# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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data_10
_database_code_depnum_ccdc_archive 'CCDC 2082583'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-05-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii) iodopentafluorobenzene"
_chemical_formula_moiety         'C12 H18 O12 Pd3, C6 F5 I0.95, 0.05(I)'
_chemical_formula_sum            'C18 H18 F5 I O12 Pd3'
_chemical_formula_weight         967.42
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.4389(5)
_cell_length_b                   19.8050(11)
_cell_length_c                   16.1256(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.095(2)
_cell_angle_gamma                90
_cell_volume                     2679.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9434
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.523
_exptl_absorpt_coefficient_mu    3.235
_exptl_absorpt_correction_T_max  0.745618
_exptl_absorpt_correction_T_min  0.618618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 261022 reflections, Rint = 0.0692
 (152933 with I > 3sig(I), Rint = 0.0520)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.002
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11763
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.903
_diffrn_reflns_theta_min         2.057
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10195
_reflns_number_total             11763
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.366
_refine_diff_density_min         -1.885
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         11763
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0624
_refine_ls_restrained_S_all      1.160
_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)+(0.0394P)²+30.7606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1492
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.5190(11)
 0.4810(11)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(F1) = Uanis(C13)
Uanis(I1A) = Uanis(I1)
4. Others
 Sof(I1A)=1-FVAR(1)
 Sof(I1)=FVAR(1)
5.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C10(H10A,
 H10B,H10C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Pd1 Pd 0.81146(8) 0.67694(3) 0.30017(5) 0.02392(17) Uani 1 1 d . . . . .
Pd2 Pd 0.96709(8) 0.76048(3) 0.44989(4) 0.02250(16) Uani 1 1 d . . . . .
Pd3 Pd 0.79033(9) 0.83382(3) 0.29189(5) 0.02610(17) Uani 1 1 d . . . . .
O1 O 0.7089(9) 0.6377(3) 0.3957(5) 0.0330(16) Uani 1 1 d . . . . .
O2 O 0.8679(9) 0.6818(4) 0.5020(5) 0.0333(16) Uani 1 1 d . . . . .
O3 O 1.0159(8) 0.6288(3) 0.3369(5) 0.0307(15) Uani 1 1 d . . . . .
O4 O 1.1498(8) 0.7051(4) 0.4192(5) 0.0356(17) Uani 1 1 d . . . . .
O5 O 0.8052(9) 0.8165(3) 0.5008(5) 0.0321(16) Uani 1 1 d . . . . .
O6 O 0.7344(9) 0.8854(3) 0.3921(5) 0.0329(16) Uani 1 1 d . . . . .
O7 O 1.1017(8) 0.8404(3) 0.4275(5) 0.0315(16) Uani 1 1 d . . . . .
O8 O 1.0119(9) 0.8708(4) 0.2961(5) 0.0352(17) Uani 1 1 d . . . . .
O9 O 0.8239(9) 0.8060(4) 0.1760(5) 0.0365(17) Uani 1 1 d . . . . .
O10 O 0.9107(9) 0.6998(4) 0.1966(5) 0.0327(16) Uani 1 1 d . . . . .
O11 O 0.5596(8) 0.8093(4) 0.2718(5) 0.0352(17) Uani 1 1 d . . . . .
O12 O 0.5909(8) 0.6985(4) 0.2488(5) 0.0327(16) Uani 1 1 d . . . . .
C1 C 0.7618(11) 0.6418(5) 0.4710(7) 0.027(2) Uani 1 1 d . . . . .
C2 C 0.6958(14) 0.5941(6) 0.5305(7) 0.039(3) Uani 1 1 d . . . . .
H2A H 0.586948 0.581433 0.508909 0.059 Uiso 1 1 calc GR . . . .
H2B H 0.694555 0.616156 0.584851 0.059 Uiso 1 1 calc GR . . . .
H2C H 0.762616 0.553617 0.536719 0.059 Uiso 1 1 calc GR . . . .
C3 C 1.1386(11) 0.6509(5) 0.3802(6) 0.027(2) Uani 1 1 d . . . . .
C4 C 1.2842(12) 0.6071(6) 0.3844(8) 0.038(2) Uani 1 1 d . . . . .
H4A H 1.297934 0.583697 0.438194 0.056 Uiso 1 1 calc GR . . . .
H4B H 1.377940 0.635252 0.378558 0.056 Uiso 1 1 calc GR . . . .
H4C H 1.271904 0.573872 0.339178 0.056 Uiso 1 1 calc GR . . . .
C5 C 1.1132(12) 0.8709(5) 0.3594(7) 0.030(2) Uani 1 1 d . . . . .
C6 C 1.2624(13) 0.9110(5) 0.3528(8) 0.039(3) Uani 1 1 d . . . . .
H6A H 1.287957 0.937430 0.403859 0.059 Uiso 1 1 calc GR . . . .
H6B H 1.246050 0.941567 0.304848 0.059 Uiso 1 1 calc GR . . . .
H6C H 1.350694 0.880201 0.345354 0.059 Uiso 1 1 calc GR . . . .
C7 C 0.7379(12) 0.8681(5) 0.4671(7) 0.030(2) Uani 1 1 d . . . . .
C8 C 0.6547(14) 0.9135(5) 0.5240(7) 0.037(2) Uani 1 1 d . . . . .
H8A H 0.592514 0.947580 0.490670 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.734165 0.935890 0.563422 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.583331 0.886440 0.554871 0.056 Uiso 1 1 calc GR . . . .
C9 C 0.8853(11) 0.7528(6) 0.1539(7) 0.032(2) Uani 1 1 d . . . . .
C10 C 0.9348(13) 0.7501(7) 0.0657(7) 0.039(2) Uani 1 1 d . . . . .
H10A H 1.049254 0.740719 0.068318 0.059 Uiso 1 1 calc GR . . . .
H10B H 0.911732 0.793566 0.037979 0.059 Uiso 1 1 calc GR . . . .
H10C H 0.875301 0.714263 0.034170 0.059 Uiso 1 1 calc GR . . . .
C11 C 0.5098(11) 0.7524(6) 0.2480(6) 0.0292(19) Uani 1 1 d . . . . .
C12 C 0.3384(12) 0.7470(6) 0.2123(7) 0.039(2) Uani 1 1 d . . . . .
H12A H 0.327736 0.761821 0.153965 0.059 Uiso 1 1 calc GR . . . .
H12B H 0.272551 0.775649 0.244365 0.059 Uiso 1 1 calc GR . . . .
H12C H 0.303216 0.699967 0.215174 0.059 Uiso 1 1 calc GR . . . .
I1 I 0.34871(12) 0.42194(4) 0.91885(6) 0.0335(3) Uani 0.946(3) 1 d . . P A 1
F1 F 0.5478(8) 0.4638(3) 0.7692(5) 0.0450(14) Uani 1 1 d . . . A 1
F2 F 0.4593(10) 0.5220(4) 0.6218(5) 0.064(2) Uani 1 1 d . . . A 1
F3 F 0.1458(10) 0.5607(3) 0.5787(4) 0.0507(18) Uani 1 1 d . . . A 1
F4 F -0.0699(9) 0.5350(4) 0.6865(5) 0.0500(18) Uani 1 1 d . . . A 1
F5 F 0.0176(7) 0.4769(3) 0.8338(4) 0.0386(14) Uani 1 1 d . . . A 1
C13 C 0.2833(14) 0.4682(6) 0.8048(8) 0.0450(14) Uani 1 1 d . . . A 1
C14 C 0.3944(12) 0.4809(5) 0.7490(8) 0.036(2) Uani 1 1 d . . . A 1
C15 C 0.3516(17) 0.5107(6) 0.6753(9) 0.048(3) Uani 1 1 d . . . A 1
C16 C 0.1931(17) 0.5303(5) 0.6511(7) 0.043(3) Uani 1 1 d . . . A 1
C17 C 0.0832(13) 0.5178(5) 0.7074(7) 0.033(2) Uani 1 1 d . . . A 1
C18 C 0.1295(12) 0.4879(5) 0.7825(7) 0.029(2) Uani 1 1 d . . . A 1
I1A I 0.409(2) 0.4347(8) 0.8944(11) 0.0335(3) Uani 0.054(3) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Pd2 3.1013(9) . ?
Pd1 Pd3 3.1143(9) . ?
Pd1 O1 2.003(8) . ?
Pd1 O3 2.005(7) . ?
Pd1 O10 1.998(7) . ?
Pd1 O12 2.001(7) . ?
Pd2 Pd3 3.1654(10) . ?
Pd2 O2 1.996(7) . ?
Pd2 O4 1.997(7) . ?
Pd2 O5 2.002(7) . ?
Pd2 O7 2.003(7) . ?
Pd3 O6 2.010(7) . ?
Pd3 O8 2.002(7) . ?
Pd3 O9 1.997(8) . ?
Pd3 O11 1.999(7) . ?
O1 C1 1.250(12) . ?
O2 C1 1.258(12) . ?
O3 C3 1.265(11) . ?
O4 C3 1.242(12) . ?
O5 C7 1.263(12) . ?
O6 C7 1.255(13) . ?
O7 C5 1.265(13) . ?
O8 C5 1.260(13) . ?
O9 C9 1.242(13) . ?
O10 C9 1.263(13) . ?
O11 C11 1.251(12) . ?
O12 C11 1.267(12) . ?
C1 C2 1.496(14) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.499(13) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.502(13) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.510(14) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.525(15) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.502(13) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
I1 C13 2.076(14) . ?
F1 C14 1.344(12) . ?
F2 C15 1.336(13) . ?
F3 C16 1.336(13) . ?
F4 C17 1.344(13) . ?
F5 C18 1.337(12) . ?
C13 C14 1.389(16) . ?
C13 C18 1.366(15) . ?
C14 C15 1.343(18) . ?
C15 C16 1.408(19) . ?
C16 C17 1.387(16) . ?
C17 C18 1.368(15) . ?

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
Pd2 Pd1 Pd3 61.23(2) . . ?
O1 Pd1 Pd2 77.9(2) . . ?
O1 Pd1 Pd3 113.1(2) . . ?
O1 Pd1 O3 90.9(3) . . ?
O3 Pd1 Pd2 75.2(2) . . ?
O3 Pd1 Pd3 122.1(2) . . ?
O10 Pd1 Pd2 110.5(2) . . ?
O10 Pd1 Pd3 76.4(2) . . ?
O10 Pd1 O1 169.9(3) . . ?
O10 Pd1 O3 86.0(3) . . ?
O10 Pd1 O12 93.4(3) . . ?
O12 Pd1 Pd2 120.4(2) . . ?
O12 Pd1 Pd3 73.9(2) . . ?
O12 Pd1 O1 86.7(3) . . ?
O12 Pd1 O3 163.1(3) . . ?
Pd1 Pd2 Pd3 59.59(2) . . ?
O2 Pd2 Pd1 75.5(2) . . ?
O2 Pd2 Pd3 121.0(2) . . ?
O2 Pd2 O4 92.6(3) . . ?
O2 Pd2 O5 85.7(3) . . ?
O2 Pd2 O7 164.5(3) . . ?
O4 Pd2 Pd1 77.8(2) . . ?
O4 Pd2 Pd3 111.3(2) . . ?
O4 Pd2 O5 169.9(3) . . ?
O4 Pd2 O7 85.5(3) . . ?
O5 Pd2 Pd1 111.3(2) . . ?
O5 Pd2 Pd3 78.0(2) . . ?
O5 Pd2 O7 93.5(3) . . ?
O7 Pd2 Pd1 118.8(2) . . ?
O7 Pd2 Pd3 73.7(2) . . ?
Pd1 Pd3 Pd2 59.18(2) . . ?
O6 Pd3 Pd1 119.3(2) . . ?
O6 Pd3 Pd2 73.6(2) . . ?
O8 Pd3 Pd1 108.3(2) . . ?
O8 Pd3 Pd2 77.4(2) . . ?
O8 Pd3 O6 94.9(3) . . ?
O9 Pd3 Pd1 75.6(2) . . ?
O9 Pd3 Pd2 121.6(2) . . ?
O9 Pd3 O6 164.0(3) . . ?
O9 Pd3 O8 84.7(3) . . ?
O9 Pd3 O11 90.8(3) . . ?
O11 Pd3 Pd1 79.4(2) . . ?
O11 Pd3 Pd2 112.7(2) . . ?
O11 Pd3 O6 86.9(3) . . ?
O11 Pd3 O8 169.7(3) . . ?
C1 O1 Pd1 125.6(6) . . ?
C1 O2 Pd2 129.5(7) . . ?
C3 O3 Pd1 128.8(6) . . ?
C3 O4 Pd2 125.5(7) . . ?
C7 O5 Pd2 124.6(7) . . ?
C7 O6 Pd3 130.7(6) . . ?
C5 O7 Pd2 129.2(6) . . ?
C5 O8 Pd3 125.4(7) . . ?
C9 O9 Pd3 127.5(7) . . ?
C9 O10 Pd1 125.6(7) . . ?
C11 O11 Pd3 124.0(6) . . ?
C11 O12 Pd1 131.4(6) . . ?
O1 C1 O2 126.4(9) . . ?
O1 C1 C2 117.5(9) . . ?
O2 C1 C2 116.1(9) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 C4 116.4(9) . . ?
O4 C3 O3 126.4(9) . . ?
O4 C3 C4 117.3(9) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O7 C5 C6 117.2(10) . . ?
O8 C5 O7 126.4(9) . . ?
O8 C5 C6 116.5(10) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O5 C7 C8 115.9(10) . . ?
O6 C7 O5 126.8(10) . . ?
O6 C7 C8 117.2(9) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O9 C9 O10 126.9(10) . . ?
O9 C9 C10 117.6(10) . . ?
O10 C9 C10 115.6(10) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O11 C11 O12 126.4(9) . . ?
O11 C11 C12 117.4(9) . . ?
O12 C11 C12 116.2(9) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 I1 121.3(9) . . ?
C18 C13 I1 121.0(9) . . ?
C18 C13 C14 117.7(12) . . ?
F1 C14 C13 119.8(11) . . ?
C15 C14 F1 119.1(11) . . ?
C15 C14 C13 121.1(11) . . ?
F2 C15 C14 120.5(13) . . ?
F2 C15 C16 117.8(13) . . ?
C14 C15 C16 121.7(11) . . ?
F3 C16 C15 123.6(11) . . ?
F3 C16 C17 119.6(12) . . ?
C17 C16 C15 116.8(11) . . ?
F4 C17 C16 118.9(10) . . ?
F4 C17 C18 120.5(10) . . ?
C18 C17 C16 120.6(11) . . ?
F5 C18 C13 120.3(10) . . ?
F5 C18 C17 117.7(9) . . ?
C13 C18 C17 122.0(11) . . ?

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
Pd1 O1 C1 O2 15.5(15) . . . . ?
Pd1 O1 C1 C2 -163.3(7) . . . . ?
Pd1 O3 C3 O4 10.9(16) . . . . ?
Pd1 O3 C3 C4 -169.1(7) . . . . ?
Pd1 O10 C9 O9 16.6(15) . . . . ?
Pd1 O10 C9 C10 -162.9(7) . . . . ?
Pd1 O12 C11 O11 9.9(17) . . . . ?
Pd1 O12 C11 C12 -172.2(7) . . . . ?
Pd2 O2 C1 O1 10.0(15) . . . . ?
Pd2 O2 C1 C2 -171.2(7) . . . . ?
Pd2 O4 C3 O3 17.4(16) . . . . ?
Pd2 O4 C3 C4 -162.7(7) . . . . ?
Pd2 O5 C7 O6 15.2(15) . . . . ?
Pd2 O5 C7 C8 -164.2(7) . . . . ?
Pd2 O7 C5 O8 21.9(15) . . . . ?
Pd2 O7 C5 C6 -157.6(7) . . . . ?
Pd3 O6 C7 O5 13.6(16) . . . . ?
Pd3 O6 C7 C8 -167.0(7) . . . . ?
Pd3 O8 C5 O7 10.0(15) . . . . ?
Pd3 O8 C5 C6 -170.4(7) . . . . ?
Pd3 O9 C9 O10 15.1(15) . . . . ?
Pd3 O9 C9 C10 -165.4(7) . . . . ?
Pd3 O11 C11 O12 15.2(15) . . . . ?
Pd3 O11 C11 C12 -162.8(7) . . . . ?
I1 C13 C14 F1 -0.8(14) . . . . ?
I1 C13 C14 C15 179.9(8) . . . . ?
I1 C13 C18 F5 -0.7(14) . . . . ?
I1 C13 C18 C17 -179.3(8) . . . . ?
F1 C14 C15 F2 1.3(16) . . . . ?
F1 C14 C15 C16 -179.5(10) . . . . ?
F2 C15 C16 F3 -1.6(16) . . . . ?
F2 C15 C16 C17 179.7(10) . . . . ?
F3 C16 C17 F4 2.0(15) . . . . ?
F3 C16 C17 C18 -178.8(9) . . . . ?
F4 C17 C18 F5 -0.4(14) . . . . ?
F4 C17 C18 C13 178.3(10) . . . . ?
C13 C14 C15 F2 -179.3(10) . . . . ?
C13 C14 C15 C16 -0.2(17) . . . . ?
C14 C13 C18 F5 180.0(9) . . . . ?
C14 C13 C18 C17 1.3(16) . . . . ?
C14 C15 C16 F3 179.3(10) . . . . ?
C14 C15 C16 C17 0.6(16) . . . . ?
C15 C16 C17 F4 -179.3(9) . . . . ?
C15 C16 C17 C18 0.0(16) . . . . ?
C16 C17 C18 F5 -179.6(9) . . . . ?
C16 C17 C18 C13 -1.0(16) . . . . ?
C18 C13 C14 F1 178.5(9) . . . . ?
C18 C13 C14 C15 -0.8(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.5190(11)
2 0.4810(11)

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2082585'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii)  diiodo-octafluoronaphtalene"
_chemical_formula_moiety         'C12 H18 O12 Pd3, 2(C10 F8)'
_chemical_formula_sum            'C32 H18 F16 O12 Pd3'
_chemical_formula_weight         1217.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   8.3099(3)
_cell_length_b                   16.8417(5)
_cell_length_c                   14.1454(4)
_cell_angle_alpha                90
_cell_angle_beta                 105.7220(10)
_cell_angle_gamma                90
_cell_volume                     1905.62(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9080
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      32.59
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   0.861
_shelx_estimated_absorpt_T_min   0.769
_exptl_absorpt_coefficient_mu    1.540
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1029 before and 0.0468 after correction.
The Ratio of minimum to maximum transmission is 0.8423.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0125
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            103202
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.607
_diffrn_reflns_theta_min         1.923
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6633
_reflns_number_total             7171
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.439
_refine_diff_density_min         -1.457
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7171
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0299
_refine_ls_restrained_S_all      1.127
_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)+(0.0263P)²+2.4485P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0726
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C22-C14 \\sim C15-C14
 with sigma of 0.02
 C20-C21 \\sim C16-C17
 with sigma of 0.02
 C19-C20 \\sim C18-C17
 with sigma of 0.02
 C19-C23 \\sim C18-C23
 with sigma of 0.02
 C22-C21 \\sim C15-C16
 with sigma of 0.02
3. Rigid bond restraints
 F5, F6, F7, F8, F9, F10, F11, F12, C14, C15, C16, C17, C18, C19, C20, C21,
 C22, C23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Others
 Fixed Sof: H2A(0.5) H2B(0.5) H2C(0.5) H4A(0.5) H4B(0.5) H4C(0.5) O1(0.5)
 O2(0.5) O3(0.5) O4A(0.5) O5A(0.5) O6(0.5) O1A(0.5) O2A(0.5) O3A(0.5) O4(0.5)
 O5(0.5) O6A(0.5) F5(0.5) F6(0.5) F8(0.5) F9(0.5) F10(0.5) F12(0.5) C15(0.5)
 C16(0.5) C18(0.5) C19(0.5) C23(0.5) C14(0.5) C22(0.5) C20(0.5)
5.a Fitted hexagon refined as free rotating group:
 C19(C23,C14,C22,C21,C20)
5.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C)
;
_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
Pd1 Pd 0.47034(2) 0.34300(2) 0.34769(2) 0.02493(4) Uani 1 1 d . . . . .
Pd2 Pd 0.50610(3) 0.250000 0.16467(2) 0.02610(5) Uani 1 2 d S T P C .
C1 C 0.6749(4) 0.250000 0.5106(2) 0.0389(7) Uani 1 2 d S T P . .
C2 C 0.8008(5) 0.250000 0.6109(3) 0.0560(11) Uani 1 2 d S T P C .
H2A H 0.855704 0.301940 0.623005 0.084 Uiso 0.5 1 calc GR . . A -1
H2B H 0.884831 0.208734 0.613039 0.084 Uiso 0.5 1 calc GR . . A -1
H2C H 0.743098 0.239326 0.661534 0.084 Uiso 0.5 1 calc GR . . A -1
C3 C 0.2114(4) 0.250000 0.4038(2) 0.0326(6) Uani 1 2 d S T P . .
C4 C 0.0532(5) 0.250000 0.4367(4) 0.0552(11) Uani 1 2 d S T P C .
H4A H 0.065080 0.287351 0.491291 0.083 Uiso 0.5 1 calc GR . . B -1
H4B H 0.033052 0.196525 0.458309 0.083 Uiso 0.5 1 calc GR . . B -1
H4C H -0.041144 0.266123 0.381902 0.083 Uiso 0.5 1 calc GR . . B -1
C5 C 0.7317(3) 0.38105(14) 0.25201(19) 0.0362(4) Uani 1 1 d . . . . .
C6 C 0.8791(4) 0.43165(18) 0.2485(3) 0.0535(7) Uani 1 1 d . . . . .
H6A H 0.896171 0.472794 0.299219 0.080 Uiso 1 1 calc GR . . . .
H6B H 0.857944 0.456731 0.183743 0.080 Uiso 1 1 calc GR . . . .
H6C H 0.979380 0.398385 0.260152 0.080 Uiso 1 1 calc GR . . . .
C7 C 0.2820(3) 0.38715(17) 0.14923(18) 0.0403(5) Uani 1 1 d . . . . .
C8 C 0.1662(4) 0.4453(3) 0.0831(3) 0.0723(12) Uani 1 1 d . . . . .
H8A H 0.221649 0.467841 0.036303 0.108 Uiso 1 1 calc GR . . . .
H8B H 0.137790 0.487974 0.122835 0.108 Uiso 1 1 calc GR . . . .
H8C H 0.063913 0.417826 0.047211 0.108 Uiso 1 1 calc GR . . . .
O1 O 0.6601(5) 0.3179(3) 0.4645(3) 0.0362(8) Uani 0.5 1 d . . . C 1
O2 O 0.2929(5) 0.3119(3) 0.4105(3) 0.0316(7) Uani 0.5 1 d . . . C 1
O3 O 0.6445(6) 0.4030(3) 0.3008(3) 0.0352(8) Uani 0.5 1 d . . . C 1
O4A O 0.3423(6) 0.4064(3) 0.2333(4) 0.0361(9) Uani 0.5 1 d . . . C 1
O5A O 0.3078(6) 0.3209(4) 0.1085(4) 0.0383(11) Uani 0.5 1 d . . . C 1
O6 O 0.7109(5) 0.3172(3) 0.1966(3) 0.0347(8) Uani 0.5 1 d . . . C 1
O1A O 0.5959(6) 0.3094(3) 0.4834(3) 0.0424(9) Uani 0.5 1 d . . . C 2
O2A O 0.2472(5) 0.3175(2) 0.3720(3) 0.0304(7) Uani 0.5 1 d . . . C 2
O3A O 0.6871(5) 0.3828(3) 0.3355(3) 0.0366(8) Uani 0.5 1 d . . . C 2
O4 O 0.2896(6) 0.3919(3) 0.2416(4) 0.0351(9) Uani 0.5 1 d . . . C 2
O5 O 0.3599(6) 0.3420(4) 0.1102(4) 0.0395(11) Uani 0.5 1 d . . . C 2
O6A O 0.6620(5) 0.3427(2) 0.1802(3) 0.0333(8) Uani 0.5 1 d . . . C 2
F1 F 0.7223(4) 0.61263(15) 0.33714(19) 0.0864(8) Uani 1 1 d . . . . .
F2 F 0.3887(4) 0.61498(17) 0.25808(16) 0.0931(8) Uani 1 1 d . . . . .
F3 F 0.1833(3) 0.54466(14) 0.34877(15) 0.0705(6) Uani 1 1 d . . . . .
F4 F 0.1442(2) 0.46174(13) 0.49461(17) 0.0659(5) Uani 1 1 d . . . . .
C9 C 0.6228(5) 0.57597(18) 0.3840(2) 0.0555(8) Uani 1 1 d . . . . .
C10 C 0.4510(5) 0.5766(2) 0.3432(2) 0.0576(8) Uani 1 1 d . . . . .
C11 C 0.3479(4) 0.54072(18) 0.38941(19) 0.0475(6) Uani 1 1 d . . . . .
C12 C 0.4118(3) 0.50041(14) 0.47971(17) 0.0365(5) Uani 1 1 d . . . . .
C13 C 0.3102(4) 0.46158(16) 0.5306(2) 0.0459(6) Uani 1 1 d . . . . .
F5 F 0.5224(8) 0.5703(3) 0.0679(4) 0.0750(14) Uani 0.5 1 d . U . . .
F6 F 0.2039(6) 0.6060(3) -0.0010(3) 0.0876(16) Uani 0.5 1 d . U . . .
F7 F 0.1002(3) 0.750000 -0.0197(2) 0.0827(11) Uani 1 2 d S TU P . .
F8 F 0.3169(7) 0.8749(3) 0.0367(3) 0.0723(14) Uani 0.5 1 d . U . . .
F9 F 0.6207(8) 0.9223(3) 0.1088(3) 0.0749(14) Uani 0.5 1 d . U . . .
F10 F 0.9484(7) 0.8862(3) 0.1682(3) 0.0867(16) Uani 0.5 1 d . U . . .
F11 F 1.0522(4) 0.750000 0.1740(2) 0.1109(17) Uani 1 2 d S TU P . .
F12 F 0.8280(6) 0.6138(3) 0.1304(3) 0.0696(12) Uani 0.5 1 d . U . . .
C15 C 0.4813(7) 0.6467(4) 0.0642(4) 0.0477(12) Uani 0.5 1 d D U . . .
C16 C 0.3192(9) 0.6675(6) 0.0287(5) 0.0606(18) Uani 0.5 1 d D U . . .
C17 C 0.2636(5) 0.750000 0.0193(3) 0.0612(11) Uani 1 2 d DS TU P . .
C18 C 0.3777(9) 0.8018(4) 0.0481(4) 0.0509(14) Uani 0.5 1 d D U . . .
C19 C 0.6660(5) 0.8447(2) 0.1121(3) 0.0497(12) Uani 0.5 1 d D U . . .
C23 C 0.5497(4) 0.7837(2) 0.0866(2) 0.0392(12) Uani 0.5 1 d DG U . . .
C14 C 0.6032(4) 0.7052(2) 0.0919(2) 0.0334(10) Uani 0.5 1 d DG U . . .
C22 C 0.7729(5) 0.6878(3) 0.1227(3) 0.0445(12) Uani 0.5 1 d DG U . . .
C21 C 0.8892(3) 0.7497(3) 0.1482(2) 0.0537(10) Uani 1 2 d DGS TU P . .
C20 C 0.8357(5) 0.8273(3) 0.1429(3) 0.0548(14) Uani 0.5 1 d DG U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Pd1 3.1326(3) 4_565 ?
Pd1 Pd2 3.1082(2) . ?
Pd1 O1 1.995(4) . ?
Pd1 O2 1.987(4) . ?
Pd1 O3 2.019(4) . ?
Pd1 O4A 1.989(5) . ?
Pd1 O1A 2.002(4) . ?
Pd1 O2A 2.022(4) . ?
Pd1 O3A 1.972(5) . ?
Pd1 O4 1.991(5) . ?
Pd2 O5A 2.016(6) . ?
Pd2 O5A 2.016(6) 4_565 ?
Pd2 O6 1.991(4) . ?
Pd2 O6 1.991(4) 4_565 ?
Pd2 O5 1.991(6) . ?
Pd2 O5 1.991(6) 4_565 ?
Pd2 O6A 2.003(4) 4_565 ?
Pd2 O6A 2.003(4) . ?
C1 C2 1.518(5) . ?
C1 O1 1.306(5) 4_565 ?
C1 O1 1.306(5) . ?
C1 O1A 1.200(5) 4_565 ?
C1 O1A 1.200(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.509(5) . ?
C3 O2 1.232(4) 4_565 ?
C3 O2 1.232(5) . ?
C3 O2A 1.287(4) . ?
C3 O2A 1.287(4) 4_565 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.505(3) . ?
C5 O3 1.188(5) . ?
C5 O6 1.315(5) . ?
C5 O3A 1.331(5) . ?
C5 O6A 1.211(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.507(3) . ?
C7 O4A 1.203(6) . ?
C7 O5A 1.300(7) . ?
C7 O4 1.294(5) . ?
C7 O5 1.223(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
F1 C9 1.342(3) . ?
F2 C10 1.341(4) . ?
F3 C11 1.334(3) . ?
F4 C13 1.335(3) . ?
C9 C10 1.388(5) . ?
C9 C13 1.343(5) 3_666 ?
C10 C11 1.352(5) . ?
C11 C12 1.417(4) . ?
C12 C12 1.422(5) 3_666 ?
C12 C13 1.410(4) . ?
F5 F9 0.873(6) 4_575 ?
F5 C15 1.329(8) . ?
F5 C19 1.860(6) 4_575 ?
F6 F8 1.000(6) 4_575 ?
F6 C16 1.397(10) . ?
F7 C17 1.320(5) . ?
F8 C15 1.365(8) 4_575 ?
F8 C16 0.724(9) 4_575 ?
F8 C18 1.323(7) . ?
F9 F12 1.773(8) 4_575 ?
F9 C15 1.641(8) 4_575 ?
F9 C19 1.356(6) . ?
F10 F12 0.999(6) 4_575 ?
F10 C22 1.893(6) 4_575 ?
F10 C20 1.344(5) . ?
F11 C21 1.304(4) . ?
F12 C19 1.476(6) 4_575 ?
F12 C22 1.321(6) . ?
F12 C20 1.006(7) 4_575 ?
C15 C16 1.351(9) . ?
C15 C18 1.199(9) 4_575 ?
C15 C19 1.507(7) 4_575 ?
C15 C23 1.304(7) 4_575 ?
C15 C14 1.391(6) . ?
C16 C17 1.458(10) . ?
C16 C18 0.711(9) 4_575 ?
C17 C18 1.272(8) . ?
C17 C18 1.272(8) 4_575 ?
C18 C18 1.746(14) 4_575 ?
C18 C23 1.998(7) 4_575 ?
C18 C23 1.418(7) . ?
C18 C14 1.811(7) 4_575 ?
C19 C23 1.3900 . ?
C19 C14 0.990(6) 4_575 ?
C19 C22 1.020(5) 4_575 ?
C19 C20 1.3900 . ?
C23 C23 1.134(8) 4_575 ?
C23 C14 1.3900 . ?
C23 C14 0.469(3) 4_575 ?
C23 C22 1.849(2) 4_575 ?
C14 C14 1.509(7) 4_575 ?
C14 C22 1.3900 . ?
C14 C20 1.949(3) 4_575 ?
C22 C21 1.4009 . ?
C22 C20 0.581(4) 4_575 ?
C21 C20 1.3761 . ?
C21 C20 1.367(9) 4_575 ?

