C105 C106 C107 -178.0(10) . . . . ?
C106 C101 C102 C103 -2.0(16) . . . . ?
C106 C101 P6 C93 80.6(8) . . . . ?
C106 C101 P6 C94 -167.5(7) . . . . ?
C106 C101 P6 Pd7 -37.2(9) . . . . ?
C110 C111 C112 C113 1.0(15) . . . . ?
C111 C110 C115 C114 -0.5(13) . . . . ?
C111 C110 C115 C116 -179.9(8) . . . . ?
C111 C112 C113 C114 -1.4(15) . . . . ?
C112 C113 C114 C115 0.8(15) . . . . ?
C113 C114 C115 C110 0.1(13) . . . . ?
C113 C114 C115 C116 179.5(8) . . . . ?
C115 C110 C111 C112 -0.1(13) . . . . ?
C117 C118 C119 C120 179.2(8) . . . . ?
C117 C118 C123 C122 -180.0(8) . . . . ?
C117 C118 C123 P9 -3.0(10) . . . . ?
C118 C119 C120 C121 1.0(13) . . . . ?
C118 C123 P9 C124 -121.0(6) . . . . ?
C118 C123 P9 Pd9 2.4(6) . . . . ?
C118 C123 P9 Pd11 118.9(6) . . . . ?
C119 C118 C123 C122 0.5(12) . . . . ?
C119 C118 C123 P9 177.5(6) . . . . ?
C119 C120 C121 C122 0.2(13) . . . . ?
C120 C121 C122 C123 -1.0(13) . . . . ?
C121 C122 C123 C118 0.6(13) . . . . ?
C121 C122 C123 P9 -175.9(7) . . . . ?
C122 C123 P9 C124 55.8(8) . . . . ?
C122 C123 P9 Pd9 179.1(7) . . . . ?
C122 C123 P9 Pd11 -64.3(8) . . . . ?
C123 C118 C119 C120 -1.3(12) . . . . ?
C124 C125 C126 C127 -0.5(15) . . . . ?
C125 C124 C129 C128 -1.5(13) . . . . ?
C125 C124 C129 C130 179.4(8) . . . . ?
C125 C124 P9 C123 -104.7(7) . . . . ?
C125 C124 P9 Pd9 142.4(6) . . . . ?
C125 C124 P9 Pd11 25.1(7) . . . . ?
C125 C126 C127 C128 -1.4(16) . . . . ?
C126 C127 C128 C129 1.8(16) . . . . ?
C127 C128 C129 C124 -0.3(14) . . . . ?
C127 C128 C129 C130 178.8(9) . . . . ?
C129 C124 C125 C126 1.9(13) . . . . ?
C129 C124 P9 C123 75.3(8) . . . . ?
C129 C124 P9 Pd9 -37.6(8) . . . . ?
C129 C124 P9 Pd11 -154.8(7) . . . . ?
C131 C132 C133 C134 176.6(9) . . . . ?
C131 C132 C137 C136 -176.2(8) . . . . ?
C131 C132 C137 P8 7.6(10) . . . . ?
C132 C133 C134 C135 1.1(15) . . . . ?
C132 C137 P8 C138 -128.3(7) . . . . ?
C132 C137 P8 Pd8 110.9(6) . . . . ?
C132 C137 P8 Pd10 -3.6(7) . . . . ?
C133 C132 C137 C136 2.8(13) . . . . ?
C133 C132 C137 P8 -173.5(7) . . . . ?
C133 C134 C135 C136 -0.5(15) . . . . ?
C134 C135 C136 C137 0.9(13) . . . . ?
C135 C136 C137 C132 -2.1(13) . . . . ?
C135 C136 C137 P8 173.7(7) . . . . ?
C136 C137 P8 C138 55.7(8) . . . . ?
C136 C137 P8 Pd8 -65.2(8) . . . . ?
C136 C137 P8 Pd10 -179.7(7) . . . . ?
C137 C132 C133 C134 -2.3(14) . . . . ?
C138 C139 C140 C141 1.5(16) . . . . ?
C139 C138 C143 C142 -0.2(13) . . . . ?
C139 C138 C143 C144 -179.7(10) . . . . ?
C139 C138 P8 C137 -114.3(7) . . . . ?
C139 C138 P8 Pd8 14.1(8) . . . . ?
C139 C138 P8 Pd10 131.2(6) . . . . ?
C139 C140 C141 C142 -1.6(18) . . . . ?
C140 C141 C142 C143 1(2) . . . . ?