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
Pd2 Pd1 Pd1 59.739(4) . 4_565 ?
O1 Pd1 Pd1 77.78(13) . 4_565 ?
O1 Pd1 Pd2 110.52(12) . . ?
O1 Pd1 O3 84.38(18) . . ?
O2 Pd1 Pd1 74.70(12) . 4_565 ?
O2 Pd1 Pd2 119.30(12) . . ?
O2 Pd1 O1 95.13(17) . . ?
O2 Pd1 O3 164.52(17) . . ?
O2 Pd1 O4A 101.95(17) . . ?
O3 Pd1 Pd1 120.06(13) . 4_565 ?
O3 Pd1 Pd2 74.94(12) . . ?
O4A Pd1 Pd1 122.45(16) . 4_565 ?
O4A Pd1 Pd2 75.15(16) . . ?
O4A Pd1 O1 156.29(19) . . ?
O4A Pd1 O3 74.76(18) . . ?
O1A Pd1 Pd2 120.89(13) . . ?
O1A Pd1 O2A 92.31(18) . . ?
O2A Pd1 Pd2 109.51(12) . . ?
O3A Pd1 Pd2 78.63(13) . . ?
O3A Pd1 O1A 85.91(19) . . ?
O3A Pd1 O2A 171.25(18) . . ?
O3A Pd1 O4 108.30(18) . . ?
O4 Pd1 Pd2 78.68(15) . . ?
O4 Pd1 O1A 158.47(19) . . ?
O4 Pd1 O2A 71.15(16) . . ?
Pd1 Pd2 Pd1 60.521(7) 4_565 . ?
O5A Pd2 Pd1 77.15(18) . . ?
O5A Pd2 Pd1 111.99(15) . 4_565 ?
O5A Pd2 Pd1 111.98(15) 4_565 . ?
O5A Pd2 Pd1 77.15(18) 4_565 4_565 ?
O5A Pd2 O5A 72.6(3) 4_565 . ?
O6 Pd2 Pd1 111.48(13) 4_565 . ?
O6 Pd2 Pd1 111.48(13) . 4_565 ?
O6 Pd2 Pd1 78.08(12) . . ?
O6 Pd2 Pd1 78.08(12) 4_565 4_565 ?
O6 Pd2 O5A 108.1(2) . . ?
O6 Pd2 O5A 169.5(2) . 4_565 ?
O6 Pd2 O5A 169.5(2) 4_565 . ?
O6 Pd2 O5A 108.1(2) 4_565 4_565 ?
O6 Pd2 O6 69.3(2) 4_565 . ?
O6 Pd2 O5 92.3(2) 4_565 4_565 ?
O6 Pd2 O5 157.60(18) . 4_565 ?
O6 Pd2 O6A 17.11(12) 4_565 4_565 ?
O6 Pd2 O6A 86.0(2) . 4_565 ?
O5 Pd2 Pd1 75.18(17) . . ?
O5 Pd2 Pd1 121.91(15) 4_565 . ?
O5 Pd2 O6A 163.3(2) 4_565 . ?
O5 Pd2 O6A 75.18(19) . . ?
O6A Pd2 Pd1 73.80(13) . . ?
O6A Pd2 Pd1 120.45(12) 4_565 . ?
O1 C1 C2 114.5(2) 4_565 . ?
O1 C1 C2 114.5(2) . . ?
O1 C1 O1 122.3(4) . 4_565 ?
O1A C1 C2 118.5(2) . . ?
O1A C1 C2 118.5(2) 4_565 . ?
O1A C1 O1A 112.8(5) 4_565 . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O2 C3 C4 118.9(2) . . ?
O2 C3 C4 118.9(2) 4_565 . ?
O2 C3 O2 115.5(5) . 4_565 ?
O2 C3 O2A 26.55(18) 4_565 4_565 ?
O2 C3 O2A 126.9(3) . 4_565 ?
O2A C3 C4 114.3(2) 4_565 . ?
O2A C3 C4 114.3(2) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O3 C5 C6 118.3(3) . . ?
O3 C5 O6 126.8(3) . . ?
O6 C5 C6 114.9(3) . . ?
O3A C5 C6 116.3(3) . . ?
O6A C5 C6 118.9(3) . . ?
O6A C5 O3A 124.9(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O4A C7 C8 117.6(4) . . ?
O4A C7 O5A 126.5(4) . . ?
O5A C7 C8 115.9(3) . . ?
O4 C7 C8 115.8(3) . . ?
O5 C7 C8 116.8(3) . . ?
O5 C7 O4 127.4(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1 O1 Pd1 123.0(3) . . ?
C3 O2 Pd1 130.3(3) . . ?
C5 O3 Pd1 129.7(3) . . ?
C7 O4A Pd1 130.4(4) . . ?
C7 O5A Pd2 123.3(4) . . ?
C5 O6 Pd2 124.5(3) . . ?
C1 O1A Pd1 129.8(3) . . ?
C3 O2A Pd1 123.8(3) . . ?
C5 O3A Pd1 123.4(3) . . ?
C7 O4 Pd1 123.8(3) . . ?
C7 O5 Pd2 130.6(4) . . ?
C5 O6A Pd2 131.0(3) . . ?
F1 C9 C10 119.6(3) . . ?
F1 C9 C13 120.0(3) . 3_666 ?
C13 C9 C10 120.4(3) 3_666 . ?
F2 C10 C9 118.7(3) . . ?
F2 C10 C11 120.6(3) . . ?
C11 C10 C9 120.7(3) . . ?
F3 C11 C10 118.6(3) . . ?
F3 C11 C12 120.2(3) . . ?
C10 C11 C12 121.2(3) . . ?
C11 C12 C12 117.5(3) . 3_666 ?
C13 C12 C11 123.5(3) . . ?
C13 C12 C12 118.9(3) . 3_666 ?
F4 C13 C9 118.5(3) . 3_666 ?
F4 C13 C12 120.3(3) . . ?
C9 C13 C12 121.2(3) 3_666 . ?
F9 F5 C15 94.1(6) 4_575 . ?
F9 F5 C19 42.8(4) 4_575 4_575 ?
C15 F5 C19 53.3(3) . 4_575 ?
F8 F6 C16 29.7(5) 4_575 . ?
F6 F8 C15 164.1(7) 4_575 4_575 ?
F6 F8 C18 129.7(7) 4_575 . ?
C16 F8 F6 107.2(11) 4_575 4_575 ?
C16 F8 C15 73.5(8) 4_575 4_575 ?
C16 F8 C18 22.6(7) 4_575 . ?
C18 F8 C15 53.0(4) . 4_575 ?
F5 F9 F12 148.7(6) 4_575 4_575 ?
F5 F9 C15 53.8(5) 4_575 4_575 ?
F5 F9 C19 111.2(6) 4_575 . ?
C15 F9 F12 112.0(3) 4_575 4_575 ?
C19 F9 F12 54.3(3) . 4_575 ?
C19 F9 C15 59.5(3) . 4_575 ?
F12 F10 C22 41.4(4) 4_575 4_575 ?
F12 F10 C20 48.1(4) 4_575 . ?
C20 F10 C22 6.8(3) . 4_575 ?
F10 F12 F9 151.4(5) 4_575 4_575 ?
F10 F12 C19 145.8(6) 4_575 4_575 ?
F10 F12 C22 108.5(6) 4_575 . ?
F10 F12 C20 84.2(6) 4_575 4_575 ?
C19 F12 F9 48.3(3) 4_575 4_575 ?
C22 F12 F9 90.6(3) . 4_575 ?
C22 F12 C19 42.3(3) . 4_575 ?
C20 F12 F9 112.4(4) 4_575 4_575 ?
C20 F12 C19 64.9(4) 4_575 4_575 ?
C20 F12 C22 24.43(12) 4_575 . ?
F5 C15 F8 88.9(5) . 4_575 ?
F5 C15 F9 32.0(3) . 4_575 ?
F5 C15 C16 119.1(7) . . ?
F5 C15 C19 81.7(4) . 4_575 ?
F5 C15 C14 121.0(5) . . ?
F8 C15 F9 118.0(5) 4_575 4_575 ?
F8 C15 C19 166.5(5) 4_575 4_575 ?
F8 C15 C14 149.9(6) 4_575 . ?
C16 C15 F8 30.9(4) . 4_575 ?
C16 C15 F9 148.9(6) . 4_575 ?
C16 C15 C19 159.1(7) . 4_575 ?
C16 C15 C14 119.9(7) . . ?
C18 C15 F5 150.6(6) 4_575 . ?
C18 C15 F8 61.7(4) 4_575 4_575 ?
C18 C15 F9 168.6(6) 4_575 4_575 ?
C18 C15 C16 31.7(5) 4_575 . ?
C18 C15 C19 127.4(6) 4_575 4_575 ?
C18 C15 C23 68.9(5) 4_575 4_575 ?
C18 C15 C14 88.4(5) 4_575 . ?
C19 C15 F9 50.8(3) 4_575 4_575 ?
C23 C15 F5 140.4(5) 4_575 . ?
C23 C15 F8 130.2(6) 4_575 4_575 ?
C23 C15 F9 109.1(4) 4_575 4_575 ?
C23 C15 C16 100.5(7) 4_575 . ?
C23 C15 C19 58.7(3) 4_575 4_575 ?
C23 C15 C14 19.72(18) 4_575 . ?
C14 C15 F9 90.5(4) . 4_575 ?
C14 C15 C19 39.7(3) . 4_575 ?
F6 C16 C17 120.3(6) . . ?
F8 C16 F6 43.1(8) 4_575 . ?
F8 C16 C15 75.6(9) 4_575 . ?
F8 C16 C17 158.8(11) 4_575 . ?
C15 C16 F6 116.9(8) . . ?
C15 C16 C17 122.7(8) . . ?
C18 C16 F6 174.9(10) 4_575 . ?
C18 C16 F8 134.3(14) 4_575 4_575 ?
C18 C16 C15 62.3(9) 4_575 . ?
C18 C16 C17 60.7(10) 4_575 . ?
F7 C17 C16 107.6(4) . . ?
F7 C17 C16 107.6(4) . 4_575 ?
C16 C17 C16 144.5(7) 4_575 . ?
C18 C17 F7 136.6(3) 4_575 . ?
C18 C17 F7 136.6(3) . . ?
C18 C17 C16 115.8(6) . . ?
C18 C17 C16 115.8(6) 4_575 4_575 ?
C18 C17 C16 29.2(3) 4_575 . ?
C18 C17 C16 29.2(3) . 4_575 ?
C18 C17 C18 86.7(6) 4_575 . ?
F8 C18 C18 158.4(4) . 4_575 ?
F8 C18 C23 157.7(6) . 4_575 ?
F8 C18 C23 124.0(6) . . ?
F8 C18 C14 115.4(6) . 4_575 ?
C15 C18 F8 65.3(5) 4_575 . ?
C15 C18 C17 172.4(6) 4_575 . ?
C15 C18 C18 136.3(4) 4_575 4_575 ?
C15 C18 C23 92.6(5) 4_575 4_575 ?
C15 C18 C23 59.1(4) 4_575 . ?
C15 C18 C14 50.2(4) 4_575 4_575 ?
C16 C18 F8 23.1(8) 4_575 . ?
C16 C18 C15 86.0(10) 4_575 4_575 ?
C16 C18 C17 90.1(10) 4_575 . ?
C16 C18 C18 136.5(9) 4_575 4_575 ?
C16 C18 C23 144.9(12) 4_575 . ?
C16 C18 C23 172.7(9) 4_575 4_575 ?
C16 C18 C14 135.7(11) 4_575 4_575 ?
C17 C18 F8 111.8(6) . . ?
C17 C18 C18 46.7(3) . 4_575 ?
C17 C18 C23 90.5(4) . 4_575 ?
C17 C18 C23 124.1(5) . . ?
C17 C18 C14 132.6(5) . 4_575 ?
C18 C18 C23 43.9(2) 4_575 4_575 ?
C18 C18 C14 86.2(2) 4_575 4_575 ?
C23 C18 C18 77.5(3) . 4_575 ?
C23 C18 C23 33.7(3) . 4_575 ?
C23 C18 C14 9.2(3) . 4_575 ?
C14 C18 C23 42.45(16) 4_575 4_575 ?
F9 C19 F5 26.0(3) . 4_575 ?
F9 C19 F12 77.4(4) . 4_575 ?
F9 C19 C15 69.7(4) . 4_575 ?
F9 C19 C23 122.5(4) . . ?
F9 C19 C20 117.5(4) . . ?
F12 C19 F5 99.6(3) 4_575 4_575 ?
F12 C19 C15 143.4(4) 4_575 4_575 ?
C15 C19 F5 45.0(3) 4_575 4_575 ?
C23 C19 F5 98.3(3) . 4_575 ?
C23 C19 F12 158.8(3) . 4_575 ?
C23 C19 C15 53.3(3) . 4_575 ?
C23 C19 C20 120.0 . . ?
C14 C19 F5 108.5(3) 4_575 4_575 ?
C14 C19 F9 133.5(4) 4_575 . ?
C14 C19 F12 146.8(4) 4_575 4_575 ?
C14 C19 C15 63.8(3) 4_575 4_575 ?
C14 C19 C23 12.00(18) 4_575 . ?
C14 C19 C22 87.5(6) 4_575 4_575 ?
C14 C19 C20 108.8(2) 4_575 . ?
C22 C19 F5 156.5(4) 4_575 4_575 ?
C22 C19 F9 138.1(5) 4_575 . ?
C22 C19 F12 60.7(3) 4_575 4_575 ?
C22 C19 C15 149.1(5) 4_575 4_575 ?
C22 C19 C23 99.1(4) 4_575 . ?
C22 C19 C20 21.7(4) 4_575 . ?
C20 C19 F5 140.5(3) . 4_575 ?
C20 C19 F12 41.0(3) . 4_575 ?
C20 C19 C15 169.8(3) . 4_575 ?
C15 C23 C18 110.4(4) 4_575 4_575 ?
C15 C23 C18 52.1(4) 4_575 . ?
C15 C23 C19 67.9(3) 4_575 . ?
C15 C23 C14 168.5(3) 4_575 . ?
C15 C23 C22 99.9(4) 4_575 4_575 ?
C18 C23 C18 58.6(5) . 4_575 ?
C18 C23 C22 151.8(4) . 4_575 ?
C19 C23 C18 178.4(3) . 4_575 ?
C19 C23 C18 119.8(4) . . ?
C19 C23 C14 120.0 . . ?
C19 C23 C22 33.0(3) . 4_575 ?
C23 C23 C15 154.0(3) 4_575 4_575 ?
C23 C23 C18 102.5(4) 4_575 . ?
C23 C23 C18 43.9(3) 4_575 4_575 ?
C23 C23 C19 137.7 4_575 . ?
C23 C23 C14 18.0 4_575 . ?
C23 C23 C22 105.1(3) 4_575 4_575 ?
C14 C23 C15 90.6(9) 4_575 4_575 ?
C14 C23 C18 120.0(4) . . ?
C14 C23 C18 141.9(9) 4_575 . ?
C14 C23 C18 155.3(8) 4_575 4_575 ?
C14 C23 C18 61.6(3) . 4_575 ?
C14 C23 C19 26.0(7) 4_575 . ?
C14 C23 C23 113.6(8) 4_575 4_575 ?
C14 C23 C14 95.5(8) 4_575 . ?
C14 C23 C22 87.1(3) . 4_575 ?
C14 C23 C22 10.4(5) 4_575 4_575 ?
C22 C23 C18 148.5(3) 4_575 4_575 ?
C15 C14 C18 41.4(3) . 4_575 ?
C15 C14 C14 135.1(3) . 4_575 ?
C15 C14 C20 118.6(4) . 4_575 ?
C18 C14 C20 159.8(4) 4_575 4_575 ?
C19 C14 C15 76.5(4) 4_575 . ?
C19 C14 C18 117.3(5) 4_575 4_575 ?
C19 C14 C23 163.6(5) 4_575 . ?
C19 C14 C14 148.2(4) 4_575 4_575 ?
C19 C14 C22 47.1(4) 4_575 . ?
C19 C14 C20 42.49(19) 4_575 4_575 ?
C23 C14 C15 117.4(4) . . ?
C23 C14 C15 69.7(7) 4_575 . ?
C23 C14 C18 76.0(3) . 4_575 ?
C23 C14 C18 28.9(7) 4_575 4_575 ?
C23 C14 C19 142.0(9) 4_575 4_575 ?
C23 C14 C23 48.4(8) 4_575 . ?
C23 C14 C14 66.4(8) 4_575 4_575 ?
C23 C14 C14 18.0 . 4_575 ?
C23 C14 C22 166.1(7) 4_575 . ?
C23 C14 C20 123.9(3) . 4_575 ?
C23 C14 C20 166.5(5) 4_575 4_575 ?
C14 C14 C18 93.8(3) 4_575 4_575 ?
C14 C14 C20 106.3(3) 4_575 4_575 ?
C22 C14 C15 122.6(4) . . ?
C22 C14 C18 164.0(3) . 4_575 ?
C22 C14 C23 120.0 . . ?
C22 C14 C14 102.2 . 4_575 ?
C22 C14 C20 5.5(2) . 4_575 ?
F12 C22 F10 30.0(3) . 4_575 ?
F12 C22 C23 124.5(4) . 4_575 ?
F12 C22 C14 121.6(4) . . ?
F12 C22 C21 118.8(4) . . ?
C19 C22 F10 104.9(4) 4_575 4_575 ?
C19 C22 F12 77.0(5) 4_575 . ?
C19 C22 C23 47.93(14) 4_575 4_575 ?
C19 C22 C14 45.4(4) 4_575 . ?
C19 C22 C21 161.9(4) 4_575 . ?
C23 C22 F10 152.6(4) 4_575 4_575 ?
C14 C22 F10 150.2(3) . 4_575 ?
C14 C22 C23 3.48(19) . 4_575 ?
C14 C22 C21 119.6 . . ?
C21 C22 F10 89.3(3) . 4_575 ?
C21 C22 C23 116.6(2) . 4_575 ?
C20 C22 F10 15.9(7) 4_575 4_575 ?
C20 C22 F12 45.7(7) 4_575 . ?
C20 C22 C19 117.9(10) 4_575 4_575 ?
C20 C22 C23 161.7(6) 4_575 4_575 ?
C20 C22 C14 161.1(6) 4_575 . ?
C20 C22 C21 74.6(9) 4_575 . ?
F11 C21 C22 131.8(4) . . ?
F11 C21 C22 131.1(6) . 4_575 ?
F11 C21 C20 108.5(5) . 4_575 ?
F11 C21 C20 107.9(4) . . ?
C22 C21 C22 96.5(2) . 4_575 ?
C22 C21 C20 120.2 . . ?
C20 C21 C22 24.0(2) . 4_575 ?
C20 C21 C22 24.19(13) 4_575 . ?
C20 C21 C22 120.35(10) 4_575 4_575 ?
C20 C21 C20 143.44(13) 4_575 . ?
F10 C20 C19 120.2(4) . . ?
F10 C20 C14 148.8(5) . 4_575 ?
F10 C20 C21 119.6(4) . . ?
F12 C20 F10 47.7(4) 4_575 . ?
F12 C20 C19 74.1(4) 4_575 . ?
F12 C20 C14 101.7(4) 4_575 4_575 ?
F12 C20 C21 161.8(5) 4_575 . ?
C19 C20 C14 28.75(19) . 4_575 ?
C22 C20 F10 157.2(10) 4_575 . ?
C22 C20 F12 109.8(10) 4_575 4_575 ?
C22 C20 C19 40.4(7) 4_575 . ?
C22 C20 C14 13.4(4) 4_575 4_575 ?
C22 C20 C21 81.1(7) 4_575 . ?
C21 C20 C19 120.2 . . ?
C21 C20 C14 91.52(19) . 4_575 ?

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
C2 C1 O1 Pd1 -165.3(3) . . . . ?
C2 C1 O1A Pd1 161.1(3) . . . . ?
C4 C3 O2 Pd1 -163.4(3) . . . . ?
C4 C3 O2A Pd1 167.6(3) . . . . ?
C6 C5 O3 Pd1 -165.1(3) . . . . ?
C6 C5 O6 Pd2 -167.5(3) . . . . ?
C6 C5 O3A Pd1 164.9(3) . . . . ?
C6 C5 O6A Pd2 162.3(3) . . . . ?
C8 C7 O4A Pd1 169.6(3) . . . . ?
C8 C7 O5A Pd2 159.9(3) . . . . ?
C8 C7 O4 Pd1 -163.9(3) . . . . ?
C8 C7 O5 Pd2 -173.0(4) . . . . ?
O1 C1 O1 Pd1 48.9(7) 4_565 . . . ?
O2 C3 O2 Pd1 45.8(7) 4_565 . . . ?
O3 C5 O6 Pd2 10.1(6) . . . . ?
O4A C7 O5A Pd2 -19.4(6) . . . . ?
O5A C7 O4A Pd1 -11.2(6) . . . . ?
O6 C5 O3 Pd1 17.3(7) . . . . ?
O1A C1 O1A Pd1 -54.0(7) 4_565 . . . ?
O2A C3 O2A Pd1 -44.1(7) 4_565 . . . ?
O3A C5 O6A Pd2 -18.2(6) . . . . ?
O4 C7 O5 Pd2 8.5(8) . . . . ?
O5 C7 O4 Pd1 14.7(7) . . . . ?
O6A C5 O3A Pd1 -14.5(6) . . . . ?
F1 C9 C10 F2 -0.9(5) . . . . ?
F1 C9 C10 C11 -179.4(3) . . . . ?
F2 C10 C11 F3 -0.3(5) . . . . ?
F2 C10 C11 C12 -179.5(3) . . . . ?
F3 C11 C12 C12 -178.8(3) . . . 3_666 ?
F3 C11 C12 C13 1.2(4) . . . . ?
C9 C10 C11 F3 178.2(3) . . . . ?
C9 C10 C11 C12 -1.1(5) . . . . ?
C10 C11 C12 C12 0.5(4) . . . 3_666 ?
C10 C11 C12 C13 -179.5(3) . . . . ?
C11 C12 C13 F4 -0.4(4) . . . . ?
C11 C12 C13 C9 179.8(3) . . . 3_666 ?
C12 C12 C13 F4 179.6(3) 3_666 . . . ?
C12 C12 C13 C9 -0.2(4) 3_666 . . 3_666 ?
C13 C9 C10 F2 179.7(3) 3_666 . . . ?
C13 C9 C10 C11 1.2(5) 3_666 . . . ?
F5 F9 C19 F12 148.2(8) 4_575 . . 4_575 ?
F5 F9 C19 C15 -15.5(7) 4_575 . . 4_575 ?
F5 F9 C19 C23 -23.7(9) 4_575 . . . ?
F5 F9 C19 C14 -17.7(10) 4_575 . . 4_575 ?
F5 F9 C19 C22 147.9(6) 4_575 . . 4_575 ?
F5 F9 C19 C20 156.6(6) 4_575 . . . ?
F5 C15 C16 F6 0.8(9) . . . . ?
F5 C15 C16 F8 13.5(10) . . . 4_575 ?
F5 C15 C16 C17 -178.1(6) . . . . ?
F5 C15 C16 C18 175.1(9) . . . 4_575 ?
F5 C15 C14 C18 -178.9(8) . . . 4_575 ?
F5 C15 C14 C19 -8.9(6) . . . 4_575 ?
F5 C15 C14 C23 -171.3(6) . . . 4_575 ?
F5 C15 C14 C23 -179.5(4) . . . . ?
F5 C15 C14 C14 176.0(4) . . . 4_575 ?
F5 C15 C14 C22 1.4(7) . . . . ?
F5 C15 C14 C20 -3.0(6) . . . 4_575 ?
F5 C19 C23 C15 -0.6(3) 4_575 . . 4_575 ?
F5 C19 C23 C18 -5.1(4) 4_575 . . . ?
F5 C19 C23 C23 174.4(3) 4_575 . . 4_575 ?
F5 C19 C23 C14 148.4(7) 4_575 . . 4_575 ?
F5 C19 C23 C14 170.1(3) 4_575 . . . ?
F5 C19 C23 C22 164.1(3) 4_575 . . 4_575 ?
F5 C19 C20 F10 16.0(4) 4_575 . . . ?
F5 C19 C20 F12 3.3(4) 4_575 . . 4_575 ?
F5 C19 C20 C14 -159.8(4) 4_575 . . 4_575 ?
F5 C19 C20 C22 -148.2(6) 4_575 . . 4_575 ?
F5 C19 C20 C21 -164.4(4) 4_575 . . . ?
F6 F8 C18 C15 159.9(8) 4_575 . . 4_575 ?
F6 F8 C18 C16 8(2) 4_575 . . 4_575 ?
F6 F8 C18 C17 -12.4(10) 4_575 . . . ?
F6 F8 C18 C18 -17.5(15) 4_575 . . 4_575 ?
F6 F8 C18 C23 166.7(7) 4_575 . . . ?
F6 F8 C18 C23 169.0(10) 4_575 . . 4_575 ?
F6 F8 C18 C14 163.2(6) 4_575 . . 4_575 ?
F6 C16 C17 F7 -0.5(7) . . . . ?
F6 C16 C17 C16 -173.1(6) . . . 4_575 ?
F6 C16 C17 C18 -179.9(6) . . . . ?
F6 C16 C17 C18 174.2(12) . . . 4_575 ?
F7 C17 C18 F8 0.5(9) . . . . ?
F7 C17 C18 C16 -7.3(11) . . . 4_575 ?
F7 C17 C18 C18 177.9(8) . . . 4_575 ?
F7 C17 C18 C23 179.9(5) . . . 4_575 ?
F7 C17 C18 C23 -178.7(4) . . . . ?
F7 C17 C18 C14 -174.1(4) . . . 4_575 ?
F8 F6 C16 C15 18.1(8) 4_575 . . . ?
F8 F6 C16 C17 -162.9(14) 4_575 . . . ?
F8 C15 C16 F6 -12.7(6) 4_575 . . . ?
F8 C15 C16 C17 168.3(13) 4_575 . . . ?
F8 C15 C16 C18 161.6(14) 4_575 . . 4_575 ?
F8 C15 C14 C18 -6.7(8) 4_575 . . 4_575 ?
F8 C15 C14 C19 163.3(10) 4_575 . . 4_575 ?
F8 C15 C14 C23 0.9(9) 4_575 . . 4_575 ?
F8 C15 C14 C23 -7.3(11) 4_575 . . . ?
F8 C15 C14 C14 -11.8(12) 4_575 . . 4_575 ?
F8 C15 C14 C22 173.6(8) 4_575 . . . ?
F8 C15 C14 C20 169.1(8) 4_575 . . 4_575 ?
F8 C16 C17 F7 -34(3) 4_575 . . . ?
F8 C16 C17 C16 153(2) 4_575 . . 4_575 ?
F8 C16 C17 C18 140(4) 4_575 . . 4_575 ?
F8 C16 C17 C18 146(3) 4_575 . . . ?
F8 C18 C23 C15 -7.2(5) . . . 4_575 ?
F8 C18 C23 C18 178.4(5) . . . 4_575 ?
F8 C18 C23 C19 -2.0(7) . . . . ?
F8 C18 C23 C23 178.4(5) . . . 4_575 ?
F8 C18 C23 C14 -177.1(5) . . . . ?
F8 C18 C23 C14 -20.5(10) . . . 4_575 ?
F8 C18 C23 C22 -14.5(11) . . . 4_575 ?
F9 F5 C15 F8 -156.4(6) 4_575 . . 4_575 ?
F9 F5 C15 C16 -163.3(7) 4_575 . . . ?
F9 F5 C15 C18 -158.1(12) 4_575 . . 4_575 ?
F9 F5 C15 C19 14.0(6) 4_575 . . 4_575 ?
F9 F5 C15 C23 15.1(11) 4_575 . . 4_575 ?
F9 F5 C15 C14 19.7(8) 4_575 . . . ?
F9 F12 C22 F10 158.3(6) 4_575 . . 4_575 ?
F9 F12 C22 C19 0.2(4) 4_575 . . 4_575 ?
F9 F12 C22 C23 -6.0(4) 4_575 . . 4_575 ?
F9 F12 C22 C14 -8.2(3) 4_575 . . . ?
F9 F12 C22 C21 170.6(3) 4_575 . . . ?
F9 F12 C22 C20 153.9(5) 4_575 . . 4_575 ?
F9 C15 C16 F6 -16.3(15) 4_575 . . . ?
F9 C15 C16 F8 -3.6(16) 4_575 . . 4_575 ?
F9 C15 C16 C17 164.7(8) 4_575 . . . ?
F9 C15 C16 C18 158.0(12) 4_575 . . 4_575 ?
F9 C15 C14 C18 -168.6(6) 4_575 . . 4_575 ?
F9 C15 C14 C19 1.4(4) 4_575 . . 4_575 ?
F9 C15 C14 C23 -161.0(4) 4_575 . . 4_575 ?
F9 C15 C14 C23 -169.2(3) 4_575 . . . ?
F9 C15 C14 C14 -173.7(4) 4_575 . . 4_575 ?
F9 C15 C14 C22 11.7(4) 4_575 . . . ?
F9 C15 C14 C20 7.3(4) 4_575 . . 4_575 ?
F9 C19 C23 C15 9.6(4) . . . 4_575 ?
F9 C19 C23 C18 5.2(5) . . . . ?
F9 C19 C23 C23 -175.4(4) . . . 4_575 ?
F9 C19 C23 C14 158.6(8) . . . 4_575 ?
F9 C19 C23 C14 -179.7(4) . . . . ?
F9 C19 C23 C22 174.3(4) . . . 4_575 ?
F9 C19 C20 F10 0.2(4) . . . . ?
F9 C19 C20 F12 -12.6(4) . . . 4_575 ?
F9 C19 C20 C14 -175.7(4) . . . 4_575 ?
F9 C19 C20 C22 -164.0(6) . . . 4_575 ?
F9 C19 C20 C21 179.7(4) . . . . ?
F10 F12 C22 C19 -158.2(6) 4_575 . . 4_575 ?
F10 F12 C22 C23 -164.3(4) 4_575 . . 4_575 ?
F10 F12 C22 C14 -166.5(4) 4_575 . . . ?
F10 F12 C22 C21 12.2(6) 4_575 . . . ?
F10 F12 C22 C20 -4.5(4) 4_575 . . 4_575 ?
F10 C22 C21 F11 11.2(3) 4_575 . . . ?
F10 C22 C21 C22 -177.0(3) 4_575 . . 4_575 ?
F10 C22 C21 C20 -172.6(3) 4_575 . . . ?
F10 C22 C21 C20 -6.2(3) 4_575 . . 4_575 ?
F11 C21 C20 F10 -3.5(4) . . . . ?
F11 C21 C20 F12 37.9(12) . . . 4_575 ?
F11 C21 C20 C19 176.9(3) . . . . ?
F11 C21 C20 C14 174.7(3) . . . 4_575 ?
F11 C21 C20 C22 166.3(3) . . . 4_575 ?
F12 F9 C19 F5 -148.2(8) 4_575 . . 4_575 ?
F12 F9 C19 C15 -163.7(4) 4_575 . . 4_575 ?
F12 F9 C19 C23 -171.9(4) 4_575 . . . ?
F12 F9 C19 C14 -165.9(5) 4_575 . . 4_575 ?
F12 F9 C19 C22 -0.3(4) 4_575 . . 4_575 ?
F12 F9 C19 C20 8.4(2) 4_575 . . . ?
F12 F10 C20 C19 -16.7(5) 4_575 . . . ?
F12 F10 C20 C14 -12.8(7) 4_575 . . 4_575 ?
F12 F10 C20 C22 10.4(12) 4_575 . . 4_575 ?
F12 F10 C20 C21 163.7(5) 4_575 . . . ?
F12 C19 C23 C15 -148.0(10) 4_575 . . 4_575 ?
F12 C19 C23 C18 -152.5(9) 4_575 . . . ?
F12 C19 C23 C23 27.0(8) 4_575 . . 4_575 ?
F12 C19 C23 C14 22.7(8) 4_575 . . . ?
F12 C19 C23 C14 1.0(9) 4_575 . . 4_575 ?
F12 C19 C23 C22 16.7(8) 4_575 . . 4_575 ?
F12 C19 C20 F10 12.8(4) 4_575 . . . ?
F12 C19 C20 C14 -163.1(4) 4_575 . . 4_575 ?
F12 C19 C20 C22 -151.4(6) 4_575 . . 4_575 ?
F12 C19 C20 C21 -167.7(4) 4_575 . . . ?
F12 C22 C21 F11 5.2(4) . . . . ?
F12 C22 C21 C22 176.9(4) . . . 4_575 ?
F12 C22 C21 C20 -12.3(4) . . . 4_575 ?
F12 C22 C21 C20 -178.7(4) . . . . ?
C15 F8 C18 C16 -152(2) 4_575 . . 4_575 ?
C15 F8 C18 C17 -172.4(7) 4_575 . . . ?
C15 F8 C18 C18 -177.4(10) 4_575 . . 4_575 ?
C15 F8 C18 C23 9.1(12) 4_575 . . 4_575 ?
C15 F8 C18 C23 6.8(5) 4_575 . . . ?
C15 F8 C18 C14 3.3(4) 4_575 . . 4_575 ?
C15 F9 C19 F5 15.5(7) 4_575 . . 4_575 ?
C15 F9 C19 F12 163.7(4) 4_575 . . 4_575 ?
C15 F9 C19 C23 -8.2(4) 4_575 . . . ?
C15 F9 C19 C14 -2.2(4) 4_575 . . 4_575 ?
C15 F9 C19 C22 163.3(5) 4_575 . . 4_575 ?
C15 F9 C19 C20 172.1(4) 4_575 . . . ?
C15 C16 C17 F7 178.5(6) . . . . ?
C15 C16 C17 C16 5.8(16) . . . 4_575 ?
C15 C16 C17 C18 -6.8(7) . . . 4_575 ?
C15 C16 C17 C18 -1.0(9) . . . . ?
C15 C18 C23 C18 -174.4(4) 4_575 . . 4_575 ?
C15 C18 C23 C19 5.2(5) 4_575 . . . ?
C15 C18 C23 C23 -174.4(4) 4_575 . . 4_575 ?
C15 C18 C23 C14 -169.9(4) 4_575 . . . ?
C15 C18 C23 C14 -13.3(8) 4_575 . . 4_575 ?
C15 C18 C23 C22 -7.3(8) 4_575 . . 4_575 ?
C15 C19 C23 C18 -4.5(4) 4_575 . . . ?
C15 C19 C23 C23 175.0(4) 4_575 . . 4_575 ?
C15 C19 C23 C14 149.0(7) 4_575 . . 4_575 ?
C15 C19 C23 C14 170.7(4) 4_575 . . . ?
C15 C19 C23 C22 164.7(4) 4_575 . . 4_575 ?
C15 C19 C20 F10 134(2) 4_575 . . . ?
C15 C19 C20 F12 121(2) 4_575 . . 4_575 ?
C15 C19 C20 C14 -42.2(18) 4_575 . . 4_575 ?
C15 C19 C20 C22 -30.6(19) 4_575 . . 4_575 ?
C15 C19 C20 C21 -46.8(19) 4_575 . . . ?
C15 C23 C14 C15 -47.7(18) 4_575 . . . ?
C15 C23 C14 C18 -48.1(19) 4_575 . . 4_575 ?
C15 C23 C14 C19 166.4(18) 4_575 . . 4_575 ?
C15 C23 C14 C23 -58.0(19) 4_575 . . 4_575 ?
C15 C23 C14 C14 122.0(19) 4_575 . . 4_575 ?
C15 C23 C14 C22 131.4(19) 4_575 . . . ?
C15 C23 C14 C20 136.0(19) 4_575 . . 4_575 ?
C15 C14 C22 F10 -15.8(5) . . . 4_575 ?
C15 C14 C22 F12 -2.3(4) . . . . ?
C15 C14 C22 C19 -13.8(5) . . . 4_575 ?
C15 C14 C22 C23 -150(2) . . . 4_575 ?
C15 C14 C22 C21 179.0(4) . . . . ?
C15 C14 C22 C20 -45(2) . . . 4_575 ?
C16 F8 C18 C15 152(2) 4_575 . . 4_575 ?
C16 F8 C18 C17 -20(2) 4_575 . . . ?
C16 F8 C18 C18 -25(2) 4_575 . . 4_575 ?
C16 F8 C18 C23 161(3) 4_575 . . 4_575 ?
C16 F8 C18 C23 159(2) 4_575 . . . ?
C16 F8 C18 C14 155(2) 4_575 . . 4_575 ?
C16 C15 C14 C18 4.1(5) . . . 4_575 ?
C16 C15 C14 C19 174.1(7) . . . 4_575 ?
C16 C15 C14 C23 11.7(5) . . . 4_575 ?
C16 C15 C14 C23 3.5(7) . . . . ?
C16 C15 C14 C14 -1.0(8) . . . 4_575 ?
C16 C15 C14 C22 -175.5(5) . . . . ?
C16 C15 C14 C20 180.0(5) . . . 4_575 ?
C16 C17 C18 F8 179.7(5) . . . . ?
C16 C17 C18 F8 7.8(7) 4_575 . . . ?
C16 C17 C18 C16 171.9(10) . . . 4_575 ?
C16 C17 C18 C18 -2.8(4) . . . 4_575 ?
C16 C17 C18 C18 -174.7(7) 4_575 . . 4_575 ?
C16 C17 C18 C23 -0.8(5) . . . 4_575 ?
C16 C17 C18 C23 -172.7(9) 4_575 . . 4_575 ?
C16 C17 C18 C23 -171.3(12) 4_575 . . . ?
C16 C17 C18 C23 0.6(8) . . . . ?
C16 C17 C18 C14 -166.8(12) 4_575 . . 4_575 ?
C16 C17 C18 C14 5.1(8) . . . 4_575 ?
C16 C18 C23 C15 7.0(15) 4_575 . . 4_575 ?
C16 C18 C23 C18 -167.4(15) 4_575 . . 4_575 ?
C16 C18 C23 C19 12.3(17) 4_575 . . . ?
C16 C18 C23 C23 -167.4(16) 4_575 . . 4_575 ?
C16 C18 C23 C14 -6(2) 4_575 . . 4_575 ?
C16 C18 C23 C14 -162.9(15) 4_575 . . . ?
C16 C18 C23 C22 0(2) 4_575 . . 4_575 ?
C17 C18 C23 C15 171.9(8) . . . 4_575 ?
C17 C18 C23 C18 -2.5(6) . . . 4_575 ?
C17 C18 C23 C19 177.1(4) . . . . ?
C17 C18 C23 C23 -2.5(6) . . . 4_575 ?
C17 C18 C23 C14 1.9(7) . . . . ?
C17 C18 C23 C14 158.6(7) . . . 4_575 ?
C17 C18 C23 C22 164.6(4) . . . 4_575 ?
C18 C15 C16 F6 -174.3(12) 4_575 . . . ?
C18 C15 C16 F8 -161.6(14) 4_575 . . 4_575 ?
C18 C15 C16 C17 6.7(6) 4_575 . . . ?
C18 C15 C14 C19 170.0(5) 4_575 . . 4_575 ?
C18 C15 C14 C23 -0.6(5) 4_575 . . . ?
C18 C15 C14 C23 7.6(4) 4_575 . . 4_575 ?
C18 C15 C14 C14 -5.1(6) 4_575 . . 4_575 ?
C18 C15 C14 C22 -179.6(3) 4_575 . . . ?
C18 C15 C14 C20 175.9(3) 4_575 . . 4_575 ?
C18 C16 C17 F7 -174.7(8) 4_575 . . . ?
C18 C16 C17 C16 12.6(16) 4_575 . . 4_575 ?
C18 C16 C17 C18 5.8(7) 4_575 . . . ?
C18 C17 C18 F8 -177.4(3) 4_575 . . . ?
C18 C17 C18 C16 174.7(7) 4_575 . . 4_575 ?
C18 C17 C18 C23 3.4(8) 4_575 . . . ?
C18 C17 C18 C23 2.0(5) 4_575 . . 4_575 ?
C18 C17 C18 C14 8.0(8) 4_575 . . 4_575 ?
C18 C18 C23 C15 174.4(4) 4_575 . . 4_575 ?
C18 C18 C23 C19 179.6(3) 4_575 . . . ?
C18 C18 C23 C23 0.00(15) 4_575 . . 4_575 ?
C18 C18 C23 C14 4.5(2) 4_575 . . . ?
C18 C18 C23 C14 161.1(7) 4_575 . . 4_575 ?
C18 C18 C23 C22 167.1(7) 4_575 . . 4_575 ?
C18 C23 C14 C15 -3.9(5) . . . . ?
C18 C23 C14 C15 0.4(4) 4_575 . . . ?
C18 C23 C14 C18 -4.3(2) . . . 4_575 ?
C18 C23 C14 C19 -145.5(17) 4_575 . . 4_575 ?
C18 C23 C14 C19 -149.8(16) . . . 4_575 ?
C18 C23 C14 C23 -14.2(4) . . . 4_575 ?
C18 C23 C14 C23 -9.9(3) 4_575 . . 4_575 ?
C18 C23 C14 C14 170.1(3) 4_575 . . 4_575 ?
C18 C23 C14 C14 165.8(4) . . . 4_575 ?
C18 C23 C14 C22 179.5(3) 4_575 . . . ?
C18 C23 C14 C22 175.1(4) . . . . ?
C18 C23 C14 C20 179.8(4) . . . 4_575 ?
C18 C23 C14 C20 -175.9(3) 4_575 . . 4_575 ?
C18 C14 C22 F10 -16.7(10) 4_575 . . 4_575 ?
C18 C14 C22 F12 -3.1(9) 4_575 . . . ?
C18 C14 C22 C19 -14.6(10) 4_575 . . 4_575 ?
C18 C14 C22 C23 -151(2) 4_575 . . 4_575 ?
C18 C14 C22 C21 178.1(9) 4_575 . . . ?
C18 C14 C22 C20 -46(2) 4_575 . . 4_575 ?
C19 F5 C15 F8 -170.4(5) 4_575 . . 4_575 ?
C19 F5 C15 F9 -14.0(6) 4_575 . . 4_575 ?
C19 F5 C15 C16 -177.3(7) 4_575 . . . ?
C19 F5 C15 C18 -172.1(14) 4_575 . . 4_575 ?
C19 F5 C15 C23 1.1(7) 4_575 . . 4_575 ?
C19 F5 C15 C14 5.7(4) 4_575 . . . ?
C19 F12 C22 F10 158.2(6) 4_575 . . 4_575 ?
C19 F12 C22 C23 -6.1(3) 4_575 . . 4_575 ?
C19 F12 C22 C14 -8.4(3) 4_575 . . . ?
C19 F12 C22 C21 170.4(5) 4_575 . . . ?
C19 F12 C22 C20 153.7(3) 4_575 . . 4_575 ?
C19 C15 C16 F6 -171.5(12) 4_575 . . . ?
C19 C15 C16 F8 -158.9(14) 4_575 . . 4_575 ?
C19 C15 C16 C17 9.5(19) 4_575 . . . ?
C19 C15 C16 C18 2.8(18) 4_575 . . 4_575 ?
C19 C15 C14 C18 -170.0(5) 4_575 . . 4_575 ?
C19 C15 C14 C23 -170.6(5) 4_575 . . . ?
C19 C15 C14 C23 -162.4(4) 4_575 . . 4_575 ?
C19 C15 C14 C14 -175.1(7) 4_575 . . 4_575 ?
C19 C15 C14 C22 10.3(4) 4_575 . . . ?
C19 C15 C14 C20 5.9(4) 4_575 . . 4_575 ?
C19 C23 C14 C15 -179.1(4) . . . . ?
C19 C23 C14 C18 -179.5(3) . . . 4_575 ?
C19 C23 C14 C19 35.1(17) . . . 4_575 ?
C19 C23 C14 C23 170.6 . . . 4_575 ?
C19 C23 C14 C14 -9.4 . . . 4_575 ?
C19 C23 C14 C22 0.0 . . . . ?
C19 C23 C14 C20 4.7 . . . 4_575 ?
C19 C14 C22 F10 -2.1(4) 4_575 . . 4_575 ?
C19 C14 C22 F12 11.5(4) 4_575 . . . ?
C19 C14 C22 C23 -137(2) 4_575 . . 4_575 ?
C19 C14 C22 C21 -167.2(6) 4_575 . . . ?
C19 C14 C22 C20 -31(2) 4_575 . . 4_575 ?
C19 C22 C21 F11 153.6(13) 4_575 . . . ?
C19 C22 C21 C22 -34.7(13) 4_575 . . 4_575 ?
C19 C22 C21 C20 136.1(13) 4_575 . . 4_575 ?
C19 C22 C21 C20 -30.3(13) 4_575 . . . ?
C23 C15 C16 F6 -178.1(5) 4_575 . . . ?
C23 C15 C16 F8 -165.4(8) 4_575 . . 4_575 ?
C23 C15 C16 C17 2.9(8) 4_575 . . . ?
C23 C15 C16 C18 -3.8(8) 4_575 . . 4_575 ?
C23 C15 C14 C18 -7.6(4) 4_575 . . 4_575 ?
C23 C15 C14 C19 162.4(4) 4_575 . . 4_575 ?
C23 C15 C14 C23 -8.2(3) 4_575 . . . ?
C23 C15 C14 C14 -12.7(5) 4_575 . . 4_575 ?
C23 C15 C14 C22 172.74(17) 4_575 . . . ?
C23 C15 C14 C20 168.27(15) 4_575 . . 4_575 ?
C23 C18 C23 C15 174.4(4) 4_575 . . 4_575 ?
C23 C18 C23 C18 0.00(15) 4_575 . . 4_575 ?
C23 C18 C23 C19 179.6(3) 4_575 . . . ?
C23 C18 C23 C14 4.47(12) 4_575 . . . ?
C23 C18 C23 C14 161.1(7) 4_575 . . 4_575 ?
C23 C18 C23 C22 167.1(7) 4_575 . . 4_575 ?
C23 C19 C20 F10 -179.5(4) . . . . ?
C23 C19 C20 F12 167.7(4) . . . 4_575 ?
C23 C19 C20 C14 4.66(6) . . . 4_575 ?
C23 C19 C20 C22 16.3(4) . . . 4_575 ?
C23 C19 C20 C21 0.0 . . . . ?
C23 C23 C14 C15 10.3(4) 4_575 . . . ?
C23 C23 C14 C18 9.9(3) 4_575 . . 4_575 ?
C23 C23 C14 C19 -135.6(17) 4_575 . . 4_575 ?
C23 C23 C14 C14 180.0 4_575 . . 4_575 ?
C23 C23 C14 C22 -170.6 4_575 . . . ?
C23 C23 C14 C20 -166.0 4_575 . . 4_575 ?
C23 C14 C22 F10 165.1(5) . . . 4_575 ?
C23 C14 C22 F10 135(2) 4_575 . . 4_575 ?
C23 C14 C22 F12 148(2) 4_575 . . . ?
C23 C14 C22 F12 178.7(4) . . . . ?
C23 C14 C22 C19 137(2) 4_575 . . 4_575 ?
C23 C14 C22 C19 167.2(6) . . . 4_575 ?
C23 C14 C22 C23 31(2) . . . 4_575 ?
C23 C14 C22 C21 0.0 . . . . ?
C23 C14 C22 C21 -31(2) 4_575 . . . ?
C23 C14 C22 C20 136(2) . . . 4_575 ?
C23 C14 C22 C20 105(2) 4_575 . . 4_575 ?
C23 C22 C21 F11 -178.0(3) 4_575 . . . ?
C23 C22 C21 C22 -6.3 4_575 . . 4_575 ?
C23 C22 C21 C20 164.47(11) 4_575 . . 4_575 ?
C23 C22 C21 C20 -1.9 4_575 . . . ?
C14 C15 C16 F6 177.9(5) . . . . ?
C14 C15 C16 F8 -169.4(8) . . . 4_575 ?
C14 C15 C16 C17 -1.1(9) . . . . ?
C14 C15 C16 C18 -7.8(10) . . . 4_575 ?
C14 C18 C23 C15 13.3(8) 4_575 . . 4_575 ?
C14 C18 C23 C18 -161.1(7) 4_575 . . 4_575 ?
C14 C18 C23 C19 18.5(6) 4_575 . . . ?
C14 C18 C23 C23 -161.1(7) 4_575 . . 4_575 ?
C14 C18 C23 C14 -156.6(8) 4_575 . . . ?
C14 C18 C23 C22 6.0(4) 4_575 . . 4_575 ?
C14 C19 C23 C15 -149.0(7) 4_575 . . 4_575 ?
C14 C19 C23 C18 -153.4(7) 4_575 . . . ?
C14 C19 C23 C23 26.0(6) 4_575 . . 4_575 ?
C14 C19 C23 C14 21.7(6) 4_575 . . . ?
C14 C19 C23 C22 15.7(5) 4_575 . . 4_575 ?
C14 C19 C20 F10 175.8(4) 4_575 . . . ?
C14 C19 C20 F12 163.1(4) 4_575 . . 4_575 ?
C14 C19 C20 C22 11.6(4) 4_575 . . 4_575 ?
C14 C19 C20 C21 -4.63(5) 4_575 . . . ?
C14 C23 C14 C15 -169.7(4) 4_575 . . . ?
C14 C23 C14 C18 -170.1(3) 4_575 . . 4_575 ?
C14 C23 C14 C19 44.4(17) 4_575 . . 4_575 ?
C14 C23 C14 C23 180.0 4_575 . . 4_575 ?
C14 C23 C14 C22 9.4 4_575 . . . ?
C14 C23 C14 C20 14.0 4_575 . . 4_575 ?
C14 C14 C22 F10 168.1(5) 4_575 . . 4_575 ?
C14 C14 C22 F12 -178.3(4) 4_575 . . . ?
C14 C14 C22 C19 170.1(6) 4_575 . . 4_575 ?
C14 C14 C22 C23 34(2) 4_575 . . 4_575 ?
C14 C14 C22 C21 2.9 4_575 . . . ?
C14 C14 C22 C20 139(2) 4_575 . . 4_575 ?
C14 C22 C21 F11 -176.1(3) . . . . ?
C14 C22 C21 C22 -4.3 . . . 4_575 ?
C14 C22 C21 C20 0.1 . . . . ?
C14 C22 C21 C20 166.45(11) . . . 4_575 ?
C22 F10 C20 F12 -10.4(12) 4_575 . . 4_575 ?
C22 F10 C20 C19 -27.2(11) 4_575 . . . ?
C22 F10 C20 C14 -23.3(9) 4_575 . . 4_575 ?
C22 F10 C20 C21 153.3(13) 4_575 . . . ?
C22 C19 C23 C15 -164.7(4) 4_575 . . 4_575 ?
C22 C19 C23 C18 -169.1(4) 4_575 . . . ?
C22 C19 C23 C23 10.33(6) 4_575 . . 4_575 ?
C22 C19 C23 C14 6.02(6) 4_575 . . . ?
C22 C19 C23 C14 -15.7(5) 4_575 . . 4_575 ?
C22 C19 C20 F10 164.2(6) 4_575 . . . ?
C22 C19 C20 F12 151.4(6) 4_575 . . 4_575 ?
C22 C19 C20 C14 -11.6(4) 4_575 . . 4_575 ?
C22 C19 C20 C21 -16.3(4) 4_575 . . . ?
C22 C23 C14 C15 -175.8(4) 4_575 . . . ?
C22 C23 C14 C18 -176.2(3) 4_575 . . 4_575 ?
C22 C23 C14 C19 38.3(17) 4_575 . . 4_575 ?
C22 C23 C14 C23 173.9 4_575 . . 4_575 ?
C22 C23 C14 C14 -6.1 4_575 . . 4_575 ?
C22 C23 C14 C22 3.3 4_575 . . . ?
C22 C23 C14 C20 7.9 4_575 . . 4_575 ?
C22 C21 C20 F10 179.5(4) . . . . ?
C22 C21 C20 F10 -169.9(4) 4_575 . . . ?
C22 C21 C20 F12 -128.4(12) 4_575 . . 4_575 ?
C22 C21 C20 F12 -139.1(12) . . . 4_575 ?
C22 C21 C20 C19 -0.1 . . . . ?
C22 C21 C20 C19 10.59(9) 4_575 . . . ?
C22 C21 C20 C14 -2.3 . . . 4_575 ?
C22 C21 C20 C14 8.37(8) 4_575 . . 4_575 ?
C22 C21 C20 C22 -10.66(9) . . . 4_575 ?
C20 F12 C22 F10 4.5(4) 4_575 . . 4_575 ?
C20 F12 C22 C19 -153.7(3) 4_575 . . 4_575 ?
C20 F12 C22 C23 -159.81(17) 4_575 . . 4_575 ?
C20 F12 C22 C14 -162.05(19) 4_575 . . . ?
C20 F12 C22 C21 16.7(5) 4_575 . . . ?
C20 C19 C23 C15 -170.7(4) . . . 4_575 ?
C20 C19 C23 C18 -175.2(4) . . . . ?
C20 C19 C23 C23 4.3 . . . 4_575 ?
C20 C19 C23 C14 -21.7(6) . . . 4_575 ?
C20 C19 C23 C14 0.0 . . . . ?
C20 C19 C23 C22 -6.02(6) . . . 4_575 ?
C20 C14 C22 F10 29(2) 4_575 . . 4_575 ?
C20 C14 C22 F12 43(2) 4_575 . . . ?
C20 C14 C22 C19 31(2) 4_575 . . 4_575 ?
C20 C14 C22 C23 -105(2) 4_575 . . 4_575 ?
C20 C14 C22 C21 -136(2) 4_575 . . . ?
C20 C22 C21 F11 17.5(4) 4_575 . . . ?
C20 C22 C21 C22 -170.73(11) 4_575 . . 4_575 ?
C20 C22 C21 C20 -166.38(11) 4_575 . . . ?
C20 C21 C20 F10 170.2(4) 4_575 . . . ?
C20 C21 C20 F12 -148.4(12) 4_575 . . 4_575 ?
C20 C21 C20 C19 -9.4 4_575 . . . ?
C20 C21 C20 C14 -11.6 4_575 . . 4_575 ?
C20 C21 C20 C22 -19.98(9) 4_575 . . 4_575 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2082587'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii) 1,2-diiodotetrafluorobenzene"
_chemical_formula_moiety         '2(C6 F4 I2), C12 H18 O12 Pd3'
_chemical_formula_sum            'C24 H18 F8 I4 O12 Pd3'
_chemical_formula_weight         1477.18
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   8.4878(3)
_cell_length_b                   10.1254(4)
_cell_length_c                   22.1613(8)
_cell_angle_alpha                84.6430(10)
_cell_angle_beta                 85.0080(10)
_cell_angle_gamma                77.8580(10)
_cell_volume                     1849.41(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9451
_cell_measurement_temperature    103.0
_cell_measurement_theta_max      34.91
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.509
_shelx_estimated_absorpt_T_min   0.353
_exptl_absorpt_coefficient_mu    4.876
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.5800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0822 before and 0.0610 after correction.
The Ratio of minimum to maximum transmission is 0.7765.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.653
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0139
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            176027
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.996
_diffrn_reflns_theta_min         2.063
_diffrn_ambient_temperature      103.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10216
_reflns_number_total             10751
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.579
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       0.00141(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         10751
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.138
_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)+(0.0179P)²+5.6167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0590
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 I3-C19A \\sim I3A-C20
 with sigma of 0.02
 I4-C20A \\sim I4A-C19
 with sigma of 0.02
 C22A-F5A \\sim C23-F8
 with sigma of 0.04
 C21A-F6A \\sim C24-F7
 with sigma of 0.04
 C20A-F5A \\sim C19-F8
 with sigma of 0.04
 C23A-C22A \\sim C22-C23
 with sigma of 0.02
 C23A-C24A \\sim C22-C21
 with sigma of 0.02
 C24A-F7A \\sim C21-F6
 with sigma of 0.04
 C23A-F7A \\sim C22-F6
 with sigma of 0.02
 C22A-C20A \\sim C23-C19
 with sigma of 0.04
 C22A-C21A \\sim C23-C24
 with sigma of 0.02
 C22A-F6A \\sim C23-F7
 with sigma of 0.02
 C21A-C20A \\sim C24-C19
 with sigma of 0.02
 C19A-F8A \\sim C20-F5
 with sigma of 0.04
 C21A-F5A \\sim C24-F8
 with sigma of 0.02
 C20A-C19A \\sim C19-C20
 with sigma of 0.02
 C19A-C24A \\sim C20-C21
 with sigma of 0.02
 C22A-C24A \\sim C23-C21
 with sigma of 0.04
 C22A-F7A \\sim C23-F6
 with sigma of 0.04
 C24A-F8A \\sim C21-F5
 with sigma of 0.02
 C21A-C19A \\sim C24-C20
 with sigma of 0.04
 C20A-C24A \\sim C19-C21
 with sigma of 0.04
 I3-C20A \\sim I3A-C19
 with sigma of 0.04
 I3-C24A \\sim I3A-C21
 with sigma of 0.04
 I4-C21A \\sim I4A-C24
 with sigma of 0.04
 I4-C19A \\sim I4A-C20
 with sigma of 0.04
 C23A-C21A \\sim C22-C24
 with sigma of 0.04
 C23A-C19A \\sim C22-C20
 with sigma of 0.04
 C23A-F6A \\sim C22-F7
 with sigma of 0.04
 C23A-F8A \\sim C22-F5
 with sigma of 0.04
3. Rigid bond restraints
 I3, I4, F5A, F6A, F7A, F8A, C19A, C20A, C21A, C22A, C23A, C24A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 I3A, I4A, F5, F6, F7, F8, C19, C20, C21, C22, C23, C24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F6) = Uanis(F6A)
5. Others
 Sof(I3A)=Sof(I4A)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(C19)=Sof(C20)=Sof(C21)=
 Sof(C22)=Sof(C23)=Sof(C24)=1-FVAR(1)
 Sof(I3)=Sof(I4)=Sof(F5A)=Sof(F6A)=Sof(F7A)=Sof(F8A)=Sof(C19A)=Sof(C20A)=
 Sof(C21A)=Sof(C22A)=Sof(C23A)=Sof(C24A)=FVAR(1)
6.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C10(H10A,
 H10B,H10C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
I001 I 0.43172(2) 0.63604(2) 0.63160(2) 0.02118(5) Uani 1 1 d . . . . .
I002 I 0.78184(2) 0.34813(2) 0.61215(2) 0.02248(5) Uani 1 1 d . . . . .
F1 F 0.1598(2) 0.5713(2) 0.56090(9) 0.0283(4) Uani 1 1 d . . . . .
F2 F 0.1339(2) 0.3593(2) 0.50042(9) 0.0320(4) Uani 1 1 d . . . . .
F3 F 0.3859(3) 0.14711(19) 0.48950(9) 0.0291(4) Uani 1 1 d . . . . .
F4 F 0.6631(2) 0.14534(19) 0.53849(9) 0.0274(4) Uani 1 1 d . . . . .
C13 C 0.5593(3) 0.3601(3) 0.57693(12) 0.0175(5) Uani 1 1 d . . . . .
C14 C 0.4287(3) 0.4699(3) 0.58296(12) 0.0173(5) Uani 1 1 d . . . . .
C15 C 0.2872(3) 0.4683(3) 0.55619(13) 0.0198(5) Uani 1 1 d . . . . .
C16 C 0.2719(4) 0.3604(3) 0.52473(13) 0.0225(5) Uani 1 1 d . . . . .
C17 C 0.3995(4) 0.2522(3) 0.51921(13) 0.0213(5) Uani 1 1 d . . . . .
C18 C 0.5418(3) 0.2528(3) 0.54504(13) 0.0200(5) Uani 1 1 d . . . . .
Pd1 Pd 0.23240(2) -0.05762(2) 0.74973(2) 0.01764(5) Uani 1 1 d . . . . .
Pd2 Pd 0.30158(2) 0.21173(2) 0.68195(2) 0.01443(5) Uani 1 1 d . . . . .
Pd3 Pd 0.16083(3) 0.21622(2) 0.81496(2) 0.01749(5) Uani 1 1 d . . . . .
O1 O 0.1148(3) -0.0490(2) 0.67516(10) 0.0259(4) Uani 1 1 d . . . . .
O2 O 0.2107(3) 0.1197(2) 0.62102(9) 0.0226(4) Uani 1 1 d . . . . .
O3 O 0.4450(3) -0.1155(2) 0.70265(11) 0.0240(4) Uani 1 1 d . . . . .
O4 O 0.5154(2) 0.0849(2) 0.67615(11) 0.0244(4) Uani 1 1 d . . . . .
O5 O 0.1066(2) 0.3617(2) 0.67510(9) 0.0208(4) Uani 1 1 d . . . . .
O6 O 0.0614(3) 0.3959(2) 0.77458(10) 0.0234(4) Uani 1 1 d . . . . .
O7 O 0.4175(3) 0.3294(2) 0.72137(9) 0.0201(4) Uani 1 1 d . . . . .
O8 O 0.3670(3) 0.2778(2) 0.82116(10) 0.0246(4) Uani 1 1 d . . . . .
O9 O -0.0574(3) 0.1686(2) 0.82056(12) 0.0289(5) Uani 1 1 d . . . . .
O10 O 0.0174(3) -0.0479(2) 0.79621(11) 0.0267(4) Uani 1 1 d . . . . .
O11 O 0.2401(3) 0.0687(2) 0.87838(10) 0.0293(5) Uani 1 1 d . . . . .
O12 O 0.3564(3) -0.1070(2) 0.82438(10) 0.0270(4) Uani 1 1 d . . . . .
C1 C 0.1380(3) 0.0221(3) 0.62703(13) 0.0197(5) Uani 1 1 d . . . . .
C2 C 0.0723(4) -0.0100(3) 0.57040(15) 0.0261(6) Uani 1 1 d . . . . .
H2A H 0.065335 -0.105839 0.573614 0.039 Uiso 1 1 calc GR . . . .
H2B H 0.144351 0.008399 0.535020 0.039 Uiso 1 1 calc GR . . . .
H2C H -0.035480 0.046441 0.565687 0.039 Uiso 1 1 calc GR . . . .
C3 C 0.5429(3) -0.0417(3) 0.68164(14) 0.0205(5) Uani 1 1 d . . . . .
C4 C 0.7110(4) -0.1136(3) 0.66049(19) 0.0333(7) Uani 1 1 d . . . . .
H4A H 0.716544 -0.211645 0.664033 0.050 Uiso 1 1 calc GR . . . .
H4B H 0.790112 -0.092274 0.685756 0.050 Uiso 1 1 calc GR . . . .
H4C H 0.734940 -0.083406 0.618007 0.050 Uiso 1 1 calc GR . . . .
C5 C 0.0471(3) 0.4318(3) 0.71924(14) 0.0204(5) Uani 1 1 d . . . . .
C6 C -0.0486(4) 0.5724(3) 0.70395(15) 0.0283(6) Uani 1 1 d . . . . .
H6A H 0.011938 0.639429 0.713463 0.042 Uiso 1 1 calc GR . . . .
H6B H -0.152558 0.585444 0.727881 0.042 Uiso 1 1 calc GR . . . .
H6C H -0.067213 0.583830 0.660580 0.042 Uiso 1 1 calc GR . . . .
C7 C 0.4404(3) 0.3315(3) 0.77657(13) 0.0206(5) Uani 1 1 d . . . . .
C8 C 0.5686(4) 0.4043(4) 0.79051(16) 0.0316(7) Uani 1 1 d . . . . .
H8A H 0.673827 0.358607 0.773066 0.047 Uiso 1 1 calc GR . . . .
H8B H 0.572026 0.403579 0.834636 0.047 Uiso 1 1 calc GR . . . .
H8C H 0.543620 0.498166 0.772930 0.047 Uiso 1 1 calc GR . . . .
C9 C -0.0825(4) 0.0518(3) 0.81574(16) 0.0279(6) Uani 1 1 d . . . . .
C10 C -0.2500(5) 0.0291(5) 0.8351(3) 0.0536(13) Uani 1 1 d . . . . .
H10A H -0.307307 0.101826 0.859949 0.080 Uiso 1 1 calc GR . . . .
H10B H -0.242626 -0.058301 0.858903 0.080 Uiso 1 1 calc GR . . . .
H10C H -0.309133 0.028962 0.799038 0.080 Uiso 1 1 calc GR . . . .
C11 C 0.3284(4) -0.0452(3) 0.87211(14) 0.0248(6) Uani 1 1 d . . . . .
C12 C 0.4101(5) -0.1160(4) 0.92773(18) 0.0409(9) Uani 1 1 d . . . . .
H12A H 0.496824 -0.071173 0.935931 0.061 Uiso 1 1 calc GR . . . .
H12B H 0.455581 -0.210940 0.920536 0.061 Uiso 1 1 calc GR . . . .
H12C H 0.330764 -0.111769 0.962745 0.061 Uiso 1 1 calc GR . . . .
I3 I 0.07108(6) 0.67220(4) 0.86519(2) 0.03276(12) Uani 0.5417(7) 1 d D U P A 1
I4 I 0.38342(5) 0.45232(7) 0.95774(2) 0.03992(13) Uani 0.5417(7) 1 d D U P A 1
F5A F 0.2415(9) 0.2006(7) 1.0070(4) 0.0441(15) Uani 0.5417(7) 1 d D U P A 1
F6A F -0.038(6) 0.130(5) 0.998(4) 0.0497(18) Uani 0.5417(7) 1 d D U P A 1
F7A F -0.2682(6) 0.2904(5) 0.9307(2) 0.0391(11) Uani 0.5417(7) 1 d D U P A 1
F8A F -0.2188(5) 0.5233(4) 0.8760(2) 0.0367(9) Uani 0.5417(7) 1 d D U P A 1
C19A C 0.0442(10) 0.4881(6) 0.9119(3) 0.0225(11) Uani 0.5417(7) 1 d D U P A 1
C20A C 0.1626(9) 0.4067(8) 0.9461(3) 0.0261(13) Uani 0.5417(7) 1 d D U P A 1
C21A C 0.1309(11) 0.2835(11) 0.9741(7) 0.031(2) Uani 0.5417(7) 1 d D U P A 1
C22A C -0.0087(16) 0.2449(15) 0.9677(8) 0.028(2) Uani 0.5417(7) 1 d D U P A 1
C23A C -0.1273(11) 0.3281(9) 0.9356(4) 0.0264(16) Uani 0.5417(7) 1 d D U P A 1
C24A C -0.0996(9) 0.4486(7) 0.9073(3) 0.0241(12) Uani 0.5417(7) 1 d D U P A 1
I3A I -0.22081(6) 0.60883(6) 0.87813(2) 0.03145(13) Uani 0.4583(7) 1 d D U P A
2
I4A I 0.20343(7) 0.64048(5) 0.87437(2) 0.03607(14) Uani 0.4583(7) 1 d D U P A 2
F5 F -0.2372(7) 0.3286(6) 0.9463(3) 0.0410(13) Uani 0.4583(7) 1 d D U P A 2
F6 F -0.023(7) 0.133(6) 0.998(5) 0.0497(18) Uani 0.4583(7) 1 d D U P A 2
F7 F 0.2895(12) 0.1594(9) 1.0016(5) 0.052(2) Uani 0.4583(7) 1 d D U P A 2
F8 F 0.3799(6) 0.3754(5) 0.9500(3) 0.0417(13) Uani 0.4583(7) 1 d D U P A 2
C19 C 0.1192(10) 0.4752(8) 0.9178(3) 0.0228(14) Uani 0.4583(7) 1 d D U P A 2
C20 C -0.0411(11) 0.4623(7) 0.9176(3) 0.0225(14) Uani 0.4583(7) 1 d D U P A 2
C21 C -0.0848(13) 0.3466(11) 0.9457(5) 0.031(2) Uani 0.4583(7) 1 d D U P A 2
C22 C 0.023(2) 0.2489(19) 0.9766(11) 0.034(3) Uani 0.4583(7) 1 d D U P A 2
C23 C 0.1812(14) 0.2592(13) 0.9747(7) 0.032(2) Uani 0.4583(7) 1 d D U P A 2
C24 C 0.2273(10) 0.3717(9) 0.9476(4) 0.0295(16) Uani 0.4583(7) 1 d D U P A 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
I001 C14 2.087(3) . ?
I002 C13 2.082(3) . ?
F1 C15 1.339(3) . ?
F2 C16 1.334(3) . ?
F3 C17 1.332(3) . ?
F4 C18 1.341(3) . ?
C13 C14 1.402(4) . ?
C13 C18 1.390(4) . ?
C14 C15 1.389(4) . ?
C15 C16 1.384(4) . ?
C16 C17 1.375(4) . ?
C17 C18 1.382(4) . ?
Pd1 Pd2 3.1296(3) . ?
Pd1 Pd3 3.1677(3) . ?
Pd1 O1 1.989(2) . ?
Pd1 O3 2.007(2) . ?
Pd1 O10 2.004(2) . ?
Pd1 O12 2.005(2) . ?
Pd2 Pd3 3.0834(3) . ?
Pd2 O2 2.001(2) . ?
Pd2 O4 1.992(2) . ?
Pd2 O5 2.003(2) . ?
Pd2 O7 1.997(2) . ?
Pd3 O6 2.001(2) . ?
Pd3 O8 1.997(2) . ?
Pd3 O9 2.001(2) . ?
Pd3 O11 2.003(2) . ?
O1 C1 1.255(4) . ?
O2 C1 1.262(4) . ?
O3 C3 1.264(4) . ?
O4 C3 1.250(3) . ?
O5 C5 1.268(4) . ?
O6 C5 1.255(4) . ?
O7 C7 1.258(3) . ?
O8 C7 1.263(4) . ?
O9 C9 1.261(4) . ?
O10 C9 1.259(4) . ?
O11 C11 1.248(4) . ?
O12 C11 1.259(4) . ?
C1 C2 1.506(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.515(4) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.508(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.504(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.507(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.513(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
I3 C19A 2.092(6) . ?
I4 C20A 2.065(7) . ?
F5A C21A 1.337(10) . ?
F6A C22A 1.344(16) . ?
F7A C23A 1.345(9) . ?
F8A C24A 1.333(8) . ?
C19A C20A 1.389(9) . ?
C19A C24A 1.377(9) . ?
C20A C21A 1.408(12) . ?
C21A C22A 1.345(13) . ?
C22A C23A 1.373(12) . ?
C23A C24A 1.375(10) . ?
I3A C20 2.081(8) . ?
I4A C19 2.078(8) . ?
F5 C21 1.343(10) . ?
F6 C22 1.347(17) . ?
F7 C23 1.347(11) . ?
F8 C24 1.309(9) . ?
C19 C20 1.394(10) . ?
C19 C24 1.396(10) . ?
C20 C21 1.379(11) . ?
C21 C22 1.372(15) . ?
C22 C23 1.369(15) . ?
C23 C24 1.353(15) . ?