C141 C142 C143 C138 0.1(17) . . . . ?
C141 C142 C143 C144 179.6(12) . . . . ?
C143 C138 C139 C140 -0.6(14) . . . . ?
C143 C138 P8 C137 67.6(8) . . . . ?
C143 C138 P8 Pd8 -164.0(7) . . . . ?
C143 C138 P8 Pd10 -46.9(8) . . . . ?
C145 C146 C147 C148 2.8(15) . . . . ?
C146 C145 C150 C149 1.2(12) . . . . ?
C146 C145 C150 C151 179.6(8) . . . . ?
C146 C147 C148 C149 -2.6(15) . . . . ?
C147 C148 C149 C150 1.7(15) . . . . ?
C148 C149 C150 C145 -1.0(14) . . . . ?
C148 C149 C150 C151 -179.5(9) . . . . ?
C150 C145 C146 C147 -2.0(13) . . . . ?
C152 C153 C154 C155 -175.9(15) . . . . ?
C152 C153 C158 C157 174.0(12) . . . . ?
C152 C153 C158 P10 -7.9(15) . . . . ?
C153 C154 C155 C156 1(3) . . . . ?
C153 C158 P10 C159 147.7(10) . . . . ?
C153 C158 P10 C166 -99.1(10) . . . . ?
C153 C158 P10 Pd12 18.4(10) . . . . ?
C154 C153 C158 C157 -2(2) . . . . ?
C154 C153 C158 P10 176.5(11) . . . . ?
C154 C155 C156 C157 1(3) . . . . ?
C155 C156 C157 C158 -3(3) . . . . ?
C156 C157 C158 C153 4(2) . . . . ?
C156 C157 C158 P10 -174.1(12) . . . . ?
C157 C158 P10 C159 -34.4(14) . . . . ?
C157 C158 P10 C166 78.8(14) . . . . ?
C157 C158 P10 Pd12 -163.6(12) . . . . ?
C158 C153 C154 C155 -1(2) . . . . ?
C159 C160 C161 C162 -5(2) . . . . ?
C160 C159 C164 C163 0.1(18) . . . . ?
C160 C159 C164 C165 -176.6(12) . . . . ?
C160 C159 P10 C158 107.3(11) . . . . ?
C160 C159 P10 C166 -2.0(13) . . . . ?
C160 C159 P10 Pd12 -133.6(10) . . . . ?
C160 C161 C162 C163 9(3) . . . . ?
C161 C162 C163 C164 -8(3) . . . . ?
C162 C163 C164 C159 3.0(19) . . . . ?
C162 C163 C164 C165 179.7(13) . . . . ?
C164 C159 C160 C161 1(2) . . . . ?
C164 C159 P10 C158 -74.2(11) . . . . ?
C164 C159 P10 C166 176.6(10) . . . . ?
C164 C159 P10 Pd12 45.0(12) . . . . ?
C166 C167 C168 C169 4(3) . . . . ?
C167 C166 C171 C170 -1(3) . . . . ?
C167 C166 C171 C172 175.9(15) . . . . ?
C167 C166 P10 C158 0.5(16) . . . . ?
C167 C166 P10 C159 110.7(15) . . . . ?
C167 C166 P10 Pd12 -112.7(14) . . . . ?
C167 C168 C169 C170 -5(3) . . . . ?
C168 C169 C170 C171 2(3) . . . . ?
C169 C170 C171 C166 1(3) . . . . ?
C169 C170 C171 C172 -176.5(17) . . . . ?
C171 C166 C167 C168 -1(3) . . . . ?
C171 C166 P10 C158 172.5(14) . . . . ?
C171 C166 P10 C159 -77.3(15) . . . . ?
C171 C166 P10 Pd12 59.3(16) . . . . ?
P6 C94 C95 C96 -172.9(7) . . . . ?
P6 C94 C99 C98 173.2(7) . . . . ?
P6 C94 C99 C100 -8.7(12) . . . . ?
P6 C101 C102 C103 175.8(9) . . . . ?
P6 C101 C106 C105 -177.0(7) . . . . ?
P6 C101 C106 C107 1.1(12) . . . . ?
P8 C138 C139 C140 -178.7(8) . . . . ?
P8 C138 C143 C142 177.9(7) . . . . ?
P8 C138 C143 C144 -1.6(14) . . . . ?
P9 C124 C125 C126 -178.1(7) . . . . ?
P9 C124 C129 C128 178.5(7) . . . . ?