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
C14 C13 I002 123.9(2) . . ?
C18 C13 I002 117.3(2) . . ?
C18 C13 C14 118.8(3) . . ?
C13 C14 I001 123.8(2) . . ?
C15 C14 I001 117.3(2) . . ?
C15 C14 C13 118.8(3) . . ?
F1 C15 C14 120.6(3) . . ?
F1 C15 C16 117.9(3) . . ?
C16 C15 C14 121.5(3) . . ?
F2 C16 C15 120.7(3) . . ?
F2 C16 C17 119.6(3) . . ?
C17 C16 C15 119.7(3) . . ?
F3 C17 C16 120.3(3) . . ?
F3 C17 C18 120.2(3) . . ?
C16 C17 C18 119.5(3) . . ?
F4 C18 C13 120.9(3) . . ?
F4 C18 C17 117.5(3) . . ?
C17 C18 C13 121.6(3) . . ?
Pd2 Pd1 Pd3 58.631(7) . . ?
O1 Pd1 Pd2 79.01(6) . . ?
O1 Pd1 Pd3 114.24(7) . . ?
O1 Pd1 O3 90.84(10) . . ?
O1 Pd1 O10 86.57(10) . . ?
O1 Pd1 O12 168.39(9) . . ?
O3 Pd1 Pd2 76.03(6) . . ?
O3 Pd1 Pd3 119.91(6) . . ?
O10 Pd1 Pd2 116.98(7) . . ?
O10 Pd1 Pd3 73.63(7) . . ?
O10 Pd1 O3 165.85(9) . . ?
O10 Pd1 O12 93.60(10) . . ?
O12 Pd1 Pd2 111.02(7) . . ?
O12 Pd1 Pd3 76.81(7) . . ?
O12 Pd1 O3 86.17(10) . . ?
Pd3 Pd2 Pd1 61.302(7) . . ?
O2 Pd2 Pd1 74.20(6) . . ?
O2 Pd2 Pd3 121.17(6) . . ?
O2 Pd2 O5 87.57(9) . . ?
O4 Pd2 Pd1 76.49(6) . . ?
O4 Pd2 Pd3 110.39(7) . . ?
O4 Pd2 O2 93.00(9) . . ?
O4 Pd2 O5 168.69(9) . . ?
O4 Pd2 O7 85.09(9) . . ?
O5 Pd2 Pd1 114.44(6) . . ?
O5 Pd2 Pd3 78.70(6) . . ?
O7 Pd2 Pd1 120.78(6) . . ?
O7 Pd2 Pd3 74.39(6) . . ?
O7 Pd2 O2 163.68(9) . . ?
O7 Pd2 O5 91.19(9) . . ?
Pd2 Pd3 Pd1 60.067(7) . . ?
O6 Pd3 Pd1 123.45(6) . . ?
O6 Pd3 Pd2 74.60(6) . . ?
O6 Pd3 O11 162.10(9) . . ?
O8 Pd3 Pd1 109.76(7) . . ?
O8 Pd3 Pd2 78.85(6) . . ?
O8 Pd3 O6 91.17(9) . . ?
O8 Pd3 O9 171.16(10) . . ?
O8 Pd3 O11 86.24(10) . . ?
O9 Pd3 Pd1 77.95(7) . . ?
O9 Pd3 Pd2 109.31(7) . . ?
O9 Pd3 O6 87.87(10) . . ?
O9 Pd3 O11 91.98(10) . . ?
O11 Pd3 Pd1 73.86(7) . . ?
O11 Pd3 Pd2 122.02(7) . . ?
C1 O1 Pd1 124.85(19) . . ?
C1 O2 Pd2 131.5(2) . . ?
C3 O3 Pd1 127.16(19) . . ?
C3 O4 Pd2 127.59(19) . . ?
C5 O5 Pd2 122.14(18) . . ?
C5 O6 Pd3 129.88(19) . . ?
C7 O7 Pd2 129.43(19) . . ?
C7 O8 Pd3 123.22(19) . . ?
C9 O9 Pd3 124.8(2) . . ?
C9 O10 Pd1 130.7(2) . . ?
C11 O11 Pd3 129.3(2) . . ?
C11 O12 Pd1 125.3(2) . . ?
O1 C1 O2 126.5(3) . . ?
O1 C1 C2 117.6(3) . . ?
O2 C1 C2 115.9(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 C4 116.8(3) . . ?
O4 C3 O3 126.8(3) . . ?
O4 C3 C4 116.4(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O5 C5 C6 117.1(3) . . ?
O6 C5 O5 126.3(3) . . ?
O6 C5 C6 116.6(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O7 C7 O8 126.3(3) . . ?
O7 C7 C8 116.6(3) . . ?
O8 C7 C8 117.1(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O9 C9 C10 116.7(3) . . ?
O10 C9 O9 126.9(3) . . ?
O10 C9 C10 116.4(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O11 C11 O12 126.8(3) . . ?
O11 C11 C12 116.5(3) . . ?
O12 C11 C12 116.7(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C20A C19A I3 123.4(6) . . ?
C24A C19A I3 116.5(5) . . ?
C24A C19A C20A 120.0(6) . . ?
C19A C20A I4 124.6(6) . . ?
C19A C20A C21A 117.8(7) . . ?
C21A C20A I4 117.6(6) . . ?
F5A C21A C20A 120.2(9) . . ?
F5A C21A C22A 118.5(9) . . ?
C22A C21A C20A 121.3(9) . . ?
F6A C22A C21A 119.4(18) . . ?
F6A C22A C23A 119.8(17) . . ?
C21A C22A C23A 120.5(10) . . ?
F7A C23A C22A 120.2(8) . . ?
F7A C23A C24A 120.2(7) . . ?
C22A C23A C24A 119.5(9) . . ?
F8A C24A C19A 122.9(6) . . ?
F8A C24A C23A 116.4(7) . . ?
C23A C24A C19A 120.7(6) . . ?
C20 C19 I4A 122.6(6) . . ?
C20 C19 C24 118.4(7) . . ?
C24 C19 I4A 119.0(6) . . ?
C19 C20 I3A 123.8(6) . . ?
C21 C20 I3A 117.6(7) . . ?
C21 C20 C19 118.6(8) . . ?
F5 C21 C20 121.0(9) . . ?
F5 C21 C22 117.2(9) . . ?
C22 C21 C20 121.7(10) . . ?
F6 C22 C21 118.9(19) . . ?
F6 C22 C23 120(2) . . ?
C23 C22 C21 119.4(13) . . ?
F7 C23 C22 119.8(12) . . ?
F7 C23 C24 120.4(10) . . ?
C24 C23 C22 119.8(12) . . ?
F8 C24 C19 122.5(8) . . ?
F8 C24 C23 115.7(8) . . ?
C23 C24 C19 121.8(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I001 C14 C15 F1 1.2(4) . . . . ?
I001 C14 C15 C16 -177.8(2) . . . . ?
I002 C13 C14 I001 -2.9(3) . . . . ?
I002 C13 C14 C15 178.4(2) . . . . ?
I002 C13 C18 F4 1.2(4) . . . . ?
I002 C13 C18 C17 -179.1(2) . . . . ?
F1 C15 C16 F2 -0.5(4) . . . . ?
F1 C15 C16 C17 -179.6(3) . . . . ?
F2 C16 C17 F3 0.3(4) . . . . ?
F2 C16 C17 C18 -179.3(3) . . . . ?
F3 C17 C18 F4 0.5(4) . . . . ?
F3 C17 C18 C13 -179.2(3) . . . . ?
C13 C14 C15 F1 -180.0(2) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C14 C13 C18 F4 -179.6(2) . . . . ?
C14 C13 C18 C17 0.1(4) . . . . ?
C14 C15 C16 F2 178.6(3) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 F3 179.4(3) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 F4 -179.9(3) . . . . ?
C16 C17 C18 C13 0.3(4) . . . . ?
C18 C13 C14 I001 178.0(2) . . . . ?
C18 C13 C14 C15 -0.8(4) . . . . ?
Pd1 O1 C1 O2 -16.2(4) . . . . ?
Pd1 O1 C1 C2 164.2(2) . . . . ?
Pd1 O3 C3 O4 -14.0(5) . . . . ?
Pd1 O3 C3 C4 166.4(2) . . . . ?
Pd1 O10 C9 O9 -14.6(6) . . . . ?
Pd1 O10 C9 C10 165.1(3) . . . . ?
Pd1 O12 C11 O11 -13.3(5) . . . . ?
Pd1 O12 C11 C12 166.7(2) . . . . ?
Pd2 O2 C1 O1 -5.5(5) . . . . ?
Pd2 O2 C1 C2 174.0(2) . . . . ?
Pd2 O4 C3 O3 -13.8(5) . . . . ?
Pd2 O4 C3 C4 165.8(2) . . . . ?
Pd2 O5 C5 O6 -24.3(4) . . . . ?
Pd2 O5 C5 C6 155.0(2) . . . . ?
Pd2 O7 C7 O8 -15.5(5) . . . . ?
Pd2 O7 C7 C8 164.0(2) . . . . ?
Pd3 O6 C5 O5 -6.3(5) . . . . ?
Pd3 O6 C5 C6 174.5(2) . . . . ?
Pd3 O8 C7 O7 -15.7(4) . . . . ?
Pd3 O8 C7 C8 164.9(2) . . . . ?
Pd3 O9 C9 O10 -13.7(5) . . . . ?
Pd3 O9 C9 C10 166.6(3) . . . . ?
Pd3 O11 C11 O12 -18.8(5) . . . . ?
Pd3 O11 C11 C12 161.2(3) . . . . ?
I3 C19A C20A I4 0.6(9) . . . . ?
I3 C19A C20A C21A -178.4(8) . . . . ?
I3 C19A C24A F8A -1.4(8) . . . . ?
I3 C19A C24A C23A 178.9(6) . . . . ?
I4 C20A C21A F5A 0.1(16) . . . . ?
I4 C20A C21A C22A -178.6(13) . . . . ?
F5A C21A C22A F6A 5(6) . . . . ?
F5A C21A C22A C23A 178.5(14) . . . . ?
F6A C22A C23A F7A -5(6) . . . . ?
F6A C22A C23A C24A 177(5) . . . . ?
F7A C23A C24A F8A 0.4(11) . . . . ?
F7A C23A C24A C19A -179.9(7) . . . . ?
C19A C20A C21A F5A 179.3(10) . . . . ?
C19A C20A C21A C22A 0.5(19) . . . . ?
C20A C19A C24A F8A 178.9(6) . . . . ?
C20A C19A C24A C23A -0.7(10) . . . . ?
C20A C21A C22A F6A -176(5) . . . . ?
C20A C21A C22A C23A -3(3) . . . . ?
C21A C22A C23A F7A -178.3(14) . . . . ?
C21A C22A C23A C24A 3(2) . . . . ?
C22A C23A C24A F8A 178.9(12) . . . . ?
C22A C23A C24A C19A -1.5(15) . . . . ?
C24A C19A C20A I4 -179.7(5) . . . . ?
C24A C19A C20A C21A 1.2(12) . . . . ?
I3A C20 C21 F5 1.2(14) . . . . ?
I3A C20 C21 C22 -175.4(15) . . . . ?
I4A C19 C20 I3A -3.0(9) . . . . ?
I4A C19 C20 C21 177.6(7) . . . . ?
I4A C19 C24 F8 0.8(11) . . . . ?
I4A C19 C24 C23 -177.5(10) . . . . ?
F5 C21 C22 F6 10(7) . . . . ?
F5 C21 C22 C23 176.7(17) . . . . ?
F6 C22 C23 F7 -9(7) . . . . ?
F6 C22 C23 C24 173(6) . . . . ?
F7 C23 C24 F8 -0.4(18) . . . . ?
F7 C23 C24 C19 178.1(11) . . . . ?
C19 C20 C21 F5 -179.3(8) . . . . ?
C19 C20 C21 C22 4(2) . . . . ?
C20 C19 C24 F8 180.0(7) . . . . ?
C20 C19 C24 C23 1.6(14) . . . . ?
C20 C21 C22 F6 -174(6) . . . . ?
C20 C21 C22 C23 -7(3) . . . . ?
C21 C22 C23 F7 -175.7(17) . . . . ?
C21 C22 C23 C24 6(3) . . . . ?
C22 C23 C24 F8 177.4(17) . . . . ?
C22 C23 C24 C19 -4(2) . . . . ?
C24 C19 C20 I3A 177.9(6) . . . . ?
C24 C19 C20 C21 -1.5(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2082584'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii) 4,4'-diiodo-octafluorodiphenyl"
_chemical_formula_moiety         '2(C12 F8 I2), 2(C12 H18 O12 Pd3), C H2 Cl2'
_chemical_formula_sum            'C49 H38 Cl2 F16 I4 O24 Pd6'
_chemical_formula_weight         2531.69
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   54.001(2)
_cell_length_b                   8.2670(4)
_cell_length_c                   15.6172(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.470(2)
_cell_angle_gamma                90
_cell_volume                     6912.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      29.11
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.817
_shelx_estimated_absorpt_T_min   0.699
_exptl_absorpt_coefficient_mu    3.508
_exptl_absorpt_correction_T_max  0.745830
_exptl_absorpt_correction_T_min  0.500139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 116671 reflections, Rint = 0.0560
 (47789 with I > 3sig(I), Rint = 0.0441)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.433
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4760
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       73
_diffrn_reflns_limit_h_min       -74
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12125
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.159
_diffrn_reflns_theta_min         2.282
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10746
_reflns_number_total             12125
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         12125
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0320
_refine_ls_restrained_S_all      1.112
_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)+(0.0265P)²+42.3195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0759
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6345(5)
 0.3655(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Others
 Fixed Sof: H25A(0.5) H25B(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B)
4.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C10(H10A,
 H10B,H10C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
I1 I 0.18017(2) 0.00497(5) 0.15238(3) 0.03930(10) Uani 1 1 d . . . . .
I2 I 0.33977(2) -0.05403(5) 0.69412(3) 0.03873(10) Uani 1 1 d . . . . .
F1 F 0.18735(6) 0.1556(4) 0.3405(2) 0.0396(9) Uani 1 1 d . . . . .
F2 F 0.22511(6) 0.1509(4) 0.4682(2) 0.0370(8) Uani 1 1 d . . . . .
F3 F 0.27389(6) -0.1409(4) 0.2921(2) 0.0304(7) Uani 1 1 d . . . . .
F4 F 0.23675(6) -0.1318(4) 0.1631(2) 0.0335(8) Uani 1 1 d . . . . .
F5 F 0.28213(7) -0.1422(4) 0.6784(2) 0.0377(8) Uani 1 1 d . . . . .
F6 F 0.24505(6) -0.1213(4) 0.5494(2) 0.0317(7) Uani 1 1 d . . . . .
F7 F 0.29975(6) 0.1156(4) 0.3739(2) 0.0314(7) Uani 1 1 d . . . . .
F8 F 0.33621(6) 0.1149(4) 0.5073(2) 0.0367(8) Uani 1 1 d . . . . .
C13 C 0.21063(11) 0.0103(7) 0.2477(4) 0.0285(12) Uani 1 1 d . . . . .
C14 C 0.20876(9) 0.0798(6) 0.3266(4) 0.0274(12) Uani 1 1 d . . . . .
C15 C 0.22802(10) 0.0777(7) 0.3928(4) 0.0259(11) Uani 1 1 d . . . . .
C16 C 0.25069(10) 0.0034(6) 0.3850(3) 0.0233(10) Uani 1 1 d . . . . .
C17 C 0.25274(9) -0.0644(6) 0.3046(3) 0.0239(11) Uani 1 1 d . . . . .
C18 C 0.23353(10) -0.0600(7) 0.2379(4) 0.0254(11) Uani 1 1 d . . . . .
C19 C 0.31044(11) -0.0214(7) 0.5954(4) 0.0277(11) Uani 1 1 d . . . . .
C20 C 0.28679(11) -0.0750(7) 0.6040(3) 0.0274(12) Uani 1 1 d . . . . .
C21 C 0.26763(10) -0.0652(7) 0.5371(4) 0.0265(11) Uani 1 1 d . . . . .
C22 C 0.27125(10) -0.0036(6) 0.4573(3) 0.0233(10) Uani 1 1 d . . . . .
C23 C 0.29522(10) 0.0530(7) 0.4494(3) 0.0251(11) Uani 1 1 d . . . . .
C24 C 0.31401(9) 0.0479(7) 0.5176(4) 0.0273(11) Uani 1 1 d . . . . .
Pd1 Pd 0.38947(2) 0.34991(5) 0.35491(3) 0.01977(8) Uani 1 1 d . . . . .
Pd2 Pd 0.41950(2) 0.20644(5) 0.52097(3) 0.02317(8) Uani 1 1 d . . . . .
Pd3 Pd 0.44887(2) 0.36014(5) 0.37887(3) 0.02040(8) Uani 1 1 d . . . . .
O1 O 0.37537(7) 0.1256(4) 0.3574(3) 0.0288(8) Uani 1 1 d . . . . .
O2 O 0.39112(8) 0.0529(5) 0.4907(3) 0.0364(10) Uani 1 1 d . . . . .
O3 O 0.37152(7) 0.4262(5) 0.4530(2) 0.0292(9) Uani 1 1 d . . . . .
O4 O 0.39731(8) 0.3615(5) 0.5723(3) 0.0362(10) Uani 1 1 d . . . . .
O5 O 0.44061(8) 0.0257(5) 0.4881(3) 0.0348(10) Uani 1 1 d . . . . .
O6 O 0.46712(7) 0.1540(5) 0.4125(3) 0.0315(9) Uani 1 1 d . . . . .
O7 O 0.44795(8) 0.3270(5) 0.5860(2) 0.0365(10) Uani 1 1 d . . . . .
O8 O 0.46412(8) 0.4711(5) 0.4858(3) 0.0340(10) Uani 1 1 d . . . . .
O9 O 0.44054(7) 0.2633(5) 0.2622(2) 0.0333(9) Uani 1 1 d . . . . .
O10 O 0.39880(7) 0.2883(5) 0.2408(2) 0.0311(9) Uani 1 1 d . . . . .
O11 O 0.43849(7) 0.5776(5) 0.3313(3) 0.0329(9) Uani 1 1 d . . . . .
O12 O 0.39716(8) 0.5814(5) 0.3332(3) 0.0340(10) Uani 1 1 d . . . . .
C1 C 0.37762(10) 0.0306(7) 0.4204(4) 0.0266(12) Uani 1 1 d . . . . .
C2 C 0.36222(12) -0.1221(7) 0.4123(4) 0.0353(14) Uani 1 1 d . . . . .
H2A H 0.345629 -0.098502 0.381498 0.053 Uiso 1 1 calc GR . . . .
H2B H 0.360534 -0.163746 0.470031 0.053 Uiso 1 1 calc GR . . . .
H2C H 0.370493 -0.203313 0.380189 0.053 Uiso 1 1 calc GR . . . .
C3 C 0.37781(10) 0.4228(7) 0.5331(4) 0.0263(11) Uani 1 1 d . . . . .
C4 C 0.36035(11) 0.5028(9) 0.5878(4) 0.0406(15) Uani 1 1 d . . . . .
H4A H 0.345457 0.541026 0.550711 0.061 Uiso 1 1 calc GR . . . .
H4B H 0.368799 0.594813 0.618525 0.061 Uiso 1 1 calc GR . . . .
H4C H 0.355431 0.424716 0.629630 0.061 Uiso 1 1 calc GR . . . .
C5 C 0.45964(10) 0.0318(7) 0.4497(3) 0.0264(12) Uani 1 1 d . . . . .
C6 C 0.47449(12) -0.1223(7) 0.4487(4) 0.0365(14) Uani 1 1 d . . . . .
H6A H 0.488884 -0.104115 0.417623 0.055 Uiso 1 1 calc GR . . . .
H6B H 0.463915 -0.207496 0.419725 0.055 Uiso 1 1 calc GR . . . .
H6C H 0.480347 -0.155457 0.508154 0.055 Uiso 1 1 calc GR . . . .
C7 C 0.46274(10) 0.4291(7) 0.5627(4) 0.0292(12) Uani 1 1 d . . . . .
C8 C 0.48088(13) 0.5097(9) 0.6325(4) 0.0451(17) Uani 1 1 d . . . . .
H8A H 0.496871 0.451999 0.638509 0.068 Uiso 1 1 calc GR . . . .
H8B H 0.473979 0.506488 0.687457 0.068 Uiso 1 1 calc GR . . . .
H8C H 0.483482 0.622380 0.616393 0.068 Uiso 1 1 calc GR . . . .
C9 C 0.41954(11) 0.2591(6) 0.2165(3) 0.0253(10) Uani 1 1 d . . . . .
C10 C 0.41958(13) 0.2181(9) 0.1227(3) 0.0432(16) Uani 1 1 d . . . . .
H10A H 0.419446 0.318106 0.088917 0.065 Uiso 1 1 calc GR . . . .
H10B H 0.404719 0.153949 0.102307 0.065 Uiso 1 1 calc GR . . . .
H10C H 0.434607 0.155593 0.115688 0.065 Uiso 1 1 calc GR . . . .
C11 C 0.41740(11) 0.6412(6) 0.3181(3) 0.0252(11) Uani 1 1 d . . . . .
C12 C 0.41633(11) 0.8115(7) 0.2804(4) 0.0333(13) Uani 1 1 d . . . . .
H12A H 0.411799 0.888310 0.323562 0.050 Uiso 1 1 calc GR . . . .
H12B H 0.403782 0.815329 0.229113 0.050 Uiso 1 1 calc GR . . . .
H12C H 0.432707 0.840294 0.264287 0.050 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.47717(4) 0.0455(3) 0.69076(13) 0.0644(6) Uani 1 1 d . . . . .
C25 C 0.500000 -0.0715(12) 0.750000 0.043(2) Uani 1 2 d S T P . .
H25A H 0.492073 -0.142023 0.789874 0.052 Uiso 0.5 1 calc R . . . .
H25B H 0.507928 -0.142010 0.710122 0.052 Uiso 0.5 1 calc R . . . .


_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
I1 C13 2.071(5) . ?
I2 C19 2.079(5) . ?
F1 C14 1.357(6) . ?
F2 C15 1.351(6) . ?
F3 C17 1.342(6) . ?
F4 C18 1.341(6) . ?
F5 C20 1.341(6) . ?
F6 C21 1.342(6) . ?
F7 C23 1.339(6) . ?
F8 C24 1.349(6) . ?
C13 C14 1.375(8) . ?
C13 C18 1.393(8) . ?
C14 C15 1.369(8) . ?
C15 C16 1.390(7) . ?
C16 C17 1.392(7) . ?
C16 C22 1.478(7) . ?
C17 C18 1.372(7) . ?
C19 C20 1.375(8) . ?
C19 C24 1.379(8) . ?
C20 C21 1.374(8) . ?
C21 C22 1.384(7) . ?
C22 C23 1.397(7) . ?
C23 C24 1.373(8) . ?
Pd1 Pd2 3.1095(5) . ?
Pd1 Pd3 3.1823(5) . ?
Pd1 O1 2.007(4) . ?
Pd1 O3 2.017(4) . ?
Pd1 O10 1.981(4) . ?
Pd1 O12 1.997(4) . ?
Pd2 Pd3 3.1576(6) . ?
Pd2 O2 1.998(4) . ?
Pd2 O4 1.993(4) . ?
Pd2 O5 1.987(4) . ?
Pd2 O7 1.994(4) . ?
Pd3 O6 2.004(4) . ?
Pd3 O8 1.987(4) . ?
Pd3 O9 1.988(4) . ?
Pd3 O11 1.997(4) . ?
O1 C1 1.252(6) . ?
O2 C1 1.250(7) . ?
O3 C3 1.253(7) . ?
O4 C3 1.255(7) . ?
O5 C5 1.256(7) . ?
O6 C5 1.259(7) . ?
O7 C7 1.248(7) . ?
O8 C7 1.262(7) . ?
O9 C9 1.259(6) . ?
O10 C9 1.252(7) . ?
O11 C11 1.247(7) . ?
O12 C11 1.250(7) . ?
C1 C2 1.508(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.505(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.506(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.521(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.504(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.524(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Cl1 C25 1.737(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?