P9 C124 C129 C130 -0.6(12) . . . . ?
P10 C159 C160 C161 179.6(12) . . . . ?
P10 C159 C164 C163 -178.5(9) . . . . ?
P10 C159 C164 C165 4.8(17) . . . . ?
P10 C166 C167 C168 170.8(17) . . . . ?
P10 C166 C171 C170 -173.4(13) . . . . ?
P10 C166 C171 C172 4(2) . . . . ?
Pd7 C87 C88 C89 -153.9(7) . . . . ?
Pd7 C87 C88 C93 26.9(11) . . . . ?
Pd7 O6 P7 C108 63.6(5) . . . . ?
Pd7 O6 P7 C109 -57.2(5) . . . . ?
Pd7 O6 P7 O7 -176.1(3) . . . . ?
Pd8 C110 C111 C112 176.3(7) . . . . ?
Pd8 C110 C115 C114 -176.7(6) . . . . ?
Pd8 C110 C115 C116 3.9(11) . . . . ?
Pd8 O6 P7 C108 -66.6(5) . . . . ?
Pd8 O6 P7 C109 172.7(4) . . . . ?
Pd8 O6 P7 O7 53.7(4) . . . . ?
Pd9 C117 C118 C119 -178.2(6) . . . . ?
Pd9 C117 C118 C123 2.3(10) . . . . ?
Pd9 O6 P7 C108 -176.0(4) . . . . ?
Pd9 O6 P7 C109 63.2(5) . . . . ?
Pd9 O6 P7 O7 -55.7(4) . . . . ?
Pd10 C131 C132 C133 172.6(7) . . . . ?
Pd10 C131 C132 C137 -8.5(11) . . . . ?
Pd10 O7 P7 C108 67.0(4) . . . . ?
Pd10 O7 P7 C109 -172.6(4) . . . . ?
Pd10 O7 P7 O6 -53.9(4) . . . . ?
Pd11 C145 C146 C147 171.2(7) . . . . ?
Pd11 C145 C150 C149 -172.1(7) . . . . ?
Pd11 C145 C150 C151 6.4(11) . . . . ?
Pd11 O7 P7 C108 174.8(4) . . . . ?
Pd11 O7 P7 C109 -64.9(5) . . . . ?
Pd11 O7 P7 O6 53.9(4) . . . . ?
Pd12 C152 C153 C154 166.9(12) . . . . ?
Pd12 C152 C153 C158 -8.4(16) . . . . ?
Pd12 O7 P7 C108 -53.2(5) . . . . ?
Pd12 O7 P7 C109 67.2(5) . . . . ?
Pd12 O7 P7 O6 -174.1(3) . . . . ?
C197 C198 C199 C200 3(2) . . . . ?
C198 C197 O15 C200 -30.3(19) . . . . ?
C198 C199 C200 O15 -22(2) . . . . ?
C199 C200 O15 C197 34.2(19) . . . . ?
O15 C197 C198 C199 18(2) . . . . ?
C173 C174 C175 C176 17.0(14) . . . . ?
C174 C173 O9 C176 -30.3(12) . . . . ?
C174 C175 C176 O9 -35.4(12) . . . . ?
C175 C176 O9 C173 41.6(11) . . . . ?
O9 C173 C174 C175 6.6(14) . . . . ?
C177 C178 C179 C180 11.9(18) . . . . ?
C178 C177 O10 C180 22.1(15) . . . . ?
C178 C179 C180 O10 1.2(16) . . . . ?
C179 C180 O10 C177 -14.6(13) . . . . ?
O10 C177 C178 C179 -21.3(18) . . . . ?
C201 C202 C203 C204 27(2) . . . . ?
C202 C201 O16 C204 18(2) . . . . ?
C202 C203 C204 O16 -17(3) . . . . ?
C203 C204 O16 C201 0(3) . . . . ?
O16 C201 C202 C203 -30(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.309 -0.580 0.231 947.2 194.1 ?
2 -0.309 0.580 0.769 947.2 193.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_date_sample_data_collection 2021-01-19
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.751
_oxdiff_exptl_absorpt_empirical_full_min 0.705
_vrf_PLAT971_ijsf21006a          
;
PROBLEM: Check Calcd Resid. Dens. 1.02A From Pd12 4.57 eA-3
RESPONSE: The presence of a a large number of relatively high
residual density peaks close to the palladium atoms is believed 
to be due to twinning.  Unfortunately this could not be resolved
with neither a non-merohedral nor a pseudo-merohedral approach.
;