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
C14 C13 I1 120.6(4) . . ?
C14 C13 C18 116.3(5) . . ?
C18 C13 I1 123.1(4) . . ?
F1 C14 C13 120.0(5) . . ?
F1 C14 C15 117.6(5) . . ?
C15 C14 C13 122.4(5) . . ?
F2 C15 C14 119.4(5) . . ?
F2 C15 C16 118.6(5) . . ?
C14 C15 C16 122.0(5) . . ?
C15 C16 C17 115.6(5) . . ?
C15 C16 C22 122.2(5) . . ?
C17 C16 C22 122.2(5) . . ?
F3 C17 C16 119.3(5) . . ?
F3 C17 C18 118.4(5) . . ?
C18 C17 C16 122.3(5) . . ?
F4 C18 C13 119.9(5) . . ?
F4 C18 C17 118.6(5) . . ?
C17 C18 C13 121.4(5) . . ?
C20 C19 I2 120.9(4) . . ?
C20 C19 C24 117.3(5) . . ?
C24 C19 I2 121.8(4) . . ?
F5 C20 C19 120.0(5) . . ?
F5 C20 C21 118.4(5) . . ?
C21 C20 C19 121.6(5) . . ?
F6 C21 C20 118.6(5) . . ?
F6 C21 C22 119.6(5) . . ?
C20 C21 C22 121.8(5) . . ?
C21 C22 C16 121.5(5) . . ?
C21 C22 C23 116.3(5) . . ?
C23 C22 C16 122.2(5) . . ?
F7 C23 C22 119.0(5) . . ?
F7 C23 C24 119.6(5) . . ?
C24 C23 C22 121.4(5) . . ?
F8 C24 C19 120.3(5) . . ?
F8 C24 C23 118.2(5) . . ?
C23 C24 C19 121.5(5) . . ?
Pd2 Pd1 Pd3 60.233(13) . . ?
O1 Pd1 Pd2 77.85(11) . . ?
O1 Pd1 Pd3 113.67(11) . . ?
O1 Pd1 O3 93.04(17) . . ?
O3 Pd1 Pd2 74.68(11) . . ?
O3 Pd1 Pd3 118.61(11) . . ?
O10 Pd1 Pd2 119.08(12) . . ?
O10 Pd1 Pd3 75.05(11) . . ?
O10 Pd1 O1 85.49(17) . . ?
O10 Pd1 O3 165.30(16) . . ?
O10 Pd1 O12 90.62(18) . . ?
O12 Pd1 Pd2 114.18(13) . . ?
O12 Pd1 Pd3 76.44(12) . . ?
O12 Pd1 O1 167.63(17) . . ?
O12 Pd1 O3 87.74(18) . . ?
Pd1 Pd2 Pd3 61.025(12) . . ?
O2 Pd2 Pd1 75.19(12) . . ?
O2 Pd2 Pd3 121.96(13) . . ?
O4 Pd2 Pd1 79.32(12) . . ?
O4 Pd2 Pd3 114.03(13) . . ?
O4 Pd2 O2 91.20(19) . . ?
O4 Pd2 O7 86.40(18) . . ?
O5 Pd2 Pd1 109.04(12) . . ?
O5 Pd2 Pd3 76.33(12) . . ?
O5 Pd2 O2 84.82(19) . . ?
O5 Pd2 O4 169.35(17) . . ?
O5 Pd2 O7 94.43(19) . . ?
O7 Pd2 Pd1 121.16(12) . . ?
O7 Pd2 Pd3 74.48(12) . . ?
O7 Pd2 O2 162.52(17) . . ?
Pd2 Pd3 Pd1 58.741(13) . . ?
O6 Pd3 Pd1 117.53(11) . . ?
O6 Pd3 Pd2 75.45(12) . . ?
O8 Pd3 Pd1 114.34(13) . . ?
O8 Pd3 Pd2 77.67(12) . . ?
O8 Pd3 O6 92.10(18) . . ?
O8 Pd3 O9 167.37(17) . . ?
O8 Pd3 O11 87.86(18) . . ?
O9 Pd3 Pd1 77.10(12) . . ?
O9 Pd3 Pd2 114.06(12) . . ?
O9 Pd3 O6 86.71(17) . . ?
O9 Pd3 O11 90.13(18) . . ?
O11 Pd3 Pd1 75.53(11) . . ?
O11 Pd3 Pd2 118.76(12) . . ?
O11 Pd3 O6 165.34(17) . . ?
C1 O1 Pd1 126.6(4) . . ?
C1 O2 Pd2 130.0(4) . . ?
C3 O3 Pd1 131.0(4) . . ?
C3 O4 Pd2 125.0(4) . . ?
C5 O5 Pd2 128.7(4) . . ?
C5 O6 Pd3 128.8(4) . . ?
C7 O7 Pd2 132.0(4) . . ?
C7 O8 Pd3 127.1(4) . . ?
C9 O9 Pd3 127.7(4) . . ?
C9 O10 Pd1 131.7(3) . . ?
C11 O11 Pd3 130.4(4) . . ?
C11 O12 Pd1 128.1(4) . . ?
O1 C1 C2 117.6(5) . . ?
O2 C1 O1 125.7(5) . . ?
O2 C1 C2 116.7(5) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O4 126.7(5) . . ?
O3 C3 C4 116.6(5) . . ?
O4 C3 C4 116.6(5) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O5 C5 O6 125.8(5) . . ?
O5 C5 C6 116.2(5) . . ?
O6 C5 C6 118.1(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O7 C7 O8 125.7(5) . . ?
O7 C7 C8 117.7(5) . . ?
O8 C7 C8 116.7(5) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O9 C9 C10 116.3(5) . . ?
O10 C9 O9 126.7(5) . . ?
O10 C9 C10 117.0(5) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O11 C11 O12 127.2(5) . . ?
O11 C11 C12 116.2(5) . . ?
O12 C11 C12 116.6(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Cl1 C25 Cl1 112.3(6) 2_656 . ?
Cl1 C25 H25A 109.1 2_656 . ?
Cl1 C25 H25A 109.1 . . ?
Cl1 C25 H25B 109.1 . . ?
Cl1 C25 H25B 109.1 2_656 . ?
H25A C25 H25B 107.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I1 C13 C14 F1 -4.6(7) . . . . ?
I1 C13 C14 C15 176.3(4) . . . . ?
I1 C13 C18 F4 1.7(7) . . . . ?
I1 C13 C18 C17 -175.2(4) . . . . ?
I2 C19 C20 F5 3.3(7) . . . . ?
I2 C19 C20 C21 -175.1(4) . . . . ?
I2 C19 C24 F8 -8.2(7) . . . . ?
I2 C19 C24 C23 172.7(4) . . . . ?
F1 C14 C15 F2 -0.4(8) . . . . ?
F1 C14 C15 C16 -179.9(5) . . . . ?
F2 C15 C16 C17 -177.7(5) . . . . ?
F2 C15 C16 C22 2.4(8) . . . . ?
F3 C17 C18 F4 -0.2(8) . . . . ?
F3 C17 C18 C13 176.8(5) . . . . ?
F5 C20 C21 F6 0.8(8) . . . . ?
F5 C20 C21 C22 -177.3(5) . . . . ?
F6 C21 C22 C16 0.5(8) . . . . ?
F6 C21 C22 C23 179.8(5) . . . . ?
F7 C23 C24 F8 3.5(8) . . . . ?
F7 C23 C24 C19 -177.4(5) . . . . ?
C13 C14 C15 F2 178.8(5) . . . . ?
C13 C14 C15 C16 -0.8(9) . . . . ?
C14 C13 C18 F4 179.3(5) . . . . ?
C14 C13 C18 C17 2.3(8) . . . . ?
C14 C15 C16 C17 1.9(8) . . . . ?
C14 C15 C16 C22 -178.0(5) . . . . ?
C15 C16 C17 F3 -178.9(5) . . . . ?
C15 C16 C17 C18 -0.8(8) . . . . ?
C15 C16 C22 C21 54.0(8) . . . . ?
C15 C16 C22 C23 -125.2(6) . . . . ?
C16 C17 C18 F4 -178.2(5) . . . . ?
C16 C17 C18 C13 -1.3(9) . . . . ?
C16 C22 C23 F7 0.0(8) . . . . ?
C16 C22 C23 C24 179.0(5) . . . . ?
C17 C16 C22 C21 -125.9(6) . . . . ?
C17 C16 C22 C23 54.9(8) . . . . ?
C18 C13 C14 F1 177.8(5) . . . . ?
C18 C13 C14 C15 -1.3(8) . . . . ?
C19 C20 C21 F6 179.3(5) . . . . ?
C19 C20 C21 C22 1.2(9) . . . . ?
C20 C19 C24 F8 174.6(5) . . . . ?
C20 C19 C24 C23 -4.5(8) . . . . ?
C20 C21 C22 C16 178.6(5) . . . . ?
C20 C21 C22 C23 -2.1(8) . . . . ?
C21 C22 C23 F7 -179.3(5) . . . . ?
C21 C22 C23 C24 -0.3(8) . . . . ?
C22 C16 C17 F3 1.0(8) . . . . ?
C22 C16 C17 C18 179.0(5) . . . . ?
C22 C23 C24 F8 -175.4(5) . . . . ?
C22 C23 C24 C19 3.7(9) . . . . ?
C24 C19 C20 F5 -179.4(5) . . . . ?
C24 C19 C20 C21 2.1(8) . . . . ?
Pd1 O1 C1 O2 -7.4(8) . . . . ?
Pd1 O1 C1 C2 170.8(4) . . . . ?
Pd1 O3 C3 O4 -3.5(10) . . . . ?
Pd1 O3 C3 C4 175.5(4) . . . . ?
Pd1 O10 C9 O9 -0.3(9) . . . . ?
Pd1 O10 C9 C10 -178.9(4) . . . . ?
Pd1 O12 C11 O11 -16.8(9) . . . . ?
Pd1 O12 C11 C12 164.0(4) . . . . ?
Pd2 O2 C1 O1 -17.1(9) . . . . ?
Pd2 O2 C1 C2 164.7(4) . . . . ?
Pd2 O4 C3 O3 -15.9(9) . . . . ?
Pd2 O4 C3 C4 165.1(4) . . . . ?
Pd2 O5 C5 O6 -11.4(8) . . . . ?
Pd2 O5 C5 C6 168.8(4) . . . . ?
Pd2 O7 C7 O8 -6.5(10) . . . . ?
Pd2 O7 C7 C8 174.0(4) . . . . ?
Pd3 O6 C5 O5 -14.3(8) . . . . ?
Pd3 O6 C5 C6 165.6(4) . . . . ?
Pd3 O8 C7 O7 -13.7(9) . . . . ?
Pd3 O8 C7 C8 165.9(4) . . . . ?
Pd3 O9 C9 O10 -14.0(8) . . . . ?
Pd3 O9 C9 C10 164.6(4) . . . . ?
Pd3 O11 C11 O12 0.9(9) . . . . ?
Pd3 O11 C11 C12 -179.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6345(5)
2 0.3655(5)

####################################################################### 
# 
# 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_12
_database_code_depnum_ccdc_archive 'CCDC 2082586'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-05-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii) 4-iiodotetrafluorotoluene"
_chemical_formula_moiety         'C7 F7 I, C12 H18 O12 Pd3'
_chemical_formula_sum            'C19 H18 F7 I O12 Pd3'
_chemical_formula_weight         1017.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           74
_space_group_name_H-M_alt        'I m m a'
_space_group_name_Hall           '-I 2b 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   15.4555(5)
_cell_length_b                   18.5032(6)
_cell_length_c                   10.1571(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2904.69(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9417
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      32.49
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.817
_shelx_estimated_absorpt_T_min   0.696
_exptl_absorpt_coefficient_mu    3.001
_exptl_absorpt_correction_T_max  0.746441
_exptl_absorpt_correction_T_min  0.583130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            54105
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.590
_diffrn_reflns_theta_min         2.201
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                45374
_reflns_number_total             54105
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.979
_refine_diff_density_min         -0.916
_refine_diff_density_rms         0.149
_refine_ls_extinction_coef       0.00055(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         54105
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0082P)²+30.4720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0979
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8951(19)
 0.1049(19)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 Pd1-O1 \\sim Pd1-O1A
 with sigma of 0.02
 O1-C1 \\sim O1A-C1
 with sigma of 0.02
 Pd2-O2 \\sim Pd2-O2A
 with sigma of 0.02
 O2-C1 \\sim O2A-C1
 with sigma of 0.02
 O3-C3 \\sim O3A-C3
 with sigma of 0.02
 Pd2-O3 \\sim Pd2-O3A
 with sigma of 0.02
 F4-C7 \\sim F2-C7 \\sim F3-C7
 with sigma of 0.02
4. Others
 Fixed Sof: I1(0.25) C7(0.25) O1(0.5) O2(0.5) O3(0.5) H4A(0.5) H4B(0.5)
 H4C(0.5) O1A(0.5) O2A(0.5) O3A(0.5) F2(0.25) F3(0.25) F4(0.25)
5.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C)
;
_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
I1 I 1.000000 0.41005(12) 0.79482(17) 0.0510(5) Uani 0.5 2 d S T P . .
F1 F 0.84740(17) 0.46549(17) 0.6131(4) 0.0378(8) Uani 1 1 d . . . . .
C5 C 0.9231(3) 0.4824(3) 0.5591(5) 0.0231(10) Uani 1 1 d . . . . .
C6 C 1.000000 0.4632(4) 0.6211(7) 0.0256(14) Uani 1 2 d S T P . .
C7 C 1.000000 0.4250(14) 0.756(2) 0.034(5) Uani 0.5 2 d DS T P . .
Pd1 Pd 0.500000 0.250000 0.42018(7) 0.01801(16) Uani 1 4 d DS T P . .
Pd2 Pd 0.500000 0.33424(3) 0.15157(5) 0.01850(13) Uani 1 2 d DS T P A .
O1 O 0.6057(6) 0.3109(5) 0.4362(11) 0.029(2) Uani 0.5 1 d D . . A 1
O2 O 0.5833(9) 0.3879(8) 0.2693(14) 0.026(3) Uani 0.5 1 d D . . A 1
O3 O 0.4203(7) 0.3064(8) 0.0070(12) 0.029(2) Uani 0.5 1 d D . . A 1
C1 C 0.6203(3) 0.3683(2) 0.3664(6) 0.0253(10) Uani 1 1 d D . . . .
C2 C 0.6965(3) 0.4124(3) 0.4147(6) 0.0350(12) Uani 1 1 d . . . . .
H2A H 0.750425 0.387091 0.393663 0.053 Uiso 1 1 calc GR . . . .
H2B H 0.692090 0.418960 0.510173 0.053 Uiso 1 1 calc GR . . . .
H2C H 0.696209 0.459754 0.371384 0.053 Uiso 1 1 calc GR . . . .
C3 C 0.3801(5) 0.250000 -0.0131(7) 0.0286(16) Uani 1 2 d DS T P . .
C4 C 0.3103(5) 0.250000 -0.1145(10) 0.047(2) Uani 1 2 d S T P A .
H4A H 0.327779 0.280436 -0.188865 0.071 Uiso 0.5 1 calc GR . . B -1
H4B H 0.256872 0.269066 -0.075932 0.071 Uiso 0.5 1 calc GR . . B -1
H4C H 0.300469 0.200499 -0.145368 0.071 Uiso 0.5 1 calc GR . . B -1
O1A O 0.5775(6) 0.3353(5) 0.4458(11) 0.029(2) Uani 0.5 1 d D . . A 2
O2A O 0.6042(9) 0.3725(8) 0.2406(14) 0.028(3) Uani 0.5 1 d D . . A 2
O3A O 0.3942(7) 0.3110(8) 0.0439(13) 0.033(3) Uani 0.5 1 d D . . A 2
F2 F 1.0404(13) 0.3649(9) 0.7522(17) 0.059(5) Uani 0.25 1 d D . . . .
F3 F 1.0317(10) 0.4639(8) 0.8483(13) 0.055(5) Uani 0.25 1 d D . . . .
F4 F 0.9191(11) 0.4002(18) 0.795(2) 0.099(10) Uani 0.25 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
I1 C6 2.020(7) . ?
I1 F2 1.130(19) . ?
I1 F2 1.130(19) 12_755 ?
I1 F3 1.236(14) 12_755 ?
I1 F3 1.236(14) . ?
I1 F4 1.264(17) 12_755 ?
I1 F4 1.264(17) . ?
F1 C5 1.329(5) . ?
C5 C5 1.366(10) 4_566 ?
C5 C6 1.392(6) . ?
C6 C7 1.55(2) . ?
C7 F2 1.28(3) 12_755 ?
C7 F2 1.28(3) . ?
C7 F3 1.28(3) . ?
C7 F3 1.28(3) 12_755 ?
C7 F4 1.389(17) . ?
C7 F4 1.389(17) 12_755 ?
Pd1 Pd2 3.1422(8) 2_655 ?
Pd1 Pd2 3.1422(8) . ?
Pd1 O1 1.991(10) . ?
Pd1 O1 1.991(10) 11_565 ?
Pd1 O1 1.991(10) 12_655 ?
Pd1 O1 1.991(10) 2_655 ?
Pd1 O1A 1.998(10) 11_565 ?
Pd1 O1A 1.998(10) 2_655 ?
Pd1 O1A 1.998(10) . ?
Pd1 O1A 1.998(10) 12_655 ?
Pd2 Pd2 3.1175(9) 2_655 ?
Pd2 O2 2.018(14) 12_655 ?
Pd2 O2 2.018(14) . ?
Pd2 O3 1.985(14) . ?
Pd2 O3 1.985(14) 12_655 ?
Pd2 O2A 1.979(15) . ?
Pd2 O2A 1.979(15) 12_655 ?
Pd2 O3A 2.014(13) 12_655 ?
Pd2 O3A 2.014(13) . ?
O1 C1 1.297(12) . ?
O2 C1 1.197(16) . ?
O3 C3 1.232(15) . ?
C1 C2 1.515(6) . ?
C1 O1A 1.208(12) . ?
C1 O2A 1.303(16) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.491(10) . ?
C3 O3A 1.287(15) . ?
C3 O3A 1.287(15) 11_565 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
F2 F2 1.25(4) 12_755 ?
F2 F4 1.00(3) 12_755 ?
F3 F3 0.98(3) 12_755 ?
F3 F4 1.50(3) 12_755 ?

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
F2 I1 C6 91.5(8) . . ?
F2 I1 C6 91.5(8) 12_755 . ?
F2 I1 F2 67(2) . 12_755 ?
F2 I1 F3 123.1(11) . . ?
F2 I1 F3 169.8(14) 12_755 . ?
F2 I1 F3 123.1(11) 12_755 12_755 ?
F2 I1 F3 169.8(14) . 12_755 ?
F2 I1 F4 116(2) 12_755 12_755 ?
F2 I1 F4 49.3(15) 12_755 . ?
F2 I1 F4 49.3(15) . 12_755 ?
F2 I1 F4 116(2) . . ?
F3 I1 C6 89.5(6) 12_755 . ?
F3 I1 C6 89.5(6) . . ?
F3 I1 F3 46.8(14) 12_755 . ?
F3 I1 F4 121(2) 12_755 12_755 ?
F3 I1 F4 121(2) . . ?
F3 I1 F4 73.9(16) 12_755 . ?
F3 I1 F4 73.9(16) . 12_755 ?
F4 I1 C6 94.1(9) 12_755 . ?
F4 I1 C6 94.1(9) . . ?
F4 I1 F4 163(3) . 12_755 ?
F1 C5 C5 118.4(3) . 4_566 ?
F1 C5 C6 120.3(5) . . ?
C5 C5 C6 121.3(3) 4_566 . ?
C5 C6 I1 121.3(3) 12_755 . ?
C5 C6 I1 121.3(3) . . ?
C5 C6 C5 117.4(6) . 12_755 ?
C5 C6 C7 121.3(3) 12_755 . ?
C5 C6 C7 121.3(3) . . ?
C7 C6 I1 1.9(11) . . ?
F2 C7 C6 111.7(18) . . ?
F2 C7 C6 111.7(18) 12_755 . ?
F2 C7 F2 59(2) . 12_755 ?
F2 C7 F3 109.1(15) . . ?
F2 C7 F3 135(2) 12_755 . ?
F2 C7 F3 109.1(15) 12_755 12_755 ?
F2 C7 F3 135(2) . 12_755 ?
F2 C7 F4 99(2) 12_755 12_755 ?
F2 C7 F4 99(2) . . ?
F2 C7 F4 44.1(14) 12_755 . ?
F2 C7 F4 44.1(14) . 12_755 ?
F3 C7 C6 113.1(17) . . ?
F3 C7 C6 113.1(17) 12_755 . ?
F3 C7 F3 45.2(18) 12_755 . ?
F3 C7 F4 109(2) 12_755 12_755 ?
F3 C7 F4 68.5(16) 12_755 . ?
F3 C7 F4 68.5(16) . 12_755 ?
F3 C7 F4 109(2) . . ?
F4 C7 C6 113.7(13) 12_755 . ?
F4 C7 C6 113.7(13) . . ?
F4 C7 F4 129(3) . 12_755 ?
Pd2 Pd1 Pd2 59.48(2) . 2_655 ?
O1 Pd1 Pd2 77.9(3) 11_565 2_655 ?
O1 Pd1 Pd2 77.9(3) . . ?
O1 Pd1 Pd2 110.6(3) . 2_655 ?
O1 Pd1 Pd2 77.9(3) 2_655 2_655 ?
O1 Pd1 Pd2 110.6(3) 2_655 . ?
O1 Pd1 Pd2 77.9(3) 12_655 . ?
O1 Pd1 Pd2 110.6(3) 12_655 2_655 ?
O1 Pd1 Pd2 110.6(3) 11_565 . ?
O1 Pd1 O1 68.9(5) 2_655 12_655 ?
O1 Pd1 O1 110.3(5) 2_655 11_565 ?
O1 Pd1 O1 170.6(7) 12_655 11_565 ?
O1 Pd1 O1 170.6(7) . 2_655 ?
O1 Pd1 O1 68.9(5) . 11_565 ?
O1 Pd1 O1 110.3(5) . 12_655 ?
O1 Pd1 O1A 86.8(4) 2_655 12_655 ?
O1 Pd1 O1A 158.1(3) 12_655 11_565 ?
O1 Pd1 O1A 158.1(3) . 2_655 ?
O1 Pd1 O1A 91.9(4) . 12_655 ?
O1 Pd1 O1A 91.9(4) 11_565 2_655 ?
O1 Pd1 O1A 158.1(3) 11_565 12_655 ?
O1 Pd1 O1A 86.8(4) 12_655 2_655 ?
O1 Pd1 O1A 18.3(3) 12_655 12_655 ?
O1 Pd1 O1A 18.3(3) 2_655 2_655 ?
O1 Pd1 O1A 18.3(3) 11_565 11_565 ?
O1 Pd1 O1A 86.8(4) . 11_565 ?
O1 Pd1 O1A 91.9(4) 2_655 11_565 ?
O1A Pd1 Pd2 120.3(3) 11_565 . ?
O1A Pd1 Pd2 73.8(3) . . ?
O1A Pd1 Pd2 120.3(3) 2_655 . ?
O1A Pd1 Pd2 73.8(3) 12_655 . ?
O1A Pd1 O1A 165.1(7) 2_655 . ?
O1A Pd1 O1A 73.6(5) 12_655 . ?
O1A Pd1 O1A 104.4(5) 11_565 . ?
Pd2 Pd2 Pd1 60.260(11) 2_655 . ?
O2 Pd2 Pd1 74.3(5) . . ?
O2 Pd2 Pd1 74.3(5) 12_655 . ?
O2 Pd2 Pd2 119.5(4) . 2_655 ?
O2 Pd2 Pd2 119.5(4) 12_655 2_655 ?
O2 Pd2 O2 79.3(6) . 12_655 ?
O3 Pd2 Pd1 120.9(4) . . ?
O3 Pd2 Pd1 120.9(4) 12_655 . ?
O3 Pd2 Pd2 75.0(4) . 2_655 ?
O3 Pd2 Pd2 75.0(4) 12_655 2_655 ?
O3 Pd2 O2 99.8(4) 12_655 . ?
O3 Pd2 O2 164.1(6) 12_655 12_655 ?
O3 Pd2 O2 164.1(6) . . ?
O3 Pd2 O2 99.8(4) . 12_655 ?
O3 Pd2 O3 76.7(5) . 12_655 ?
O3 Pd2 O3A 16.0(4) 12_655 12_655 ?
O3 Pd2 O3A 92.7(4) . 12_655 ?
O2A Pd2 Pd1 77.3(5) . . ?
O2A Pd2 Pd1 77.3(5) 12_655 . ?
O2A Pd2 O2A 109.0(6) 12_655 . ?
O2A Pd2 O3A 70.3(4) 12_655 . ?
O2A Pd2 O3A 170.4(7) . . ?
O3A Pd2 Pd1 111.4(4) 12_655 . ?
O3A Pd2 Pd1 111.4(4) . . ?
C1 O1 Pd1 124.1(7) . . ?
C1 O2 Pd2 130.1(11) . . ?
C3 O3 Pd2 131.0(10) . . ?
O1 C1 C2 113.5(6) . . ?
O2 C1 O1 128.0(10) . . ?
O2 C1 C2 118.4(9) . . ?
O1A C1 C2 118.8(7) . . ?
O1A C1 O2A 125.5(10) . . ?
O2A C1 C2 115.6(8) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O3 115.8(14) 11_565 . ?
O3 C3 C4 118.6(7) 11_565 . ?
O3 C3 C4 118.6(7) . . ?
O3 C3 O3A 125.6(7) . 11_565 ?
O3 C3 O3A 25.5(6) 11_565 11_565 ?
O3A C3 C4 115.7(7) 11_565 . ?
O3A C3 C4 115.7(7) . . ?
O3A C3 O3A 122.5(14) 11_565 . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 O1A Pd1 129.8(8) . . ?
C1 O2A Pd2 125.5(10) . . ?
C3 O3A Pd2 124.7(9) . . ?
I1 F2 C7 21.8(10) . . ?
I1 F2 F2 56.5(10) . 12_755 ?
F2 F2 C7 60.7(11) 12_755 . ?
F4 F2 I1 72(2) 12_755 . ?
F4 F2 C7 74(2) 12_755 . ?
F4 F2 F2 129(2) 12_755 12_755 ?
I1 F3 C7 21.8(9) . . ?
I1 F3 F4 53.9(10) . 12_755 ?
C7 F3 F4 59.3(11) . 12_755 ?
F3 F3 I1 66.6(7) 12_755 . ?
F3 F3 C7 67.4(9) 12_755 . ?
F3 F3 F4 120.4(11) 12_755 12_755 ?
I1 F4 C7 20.1(8) . . ?
I1 F4 F3 52.2(11) . 12_755 ?
C7 F4 F3 52.2(15) . 12_755 ?
F2 F4 I1 58.4(14) 12_755 . ?
F2 F4 C7 62.0(17) 12_755 . ?
F2 F4 F3 111(2) 12_755 12_755 ?

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
I1 C6 C7 F2 31.8(16) . . . . ?
I1 C6 C7 F2 -31.8(15) . . . 12_755 ?
I1 C6 C7 F3 155.3(13) . . . . ?
I1 C6 C7 F3 -155.3(13) . . . 12_755 ?
I1 C6 C7 F4 80(3) . . . 12_755 ?
I1 C6 C7 F4 -80(3) . . . . ?
F1 C5 C6 I1 -0.4(8) . . . . ?
F1 C5 C6 C5 179.8(3) . . . 12_755 ?
F1 C5 C6 C7 -2.6(15) . . . . ?
C5 C5 C6 I1 -179.2(5) 4_566 . . . ?
C5 C5 C6 C5 1.0(12) 4_566 . . 12_755 ?
C5 C5 C6 C7 178.5(14) 4_566 . . . ?
C5 C6 C7 F2 123.0(11) . . . . ?
C5 C6 C7 F2 60(2) . . . 12_755 ?
C5 C6 C7 F2 -60(2) 12_755 . . . ?
C5 C6 C7 F2 -123.0(11) 12_755 . . 12_755 ?
C5 C6 C7 F3 64.0(18) 12_755 . . . ?
C5 C6 C7 F3 113.4(9) 12_755 . . 12_755 ?
C5 C6 C7 F3 -113.4(9) . . . . ?
C5 C6 C7 F3 -64.0(18) . . . 12_755 ?
C5 C6 C7 F4 12(3) . . . . ?
C5 C6 C7 F4 -12(3) 12_755 . . 12_755 ?
C5 C6 C7 F4 -171(2) 12_755 . . . ?
C5 C6 C7 F4 171(2) . . . 12_755 ?
C6 I1 F2 C7 3(2) . . . . ?
C6 I1 F2 F2 -91.0(5) . . . 12_755 ?
C6 I1 F2 F4 94.2(16) . . . 12_755 ?
C6 I1 F3 C7 2.4(15) . . . . ?
C6 I1 F3 F3 89.8(3) . . . 12_755 ?
C6 I1 F3 F4 -94.4(10) . . . 12_755 ?
C6 I1 F4 C7 -6(4) . . . . ?
C6 I1 F4 F2 88.4(15) . . . 12_755 ?
C6 I1 F4 F3 -88.3(7) . . . 12_755 ?
C6 C7 F2 I1 -175(3) . . . . ?
C6 C7 F2 F2 -102.9(15) . . . 12_755 ?
C6 C7 F2 F4 102.2(19) . . . 12_755 ?
C6 C7 F3 I1 -177(2) . . . . ?
C6 C7 F3 F3 100.2(11) . . . 12_755 ?
C6 C7 F3 F4 -107.6(13) . . . 12_755 ?
C6 C7 F4 I1 171(5) . . . . ?
C6 C7 F4 F2 97(2) . . . 12_755 ?
C6 C7 F4 F3 -107(2) . . . 12_755 ?
Pd1 O1 C1 O2 -13.5(13) . . . . ?
Pd1 O1 C1 C2 169.2(5) . . . . ?
Pd2 O2 C1 O1 -13.2(15) . . . . ?
Pd2 O2 C1 C2 164.0(7) . . . . ?
Pd2 O3 C3 O3 -42.5(17) . . . 11_565 ?
Pd2 O3 C3 C4 167.0(7) . . . . ?
C2 C1 O1A Pd1 -158.3(6) . . . . ?
C2 C1 O2A Pd2 -170.0(6) . . . . ?
C4 C3 O3A Pd2 -165.0(8) . . . . ?
O1A C1 O2A Pd2 6.4(15) . . . . ?
O2A C1 O1A Pd1 25.4(14) . . . . ?
O3A C3 O3A Pd2 43.8(18) 11_565 . . . ?
F2 I1 F2 C7 94(2) 12_755 . . . ?
F2 I1 F2 F4 -174.9(13) 12_755 . . 12_755 ?
F2 I1 F3 C7 -93(6) 12_755 . . . ?
F2 I1 F3 C7 93.9(18) . . . . ?
F2 I1 F3 F3 -178.8(11) . . . 12_755 ?
F2 I1 F3 F3 -6(5) 12_755 . . 12_755 ?
F2 I1 F3 F4 170(5) 12_755 . . 12_755 ?
F2 I1 F3 F4 -3.0(17) . . . 12_755 ?
F2 I1 F4 C7 -100(4) . . . . ?
F2 I1 F4 C7 -94(4) 12_755 . . . ?
F2 I1 F4 F2 -5.3(13) . . . 12_755 ?
F2 I1 F4 F3 178.0(11) . . . 12_755 ?
F2 I1 F4 F3 -176.7(18) 12_755 . . 12_755 ?
F2 C7 F2 I1 -72.3(18) 12_755 . . . ?
F2 C7 F2 F4 -154.9(18) 12_755 . . 12_755 ?
F2 C7 F3 I1 -51.6(19) . . . . ?
F2 C7 F3 I1 12.7(17) 12_755 . . . ?
F2 C7 F3 F3 -134.9(17) . . . 12_755 ?
F2 C7 F3 F3 -71(2) 12_755 . . 12_755 ?
F2 C7 F3 F4 17.4(15) . . . 12_755 ?
F2 C7 F3 F4 82(3) 12_755 . . 12_755 ?
F2 C7 F4 I1 74(4) 12_755 . . . ?
F2 C7 F4 I1 53(3) . . . . ?
F2 C7 F4 F2 -21.5(19) . . . 12_755 ?
F2 C7 F4 F3 156(2) 12_755 . . 12_755 ?
F2 C7 F4 F3 135(2) . . . 12_755 ?
F3 I1 F2 C7 -92(6) 12_755 . . . ?
F3 I1 F2 C7 -87(2) . . . . ?
F3 I1 F2 F2 174(6) 12_755 . . 12_755 ?
F3 I1 F2 F2 178.6(13) . . . 12_755 ?
F3 I1 F2 F4 4(2) . . . 12_755 ?
F3 I1 F2 F4 -1(7) 12_755 . . 12_755 ?
F3 I1 F3 C7 -87.4(15) 12_755 . . . ?
F3 I1 F3 F4 175.8(10) 12_755 . . 12_755 ?
F3 I1 F4 C7 86(4) . . . . ?
F3 I1 F4 C7 82(4) 12_755 . . . ?
F3 I1 F4 F2 -179.7(13) . . . 12_755 ?
F3 I1 F4 F2 176.7(18) 12_755 . . 12_755 ?
F3 I1 F4 F3 3.6(8) . . . 12_755 ?
F3 C7 F2 I1 59(2) . . . . ?
F3 C7 F2 I1 14.0(19) 12_755 . . . ?
F3 C7 F2 F2 131.4(19) . . . 12_755 ?
F3 C7 F2 F2 86(2) 12_755 . . 12_755 ?
F3 C7 F2 F4 -69(3) 12_755 . . 12_755 ?
F3 C7 F2 F4 -24(2) . . . 12_755 ?
F3 C7 F3 I1 83.3(13) 12_755 . . . ?
F3 C7 F3 F4 152.2(14) 12_755 . . 12_755 ?
F3 C7 F4 I1 -62(3) . . . . ?
F3 C7 F4 I1 -82(4) 12_755 . . . ?
F3 C7 F4 F2 -136(2) . . . 12_755 ?
F3 C7 F4 F2 -156(2) 12_755 . . 12_755 ?
F3 C7 F4 F3 20.5(14) . . . 12_755 ?
F4 I1 F2 C7 -91(3) 12_755 . . . ?
F4 I1 F2 C7 99(2) . . . . ?
F4 I1 F2 F2 174.9(13) 12_755 . . 12_755 ?
F4 I1 F2 F2 4.3(11) . . . 12_755 ?
F4 I1 F2 F4 -171(2) . . . 12_755 ?
F4 I1 F3 C7 -92.0(19) . . . . ?
F4 I1 F3 C7 96.9(18) 12_755 . . . ?
F4 I1 F3 F3 -4.7(11) . . . 12_755 ?
F4 I1 F3 F3 -175.8(10) 12_755 . . 12_755 ?
F4 I1 F3 F4 171(2) . . . 12_755 ?
F4 I1 F4 C7 -126(8) 12_755 . . . ?
F4 I1 F4 F2 -31(9) 12_755 . . 12_755 ?
F4 I1 F4 F3 152(7) 12_755 . . 12_755 ?
F4 C7 F2 I1 83(3) 12_755 . . . ?
F4 C7 F2 I1 -54.9(18) . . . . ?
F4 C7 F2 F2 17.4(14) . . . 12_755 ?
F4 C7 F2 F2 154.9(18) 12_755 . . 12_755 ?
F4 C7 F2 F4 -138(3) . . . 12_755 ?
F4 C7 F3 I1 56.0(17) . . . . ?
F4 C7 F3 I1 -69.0(18) 12_755 . . . ?
F4 C7 F3 F3 -152.2(14) 12_755 . . 12_755 ?
F4 C7 F3 F3 -27.3(15) . . . 12_755 ?
F4 C7 F3 F4 125(3) . . . 12_755 ?
F4 C7 F4 I1 16(4) 12_755 . . . ?
F4 C7 F4 F2 -58(5) 12_755 . . 12_755 ?
F4 C7 F4 F3 98(4) 12_755 . . 12_755 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8951(19)
2 0.1049(19)

####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2082588'
loop_
_audit_author_name
_audit_author_address
'Ivan Skabitsky'
;Kurnakov Institute of General and Inorganic Chemistry
Russia
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_audit_creation_date             2021-05-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"hexakis(m2-Acetato-O,O')-tri-palladium(ii) 1,4-diiodotetrafluorobenzene"
_chemical_formula_moiety         'C12 H18 O12 Pd3, C6 F4 I2'
_chemical_formula_sum            'C18 H18 F4 I2 O12 Pd3'
_chemical_formula_weight         1075.32
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.4749(7)
_cell_length_b                   18.3530(7)
_cell_length_c                   18.4759(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.0370(10)
_cell_angle_gamma                90
_cell_volume                     5765.0(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9526
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      32.57
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.736
_shelx_estimated_absorpt_T_min   0.580
_exptl_absorpt_coefficient_mu    4.073
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.5858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1070 before and 0.0616 after correction.
The Ratio of minimum to maximum transmission is 0.7848.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.478
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4016
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            454623
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.643
_diffrn_reflns_theta_min         1.321
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14064
_reflns_number_total             21079
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.960
_refine_diff_density_min         -2.614
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         21079
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0340
_refine_ls_restrained_S_all      1.087
_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)+(0.0093P)²+33.2198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0771
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 I3-C31 \\sim I3A-C31
 with sigma of 0.02
 I4-C34 \\sim I4A-C34
 with sigma of 0.02
 I1-C25 \\sim I1A-C25
 with sigma of 0.02
 I2-C28 \\sim I2A-C28
 with sigma of 0.02
 O13-C13 \\sim O13A-C13
 with sigma of 0.02
 Pd4-O15 \\sim Pd4-O15A
 with sigma of 0.02
 O15-C15 \\sim O15A-C15
 with sigma of 0.02
 O17-C17 \\sim O17A-C17
 with sigma of 0.02
 O21-C21 \\sim O21A-C21
 with sigma of 0.02
 O19-C19 \\sim O19A-C19
 with sigma of 0.02
 O23-C23 \\sim O23A-C23
 with sigma of 0.02
 Pd4-O22 \\sim Pd4-O22A
 with sigma of 0.02
 Pd6-O23 \\sim Pd6-O23A
 with sigma of 0.02
 Pd4-O13 \\sim Pd4-O13A
 with sigma of 0.02
 O14-C13 \\sim O14A-C13
 with sigma of 0.02
 Pd5-O14 \\sim Pd5-O14A
 with sigma of 0.02
 O16-C15 \\sim O16A-C15
 with sigma of 0.02
 Pd5-O16 \\sim Pd5-O16A
 with sigma of 0.02
 O18-C17 \\sim O18A-C17
 with sigma of 0.02
 Pd5-O17 \\sim Pd5-O17A
 with sigma of 0.02
 O20-C19 \\sim O20A-C19
 with sigma of 0.02
 Pd5-O19 \\sim Pd5-O19A
 with sigma of 0.02
 O22-C21 \\sim O22A-C21
 with sigma of 0.02
 Pd6-O18 \\sim Pd6-O18A
 with sigma of 0.02
 O24-C23 \\sim O24A-C23
 with sigma of 0.02
 Pd6-O20 \\sim Pd6-O20A
 with sigma of 0.02
 Pd4-O24 \\sim Pd4-O24A
 with sigma of 0.02
 Pd6-O21 \\sim Pd6-O21A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(I2A) = Uanis(I2)
Uanis(I1) = Uanis(I1A)
4. Others
 Sof(I1A)=Sof(I2A)=1-FVAR(1)
 Sof(I1)=Sof(I2)=FVAR(1)
 Fixed Sof: O13(0.5) O14(0.5) O15(0.5) O16(0.5) O17(0.5) O18(0.5) O19(0.5)
 O20(0.5) O21(0.5) O22(0.5) O23(0.5) O24(0.5) O13A(0.5) O14A(0.5) O15A(0.5)
 O16A(0.5) O17A(0.5) O18A(0.5) O19A(0.5) O20A(0.5) O21A(0.5) O22A(0.5)
 O23A(0.5) O24A(0.5) I3(0.5) I3A(0.5) I4(0.5) I4A(0.5)
5.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C10(H10A,
 H10B,H10C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C),
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C)
;
_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
Pd1 Pd 0.29102(2) 0.24998(2) 0.29104(2) 0.01289(6) Uani 1 1 d . . . . .
Pd2 Pd 0.42524(2) 0.33449(2) 0.42399(2) 0.01298(5) Uani 1 1 d . . . . .
Pd3 Pd 0.42400(2) 0.16551(2) 0.42526(2) 0.01299(5) Uani 1 1 d . . . . .
O1 O 0.33601(18) 0.30980(17) 0.22929(17) 0.0264(6) Uani 1 1 d . . . . .
O2 O 0.40760(18) 0.38730(16) 0.32390(17) 0.0244(6) Uani 1 1 d . . . . .
O3 O 0.23867(17) 0.33560(17) 0.31648(17) 0.0248(6) Uani 1 1 d . . . . .
O4 O 0.32798(17) 0.37327(16) 0.43214(17) 0.0231(6) Uani 1 1 d . . . . .
O5 O 0.53136(16) 0.31138(17) 0.4261(2) 0.0270(6) Uani 1 1 d . . . . .
O6 O 0.53663(16) 0.19294(17) 0.45694(19) 0.0258(6) Uani 1 1 d . . . . .
O7 O 0.45675(19) 0.30717(17) 0.53653(16) 0.0259(6) Uani 1 1 d . . . . .
O8 O 0.4261(2) 0.18863(17) 0.53137(17) 0.0269(6) Uani 1 1 d . . . . .
O9 O 0.43213(17) 0.12679(17) 0.32805(17) 0.0236(6) Uani 1 1 d . . . . .
O10 O 0.31662(17) 0.16433(17) 0.23894(17) 0.0247(6) Uani 1 1 d . . . . .
O11 O 0.32396(17) 0.11272(16) 0.40768(18) 0.0246(6) Uani 1 1 d . . . . .
O12 O 0.22933(16) 0.19012(17) 0.33603(19) 0.0266(6) Uani 1 1 d . . . . .
C1 C 0.3767(2) 0.3665(2) 0.2540(2) 0.0194(7) Uani 1 1 d . . . . .
C2 C 0.3899(3) 0.4123(3) 0.1931(3) 0.0294(9) Uani 1 1 d . . . . .
H2A H 0.426605 0.387418 0.174898 0.044 Uiso 1 1 calc GR . . . .
H2B H 0.411945 0.459481 0.216028 0.044 Uiso 1 1 calc GR . . . .
H2C H 0.339681 0.419990 0.148485 0.044 Uiso 1 1 calc GR . . . .
C3 C 0.2601(2) 0.3711(2) 0.3800(2) 0.0178(7) Uani 1 1 d . . . . .
C4 C 0.1978(3) 0.4143(3) 0.3941(3) 0.0256(8) Uani 1 1 d . . . . .
H4A H 0.219387 0.461528 0.417138 0.038 Uiso 1 1 calc GR . . . .
H4B H 0.180307 0.387534 0.430249 0.038 Uiso 1 1 calc GR . . . .
H4C H 0.153013 0.421895 0.344026 0.038 Uiso 1 1 calc GR . . . .
C5 C 0.5664(3) 0.25168(19) 0.4474(3) 0.0215(9) Uani 1 1 d . . . . .
C6 C 0.6524(3) 0.2507(2) 0.4620(4) 0.0359(14) Uani 1 1 d . . . . .
H6A H 0.677869 0.294357 0.491624 0.054 Uiso 1 1 calc GR . . . .
H6B H 0.658395 0.250028 0.411598 0.054 Uiso 1 1 calc GR . . . .
H6C H 0.677021 0.207170 0.492346 0.054 Uiso 1 1 calc GR . . . .
C7 C 0.4472(3) 0.24843(19) 0.5664(3) 0.0221(9) Uani 1 1 d . . . . .
C8 C 0.4620(4) 0.2495(2) 0.6525(3) 0.0363(14) Uani 1 1 d . . . . .
H8A H 0.491918 0.293259 0.676886 0.055 Uiso 1 1 calc GR . . . .
H8B H 0.492086 0.206068 0.678017 0.055 Uiso 1 1 calc GR . . . .
H8C H 0.411635 0.249687 0.658562 0.055 Uiso 1 1 calc GR . . . .
C9 C 0.3800(2) 0.1288(2) 0.2601(2) 0.0178(7) Uani 1 1 d . . . . .
C10 C 0.3942(3) 0.0856(3) 0.1978(3) 0.0253(8) Uani 1 1 d . . . . .
H10A H 0.418327 0.038745 0.219801 0.038 Uiso 1 1 calc GR . . . .
H10B H 0.429462 0.112763 0.179531 0.038 Uiso 1 1 calc GR . . . .
H10C H 0.344012 0.076961 0.153506 0.038 Uiso 1 1 calc GR . . . .
C11 C 0.2541(2) 0.1334(2) 0.3769(2) 0.0191(7) Uani 1 1 d . . . . .
C12 C 0.1929(3) 0.0878(3) 0.3900(3) 0.0295(9) Uani 1 1 d . . . . .
H12A H 0.175640 0.112236 0.427621 0.044 Uiso 1 1 calc GR . . . .
H12B H 0.215306 0.040106 0.410947 0.044 Uiso 1 1 calc GR . . . .
H12C H 0.147825 0.081127 0.339974 0.044 Uiso 1 1 calc GR . . . .
Pd4 Pd 0.20900(2) 0.24803(2) 0.70901(2) 0.01232(6) Uani 1 1 d D . . . .
Pd5 Pd 0.07677(2) 0.33494(2) 0.57679(2) 0.01284(5) Uani 1 1 d D . . . .
Pd6 Pd 0.07407(2) 0.16597(2) 0.57406(2) 0.01286(5) Uani 1 1 d D . . . .
C13 C 0.2451(2) 0.3673(2) 0.6238(2) 0.0192(7) Uani 1 1 d D . . . .
C14 C 0.3069(3) 0.4117(3) 0.6107(3) 0.0263(8) Uani 1 1 d . . . . .
H14A H 0.352804 0.416545 0.660400 0.039 Uiso 1 1 calc GR . . . .
H14B H 0.285875 0.460112 0.591356 0.039 Uiso 1 1 calc GR . . . .
H14C H 0.322541 0.387408 0.571816 0.039 Uiso 1 1 calc GR . . . .
C15 C 0.1238(2) 0.3673(2) 0.7450(2) 0.0191(7) Uani 1 1 d D . . . .
C16 C 0.1109(3) 0.4118(3) 0.8071(3) 0.0272(9) Uani 1 1 d . . . . .
H16A H 0.073685 0.386523 0.824363 0.041 Uiso 1 1 calc GR . . . .
H16B H 0.089467 0.459488 0.785390 0.041 Uiso 1 1 calc GR . . . .
H16C H 0.161053 0.418291 0.851984 0.041 Uiso 1 1 calc GR . . . .
C17 C 0.0529(3) 0.25217(19) 0.4338(3) 0.0210(9) Uani 1 1 d D . . . .
C18 C 0.0382(4) 0.2528(2) 0.3478(3) 0.0350(13) Uani 1 1 d . . . . .
H18A H 0.088425 0.248238 0.341768 0.052 Uiso 1 1 calc GR . . . .
H18B H 0.012720 0.298617 0.324187 0.052 Uiso 1 1 calc GR . . . .
H18C H 0.004043 0.211794 0.321501 0.052 Uiso 1 1 calc GR . . . .
C19 C -0.0662(3) 0.25219(19) 0.5528(3) 0.0220(9) Uani 1 1 d D . . . .
C20 C -0.1523(3) 0.2529(2) 0.5381(4) 0.0348(13) Uani 1 1 d . . . . .
H20A H -0.158396 0.247982 0.588226 0.052 Uiso 1 1 calc GR . . . .
H20B H -0.178717 0.212149 0.503555 0.052 Uiso 1 1 calc GR . . . .
H20C H -0.175769 0.298907 0.512959 0.052 Uiso 1 1 calc GR . . . .
C21 C 0.2411(2) 0.1299(2) 0.6196(2) 0.0195(7) Uani 1 1 d D . . . .
C22 C 0.3021(3) 0.0853(3) 0.6050(3) 0.0269(9) Uani 1 1 d . . . . .
H22A H 0.320619 0.111782 0.569469 0.040 Uiso 1 1 calc GR . . . .
H22B H 0.279134 0.038709 0.581100 0.040 Uiso 1 1 calc GR . . . .
H22C H 0.346501 0.076305 0.655052 0.040 Uiso 1 1 calc GR . . . .
C23 C 0.1194(2) 0.1299(2) 0.7410(2) 0.0195(7) Uani 1 1 d D . . . .
C24 C 0.1050(3) 0.0853(3) 0.8021(3) 0.0275(9) Uani 1 1 d . . . . .
H24A H 0.070554 0.112231 0.821646 0.041 Uiso 1 1 calc GR . . . .
H24B H 0.155239 0.075240 0.845861 0.041 Uiso 1 1 calc GR . . . .
H24C H 0.079892 0.039168 0.778810 0.041 Uiso 1 1 calc GR . . . .
O13 O 0.2621(3) 0.3345(3) 0.6864(3) 0.0139(9) Uani 0.5 1 d D . P A 1
O14 O 0.1749(3) 0.3716(4) 0.5685(4) 0.0178(11) Uani 0.5 1 d D . P A 1
O15 O 0.1641(3) 0.3069(3) 0.7718(3) 0.0169(9) Uani 0.5 1 d D . P A 1
O16 O 0.0959(4) 0.3878(3) 0.6774(3) 0.0164(11) Uani 0.5 1 d D . P A 1
O17 O 0.0412(4) 0.3089(3) 0.4639(3) 0.0174(10) Uani 0.5 1 d D . P A 1
O18 O 0.0750(4) 0.1902(3) 0.4680(3) 0.0193(11) Uani 0.5 1 d D . P A 1
O19 O -0.0300(3) 0.3131(3) 0.5768(4) 0.0181(10) Uani 0.5 1 d D . P A 1
O20 O -0.0376(3) 0.1949(3) 0.5398(4) 0.0190(11) Uani 0.5 1 d D . P A 1
O21 O 0.1729(3) 0.1108(3) 0.5911(4) 0.0176(12) Uani 0.5 1 d D . P A 1
O22 O 0.2696(3) 0.1895(3) 0.6607(3) 0.0177(9) Uani 0.5 1 d D . P A 1
O23 O 0.0652(4) 0.1277(4) 0.6713(3) 0.0171(11) Uani 0.5 1 d D . P A 1
O24 O 0.1838(3) 0.1616(3) 0.7595(3) 0.0144(9) Uani 0.5 1 d D . P A 1
O13A O 0.2719(3) 0.3071(3) 0.6644(3) 0.0173(9) Uani 0.5 1 d D . P A 2
O14A O 0.1771(3) 0.3876(3) 0.5957(4) 0.0166(11) Uani 0.5 1 d D . P A 2
O15A O 0.1864(3) 0.3343(3) 0.7623(3) 0.0149(9) Uani 0.5 1 d D . P A 2
O16A O 0.0684(3) 0.3718(4) 0.6749(3) 0.0178(11) Uani 0.5 1 d D . P A 2
O17A O 0.0769(4) 0.3130(3) 0.4699(3) 0.0188(11) Uani 0.5 1 d D . P A 2
O18A O 0.0402(4) 0.1947(3) 0.4621(3) 0.0182(11) Uani 0.5 1 d D . P A 2
O19A O -0.0359(3) 0.3090(3) 0.5415(4) 0.0176(10) Uani 0.5 1 d D . P A 2
O20A O -0.0322(3) 0.1900(3) 0.5743(4) 0.0194(11) Uani 0.5 1 d D . P A 2
O21A O 0.1710(3) 0.1276(4) 0.5654(4) 0.0176(12) Uani 0.5 1 d D . P A 2
O22A O 0.2596(3) 0.1618(3) 0.6838(3) 0.0150(9) Uani 0.5 1 d D . P A 2
O23A O 0.0910(4) 0.1111(3) 0.6730(3) 0.0179(12) Uani 0.5 1 d D . P A 2
O24A O 0.1609(3) 0.1896(3) 0.7698(3) 0.0184(10) Uani 0.5 1 d D . P A 2
F1 F 0.02836(14) 0.53097(14) 0.87000(14) 0.0228(5) Uani 1 1 d . . . . .
F2 F 0.13736(14) 0.46090(14) 0.98983(15) 0.0235(5) Uani 1 1 d . . . . .
C25 C -0.0573(2) 0.5371(2) 0.9366(2) 0.0159(6) Uani 1 1 d D . . . .
C26 C 0.0137(2) 0.5162(2) 0.9340(2) 0.0157(6) Uani 1 1 d . . . . .
C27 C 0.0701(2) 0.4797(2) 0.9959(2) 0.0161(6) Uani 1 1 d . . . . .
I1 I -0.14030(2) 0.59094(2) 0.84214(2) 0.02215(6) Uani 0.9482(6) 1 d D . P B 1
I1A I -0.1638(3) 0.5931(3) 0.8672(3) 0.02215(6) Uani 0.0518(6) 1 d D . P B 2
F3 F 0.37004(14) 0.53109(14) 0.52846(14) 0.0227(5) Uani 1 1 d . . . . .
F4 F 0.51008(15) 0.53915(14) 0.36258(14) 0.0238(5) Uani 1 1 d . . . . .
C28 C 0.4367(2) 0.5371(2) 0.4427(2) 0.0160(6) Uani 1 1 d D . . . .
C29 C 0.5042(2) 0.5203(2) 0.4299(2) 0.0158(6) Uani 1 1 d . . . . .
C30 C 0.4340(2) 0.5162(2) 0.5137(2) 0.0163(7) Uani 1 1 d . . . . .
I2 I 0.34214(2) 0.59091(2) 0.35970(2) 0.02212(6) Uani 0.9482(6) 1 d D . P B 1
I2A I 0.3677(3) 0.5936(3) 0.3367(3) 0.02212(6) Uani 0.0518(6) 1 d D . P B 2
F5 F -0.13349(16) 0.03546(17) 0.5192(2) 0.0362(7) Uani 1 1 d . . . . .
F6 F 0.01929(19) 0.03534(17) 0.36647(16) 0.0357(7) Uani 1 1 d . . . . .
C31 C -0.0600(2) 0.0373(2) 0.4400(2) 0.0189(7) Uani 1 1 d D . . . .
C32 C -0.0677(2) 0.0184(2) 0.5091(2) 0.0186(7) Uani 1 1 d . . . . .
C33 C 0.0091(2) 0.0184(2) 0.4323(2) 0.0188(7) Uani 1 1 d . . . . .
I3 I -0.13959(4) 0.09207(4) 0.34254(4) 0.02199(12) Uani 0.5 1 d D . P C 1
I3A I -0.15733(4) 0.09211(4) 0.36037(4) 0.02237(12) Uani 0.5 1 d D . P C 2
F7 F -0.13372(16) 0.46521(16) 0.5192(2) 0.0373(7) Uani 1 1 d . . . . .
F8 F 0.0191(2) 0.46518(16) 0.36621(16) 0.0375(7) Uani 1 1 d . . . . .
C34 C -0.0605(2) 0.4635(2) 0.4396(2) 0.0201(7) Uani 1 1 d D . . . .
C35 C -0.0680(2) 0.4821(2) 0.5088(3) 0.0190(7) Uani 1 1 d . . . . .
C36 C 0.0088(3) 0.4822(2) 0.4320(2) 0.0194(7) Uani 1 1 d . . . . .
I4 I -0.14049(4) 0.41012(4) 0.34116(4) 0.02287(12) Uani 0.5 1 d D . P D 1
I4A I -0.15888(4) 0.41013(4) 0.35963(4) 0.02263(12) Uani 0.5 1 d D . P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Pd2 3.1338(4) . ?
Pd1 Pd3 3.1337(4) . ?
Pd1 O1 1.985(3) . ?
Pd1 O3 1.995(3) . ?
Pd1 O10 1.994(3) . ?
Pd1 O12 1.984(3) . ?
Pd2 Pd3 3.1014(5) . ?
Pd2 O2 1.998(3) . ?
Pd2 O4 1.992(3) . ?
Pd2 O5 1.991(3) . ?
Pd2 O7 1.992(3) . ?
Pd3 O6 1.993(3) . ?
Pd3 O8 1.991(3) . ?
Pd3 O9 1.991(3) . ?
Pd3 O11 1.998(3) . ?
O1 C1 1.259(5) . ?
O2 C1 1.251(5) . ?
O3 C3 1.263(5) . ?
O4 C3 1.248(5) . ?
O5 C5 1.255(5) . ?
O6 C5 1.254(5) . ?
O7 C7 1.255(5) . ?
O8 C7 1.256(5) . ?
O9 C9 1.248(5) . ?
O10 C9 1.261(5) . ?
O11 C11 1.248(5) . ?
O12 C11 1.262(5) . ?
C1 C2 1.500(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.501(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.504(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.504(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.504(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.501(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Pd4 Pd5 3.1320(4) . ?
Pd4 Pd6 3.1359(4) . ?
Pd4 O13 1.994(5) . ?
Pd4 O15 1.989(5) . ?
Pd4 O22 1.996(5) . ?
Pd4 O24 1.985(5) . ?
Pd4 O13A 1.988(5) . ?
Pd4 O15A 1.994(5) . ?
Pd4 O22A 1.984(5) . ?
Pd4 O24A 1.996(5) . ?
Pd5 Pd6 3.1015(5) . ?
Pd5 O14 1.995(6) . ?
Pd5 O16 2.002(5) . ?
Pd5 O17 1.984(5) . ?
Pd5 O19 2.013(5) . ?
Pd5 O14A 1.997(6) . ?
Pd5 O16A 1.996(6) . ?
Pd5 O17A 2.016(5) . ?
Pd5 O19A 1.980(5) . ?
Pd6 O18 2.016(5) . ?
Pd6 O20 1.978(6) . ?
Pd6 O21 2.003(6) . ?
Pd6 O23 1.994(6) . ?
Pd6 O18A 1.983(5) . ?
Pd6 O20A 2.014(5) . ?
Pd6 O21A 1.988(6) . ?
Pd6 O23A 2.002(6) . ?
C13 C14 1.497(5) . ?
C13 O13 1.231(6) . ?
C13 O14 1.302(7) . ?
C13 O13A 1.319(7) . ?
C13 O14A 1.214(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.500(5) . ?
C15 O15 1.320(7) . ?
C15 O16 1.209(7) . ?
C15 O15A 1.232(6) . ?
C15 O16A 1.302(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.503(7) . ?
C17 O17 1.238(7) . ?
C17 O18 1.287(7) . ?
C17 O17A 1.287(7) . ?
C17 O18A 1.241(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.505(7) . ?
C19 O19 1.289(7) . ?
C19 O20 1.243(7) . ?
C19 O19A 1.240(7) . ?
C19 O20A 1.289(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.500(5) . ?
C21 O21 1.211(7) . ?
C21 O22 1.319(7) . ?
C21 O21A 1.290(7) . ?
C21 O22A 1.245(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.501(5) . ?
C23 O23 1.286(7) . ?
C23 O24 1.246(6) . ?
C23 O23A 1.207(7) . ?
C23 O24A 1.323(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
F1 C26 1.340(4) . ?
F2 C27 1.335(4) . ?
C25 C26 1.385(5) . ?
C25 C27 1.392(5) 3_567 ?
C25 I1 2.070(4) . ?
C25 I1A 2.146(6) . ?
C26 C27 1.383(5) . ?
F3 C30 1.340(4) . ?
F4 C29 1.336(4) . ?
C28 C29 1.391(5) . ?
C28 C30 1.386(5) . ?
C28 I2 2.069(4) . ?
C28 I2A 2.141(6) . ?
C29 C30 1.381(5) 3_666 ?
F5 C32 1.337(4) . ?
F6 C33 1.339(4) . ?
C31 C32 1.383(6) . ?
C31 C33 1.384(6) . ?
C31 I3 2.084(4) . ?
C31 I3A 2.083(4) . ?
C32 C33 1.371(6) 3_556 ?
F7 C35 1.338(4) . ?
F8 C36 1.340(4) . ?
C34 C35 1.382(6) . ?
C34 C36 1.384(6) . ?
C34 I4 2.085(4) . ?
C34 I4A 2.084(4) . ?
C35 C36 1.373(6) 3_566 ?

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
Pd3 Pd1 Pd2 59.318(10) . . ?
O1 Pd1 Pd2 78.22(9) . . ?
O1 Pd1 Pd3 110.70(9) . . ?
O1 Pd1 O3 92.89(13) . . ?
O1 Pd1 O10 85.80(12) . . ?
O3 Pd1 Pd2 74.54(8) . . ?
O3 Pd1 Pd3 120.36(8) . . ?
O10 Pd1 Pd2 120.27(8) . . ?
O10 Pd1 Pd3 74.42(8) . . ?
O10 Pd1 O3 164.31(12) . . ?
O12 Pd1 Pd2 110.71(9) . . ?
O12 Pd1 Pd3 78.20(9) . . ?
O12 Pd1 O1 170.14(12) . . ?
O12 Pd1 O3 85.79(12) . . ?
O12 Pd1 O10 92.83(13) . . ?
Pd3 Pd2 Pd1 60.340(8) . . ?
O2 Pd2 Pd1 73.87(9) . . ?
O2 Pd2 Pd3 119.54(9) . . ?
O4 Pd2 Pd1 77.04(8) . . ?
O4 Pd2 Pd3 110.31(9) . . ?
O4 Pd2 O2 94.09(13) . . ?
O5 Pd2 Pd1 112.41(9) . . ?
O5 Pd2 Pd3 78.29(9) . . ?
O5 Pd2 O2 85.68(13) . . ?
O5 Pd2 O4 169.96(12) . . ?
O5 Pd2 O7 92.42(14) . . ?
O7 Pd2 Pd1 120.80(9) . . ?
O7 Pd2 Pd3 74.95(9) . . ?
O7 Pd2 O2 164.45(12) . . ?
O7 Pd2 O4 85.11(13) . . ?
Pd2 Pd3 Pd1 60.342(8) . . ?
O6 Pd3 Pd1 120.83(9) . . ?
O6 Pd3 Pd2 74.92(9) . . ?
O6 Pd3 O11 164.46(12) . . ?
O8 Pd3 Pd1 112.40(9) . . ?
O8 Pd3 Pd2 78.29(9) . . ?
O8 Pd3 O6 92.34(14) . . ?
O8 Pd3 O9 169.99(12) . . ?
O8 Pd3 O11 85.65(13) . . ?
O9 Pd3 Pd1 77.01(9) . . ?
O9 Pd3 Pd2 110.29(9) . . ?
O9 Pd3 O6 85.20(13) . . ?
O9 Pd3 O11 94.11(13) . . ?
O11 Pd3 Pd1 73.88(9) . . ?
O11 Pd3 Pd2 119.53(9) . . ?
C1 O1 Pd1 125.0(3) . . ?
C1 O2 Pd2 130.6(3) . . ?
C3 O3 Pd1 128.4(3) . . ?
C3 O4 Pd2 126.5(3) . . ?
C5 O5 Pd2 125.2(3) . . ?
C5 O6 Pd3 129.9(3) . . ?
C7 O7 Pd2 129.9(3) . . ?
C7 O8 Pd3 125.2(3) . . ?
C9 O9 Pd3 126.5(3) . . ?
C9 O10 Pd1 128.6(3) . . ?
C11 O11 Pd3 130.7(3) . . ?
C11 O12 Pd1 125.0(3) . . ?
O1 C1 C2 116.2(4) . . ?
O2 C1 O1 126.4(4) . . ?
O2 C1 C2 117.4(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 C4 116.8(4) . . ?
O4 C3 O3 126.0(4) . . ?
O4 C3 C4 117.2(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O5 C5 C6 116.5(4) . . ?
O6 C5 O5 126.4(4) . . ?
O6 C5 C6 117.1(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O7 C7 O8 126.3(4) . . ?
O7 C7 C8 117.1(4) . . ?
O8 C7 C8 116.6(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O9 C9 O10 125.8(4) . . ?
O9 C9 C10 117.2(4) . . ?
O10 C9 C10 117.0(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O11 C11 O12 126.3(4) . . ?
O11 C11 C12 117.8(4) . . ?
O12 C11 C12 115.9(4) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Pd5 Pd4 Pd6 59.316(10) . . ?
O13 Pd4 Pd5 74.26(15) . . ?
O13 Pd4 Pd6 121.25(14) . . ?
O13 Pd4 O22 85.8(2) . . ?
O15 Pd4 Pd5 78.62(15) . . ?
O15 Pd4 Pd6 109.96(17) . . ?
O15 Pd4 O13 92.4(2) . . ?
O15 Pd4 O22 171.1(2) . . ?
O22 Pd4 Pd5 109.16(17) . . ?
O22 Pd4 Pd6 78.28(15) . . ?
O24 Pd4 Pd5 121.25(14) . . ?
O24 Pd4 Pd6 74.35(14) . . ?
O24 Pd4 O13 163.6(2) . . ?
O24 Pd4 O15 86.1(2) . . ?
O24 Pd4 O22 93.2(2) . . ?
O13A Pd4 Pd5 78.63(15) . . ?
O13A Pd4 Pd6 110.10(17) . . ?
O13A Pd4 O15A 92.4(2) . . ?
O13A Pd4 O24A 170.9(2) . . ?
O15A Pd4 Pd5 74.37(15) . . ?
O15A Pd4 Pd6 121.28(14) . . ?
O15A Pd4 O24A 85.6(3) . . ?
O22A Pd4 Pd5 121.23(15) . . ?
O22A Pd4 Pd6 74.41(15) . . ?
O22A Pd4 O13A 86.1(2) . . ?
O22A Pd4 O15A 163.5(2) . . ?
O22A Pd4 O24A 93.3(2) . . ?
O24A Pd4 Pd5 109.22(17) . . ?
O24A Pd4 Pd6 78.37(16) . . ?
Pd6 Pd5 Pd4 60.406(8) . . ?
O14 Pd5 Pd4 77.12(18) . . ?
O14 Pd5 Pd6 110.2(2) . . ?
O14 Pd5 O16 94.2(3) . . ?
O14 Pd5 O19 170.8(3) . . ?
O16 Pd5 Pd4 73.84(17) . . ?
O16 Pd5 Pd6 119.67(17) . . ?
O16 Pd5 O19 85.0(3) . . ?
O17 Pd5 Pd4 122.24(17) . . ?
O17 Pd5 Pd6 75.24(17) . . ?
O17 Pd5 O14 86.4(3) . . ?
O17 Pd5 O16 163.4(2) . . ?
O17 Pd5 O19 91.7(3) . . ?
O19 Pd5 Pd4 111.33(18) . . ?
O19 Pd5 Pd6 77.95(17) . . ?
O14A Pd5 Pd4 73.90(18) . . ?
O14A Pd5 Pd6 119.66(17) . . ?
O14A Pd5 O17A 84.9(3) . . ?
O16A Pd5 Pd4 77.20(18) . . ?
O16A Pd5 Pd6 110.32(19) . . ?
O16A Pd5 O14A 94.2(3) . . ?
O16A Pd5 O17A 170.7(3) . . ?
O17A Pd5 Pd4 111.27(18) . . ?
O17A Pd5 Pd6 77.90(17) . . ?
O19A Pd5 Pd4 122.21(17) . . ?
O19A Pd5 Pd6 75.29(17) . . ?
O19A Pd5 O14A 163.4(2) . . ?
O19A Pd5 O16A 86.3(3) . . ?
O19A Pd5 O17A 91.9(3) . . ?
Pd5 Pd6 Pd4 60.278(8) . . ?
O18 Pd6 Pd4 111.12(19) . . ?
O18 Pd6 Pd5 77.81(17) . . ?
O20 Pd6 Pd4 122.05(18) . . ?
O20 Pd6 Pd5 75.24(18) . . ?
O20 Pd6 O18 91.9(3) . . ?
O20 Pd6 O21 163.4(3) . . ?
O20 Pd6 O23 86.6(3) . . ?
O21 Pd6 Pd4 74.07(19) . . ?
O21 Pd6 Pd5 119.68(17) . . ?
O21 Pd6 O18 84.9(3) . . ?
O23 Pd6 Pd4 76.86(18) . . ?
O23 Pd6 Pd5 110.12(19) . . ?
O23 Pd6 O18 171.2(3) . . ?
O23 Pd6 O21 94.1(3) . . ?
O18A Pd6 Pd4 122.00(17) . . ?
O18A Pd6 Pd5 75.41(17) . . ?
O18A Pd6 O20A 92.0(3) . . ?
O18A Pd6 O21A 86.4(3) . . ?
O18A Pd6 O23A 163.5(3) . . ?
O20A Pd6 Pd4 111.46(19) . . ?
O20A Pd6 Pd5 77.94(17) . . ?
O21A Pd6 Pd4 76.87(19) . . ?
O21A Pd6 Pd5 110.2(2) . . ?
O21A Pd6 O20A 170.9(3) . . ?
O21A Pd6 O23A 94.1(3) . . ?
O23A Pd6 Pd4 73.98(19) . . ?
O23A Pd6 Pd5 119.51(17) . . ?
O23A Pd6 O20A 85.0(3) . . ?
O13 C13 C14 119.2(4) . . ?
O13 C13 O14 125.2(5) . . ?
O14 C13 C14 115.4(4) . . ?
O13A C13 C14 114.0(4) . . ?
O14A C13 C14 119.4(5) . . ?
O14A C13 O13A 126.5(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 . . ?
O15 C15 C16 113.9(4) . . ?
O16 C15 C16 119.3(5) . . ?
O16 C15 O15 126.7(5) . . ?
O15A C15 C16 118.9(4) . . ?
O15A C15 O16A 125.6(5) . . ?
O16A C15 C16 115.4(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O17 C17 C18 118.6(4) . . ?
O17 C17 O18 126.8(5) . . ?
O18 C17 C18 114.6(4) . . ?
O17A C17 C18 115.2(4) . . ?
O18A C17 C18 117.8(4) . . ?
O18A C17 O17A 127.0(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O19 C19 C20 115.1(4) . . ?
O20 C19 C20 118.2(4) . . ?
O20 C19 O19 126.7(5) . . ?
O19A C19 C20 118.6(4) . . ?
O19A C19 O20A 126.8(5) . . ?
O20A C19 C20 114.6(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O21 C21 C22 119.4(5) . . ?
O21 C21 O22 127.1(5) . . ?
O22 C21 C22 113.4(4) . . ?
O21A C21 C22 116.1(4) . . ?
O22A C21 C22 118.8(4) . . ?
O22A C21 O21A 124.9(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O23 C23 C24 116.0(4) . . ?
O24 C23 C24 118.7(4) . . ?
O24 C23 O23 125.0(5) . . ?
O23A C23 C24 119.6(5) . . ?
O23A C23 O24A 127.0(5) . . ?
O24A C23 C24 113.3(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C13 O13 Pd4 128.4(4) . . ?
C13 O14 Pd5 125.1(4) . . ?
C15 O15 Pd4 122.7(4) . . ?
C15 O16 Pd5 131.1(4) . . ?
C17 O17 Pd5 129.1(4) . . ?
C17 O18 Pd6 123.4(4) . . ?
C19 O19 Pd5 123.4(4) . . ?
C19 O20 Pd6 129.4(5) . . ?
C21 O21 Pd6 130.6(5) . . ?
C21 O22 Pd4 122.4(4) . . ?
C23 O23 Pd6 125.8(4) . . ?
C23 O24 Pd4 128.2(4) . . ?
C13 O13A Pd4 122.9(4) . . ?
C13 O14A Pd5 131.3(5) . . ?
C15 O15A Pd4 128.2(4) . . ?
C15 O16A Pd5 124.9(4) . . ?
C17 O17A Pd5 123.3(4) . . ?
C17 O18A Pd6 129.2(4) . . ?
C19 O19A Pd5 129.3(4) . . ?
C19 O20A Pd6 123.4(4) . . ?
C21 O21A Pd6 126.0(4) . . ?
C21 O22A Pd4 128.3(4) . . ?
C23 O23A Pd6 131.0(5) . . ?
C23 O24A Pd4 122.3(4) . . ?
C26 C25 C27 117.8(3) . 3_567 ?
C26 C25 I1 120.1(3) . . ?
C26 C25 I1A 140.5(3) . . ?
C27 C25 I1 122.1(3) 3_567 . ?
C27 C25 I1A 101.7(3) 3_567 . ?
F1 C26 C25 119.8(3) . . ?
F1 C26 C27 118.8(3) . . ?
C27 C26 C25 121.5(3) . . ?
F2 C27 C25 120.6(3) . 3_567 ?
F2 C27 C26 118.7(3) . . ?
C26 C27 C25 120.7(3) . 3_567 ?
C29 C28 I2 122.2(3) . . ?
C29 C28 I2A 101.8(3) . . ?
C30 C28 C29 117.8(3) . . ?
C30 C28 I2 120.0(3) . . ?
C30 C28 I2A 140.4(3) . . ?
F4 C29 C28 120.4(3) . . ?
F4 C29 C30 118.9(3) . 3_666 ?
C30 C29 C28 120.8(3) 3_666 . ?
F3 C30 C28 119.8(3) . . ?
F3 C30 C29 118.7(3) . 3_666 ?
C29 C30 C28 121.5(3) 3_666 . ?
C32 C31 C33 117.6(3) . . ?
C32 C31 I3 128.8(3) . . ?
C32 C31 I3A 113.7(3) . . ?
C33 C31 I3 113.5(3) . . ?
C33 C31 I3A 128.7(3) . . ?
F5 C32 C31 119.7(4) . . ?
F5 C32 C33 119.1(4) . 3_556 ?
C33 C32 C31 121.2(4) 3_556 . ?
F6 C33 C31 119.9(4) . . ?
F6 C33 C32 118.9(4) . 3_556 ?
C32 C33 C31 121.2(4) 3_556 . ?
C35 C34 C36 117.7(4) . . ?
C35 C34 I4 129.0(3) . . ?
C35 C34 I4A 113.4(3) . . ?
C36 C34 I4 113.3(3) . . ?
C36 C34 I4A 128.9(3) . . ?
F7 C35 C34 120.0(4) . . ?
F7 C35 C36 118.8(4) . 3_566 ?
C36 C35 C34 121.1(4) 3_566 . ?
F8 C36 C34 120.0(4) . . ?
F8 C36 C35 118.7(4) . 3_566 ?
C35 C36 C34 121.2(4) 3_566 . ?

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
Pd1 O1 C1 O2 14.0(6) . . . . ?
Pd1 O1 C1 C2 -167.0(3) . . . . ?
Pd1 O3 C3 O4 21.1(6) . . . . ?
Pd1 O3 C3 C4 -158.6(3) . . . . ?
Pd1 O10 C9 O9 21.1(6) . . . . ?
Pd1 O10 C9 C10 -158.5(3) . . . . ?
Pd1 O12 C11 O11 13.8(6) . . . . ?
Pd1 O12 C11 C12 -167.1(3) . . . . ?
Pd2 O2 C1 O1 13.9(6) . . . . ?
Pd2 O2 C1 C2 -165.1(3) . . . . ?
Pd2 O4 C3 O3 10.0(6) . . . . ?
Pd2 O4 C3 C4 -170.3(3) . . . . ?
Pd2 O5 C5 O6 13.9(7) . . . . ?
Pd2 O5 C5 C6 -166.7(4) . . . . ?
Pd2 O7 C7 O8 12.5(8) . . . . ?
Pd2 O7 C7 C8 -167.3(4) . . . . ?
Pd3 O6 C5 O5 12.4(8) . . . . ?
Pd3 O6 C5 C6 -167.1(4) . . . . ?
Pd3 O8 C7 O7 13.6(7) . . . . ?
Pd3 O8 C7 C8 -166.6(4) . . . . ?
Pd3 O9 C9 O10 10.1(6) . . . . ?
Pd3 O9 C9 C10 -170.3(3) . . . . ?
Pd3 O11 C11 O12 14.1(6) . . . . ?
Pd3 O11 C11 C12 -165.0(3) . . . . ?
C14 C13 O13 Pd4 -157.6(4) . . . . ?
C14 C13 O14 Pd5 -167.9(4) . . . . ?
C14 C13 O13A Pd4 167.4(3) . . . . ?
C14 C13 O14A Pd5 163.0(4) . . . . ?
C16 C15 O15 Pd4 -167.0(3) . . . . ?
C16 C15 O16 Pd5 -163.0(4) . . . . ?
C16 C15 O15A Pd4 157.9(4) . . . . ?
C16 C15 O16A Pd5 168.0(4) . . . . ?
C18 C17 O17 Pd5 -164.2(5) . . . . ?
C18 C17 O18 Pd6 -164.9(4) . . . . ?
C18 C17 O17A Pd5 165.2(4) . . . . ?
C18 C17 O18A Pd6 164.8(5) . . . . ?
C20 C19 O19 Pd5 -165.2(4) . . . . ?
C20 C19 O20 Pd6 -164.3(5) . . . . ?
C20 C19 O19A Pd5 164.4(5) . . . . ?
C20 C19 O20A Pd6 165.5(4) . . . . ?
C22 C21 O21 Pd6 -162.7(4) . . . . ?
C22 C21 O22 Pd4 -166.4(3) . . . . ?
C22 C21 O21A Pd6 168.9(4) . . . . ?
C22 C21 O22A Pd4 157.4(4) . . . . ?
C24 C23 O23 Pd6 -168.7(4) . . . . ?
C24 C23 O24 Pd4 -157.2(4) . . . . ?
C24 C23 O23A Pd6 162.9(4) . . . . ?
C24 C23 O24A Pd4 166.4(3) . . . . ?
O13 C13 O14 Pd5 6.7(9) . . . . ?
O14 C13 O13 Pd4 27.9(9) . . . . ?
O15 C15 O16 Pd5 14.9(9) . . . . ?
O16 C15 O15 Pd4 15.0(8) . . . . ?
O17 C17 O18 Pd6 13.3(10) . . . . ?
O18 C17 O17 Pd5 17.6(11) . . . . ?
O19 C19 O20 Pd6 17.0(11) . . . . ?
O20 C19 O19 Pd5 13.5(10) . . . . ?
O21 C21 O22 Pd4 16.9(8) . . . . ?
O22 C21 O21 Pd6 13.7(10) . . . . ?
O23 C23 O24 Pd4 28.1(8) . . . . ?
O24 C23 O23 Pd6 6.1(9) . . . . ?
O13A C13 O14A Pd5 -14.8(10) . . . . ?
O14A C13 O13A Pd4 -14.7(8) . . . . ?
O15A C15 O16A Pd5 -6.7(9) . . . . ?
O16A C15 O15A Pd4 -27.5(9) . . . . ?
O17A C17 O18A Pd6 -15.9(11) . . . . ?
O18A C17 O17A Pd5 -14.1(10) . . . . ?
O19A C19 O20A Pd6 -12.5(10) . . . . ?
O20A C19 O19A Pd5 -17.7(11) . . . . ?
O21A C21 O22A Pd4 -27.9(9) . . . . ?
O22A C21 O21A Pd6 -6.0(9) . . . . ?
O23A C23 O24A Pd4 -16.9(8) . . . . ?
O24A C23 O23A Pd6 -13.6(10) . . . . ?
F1 C26 C27 F2 0.5(5) . . . . ?
F1 C26 C27 C25 -179.7(3) . . . 3_567 ?
C25 C26 C27 F2 179.8(3) . . . . ?
C25 C26 C27 C25 -0.3(6) . . . 3_567 ?
C27 C25 C26 F1 179.7(3) 3_567 . . . ?
C27 C25 C26 C27 0.3(6) 3_567 . . . ?
I1 C25 C26 F1 -0.2(5) . . . . ?
I1 C25 C26 C27 -179.5(3) . . . . ?
I1A C25 C26 F1 -1.9(7) . . . . ?
I1A C25 C26 C27 178.7(4) . . . . ?
C29 C28 C30 F3 -179.8(3) . . . . ?
C29 C28 C30 C29 -0.3(6) . . . 3_666 ?
C30 C28 C29 F4 -179.9(3) . . . . ?
C30 C28 C29 C30 0.3(6) . . . 3_666 ?
I2 C28 C29 F4 0.3(5) . . . . ?
I2 C28 C29 C30 -179.4(3) . . . 3_666 ?
I2 C28 C30 F3 -0.1(5) . . . . ?
I2 C28 C30 C29 179.4(3) . . . 3_666 ?
I2A C28 C29 F4 -1.3(4) . . . . ?
I2A C28 C29 C30 179.0(3) . . . 3_666 ?
I2A C28 C30 F3 2.2(7) . . . . ?
I2A C28 C30 C29 -178.3(4) . . . 3_666 ?
C32 C31 C33 F6 179.8(4) . . . . ?
C32 C31 C33 C32 0.4(6) . . . 3_556 ?
C33 C31 C32 F5 -179.9(3) . . . . ?
C33 C31 C32 C33 -0.4(6) . . . 3_556 ?
I3 C31 C32 F5 0.1(6) . . . . ?
I3 C31 C32 C33 179.6(3) . . . 3_556 ?
I3 C31 C33 F6 -0.2(5) . . . . ?
I3 C31 C33 C32 -179.6(3) . . . 3_556 ?
I3A C31 C32 F5 0.1(5) . . . . ?
I3A C31 C32 C33 179.6(3) . . . 3_556 ?
I3A C31 C33 F6 -0.2(6) . . . . ?
I3A C31 C33 C32 -179.6(3) . . . 3_556 ?
C35 C34 C36 F8 179.8(4) . . . . ?
C35 C34 C36 C35 0.1(6) . . . 3_566 ?
C36 C34 C35 F7 -179.9(4) . . . . ?
C36 C34 C35 C36 -0.1(6) . . . 3_566 ?
I4 C34 C35 F7 0.5(6) . . . . ?
I4 C34 C35 C36 -179.7(3) . . . 3_566 ?
I4 C34 C36 F8 -0.5(5) . . . . ?
I4 C34 C36 C35 179.8(3) . . . 3_566 ?
I4A C34 C35 F7 0.5(5) . . . . ?
I4A C34 C35 C36 -179.8(3) . . . 3_566 ?
I4A C34 C36 F8 -0.5(6) . . . . ?
I4A C34 C36 C35 179.7(3) . . . 3_566 ?

_olex2_submission_special_instructions 'No special instructions were received'
