# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_p
_database_code_depnum_ccdc_archive 'CCDC 1438574'
_audit_update_record             
;
2017-03-29 deposited with the CCDC.
2017-08-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'tris-(palladium acetylacetonate)bis-(lead hexafluoroacetylacetonate)'
_chemical_name_common            3Pd(aa)2*2Pb(hfa)2
_chemical_melting_point          473
_chemical_formula_moiety         'C12.50 H11.50 F6 O5 Pb0.50 Pd0.75'
_chemical_formula_sum            'C12.50 H11.50 F6 O5 Pb0.50 Pd0.75'
_chemical_formula_weight         539.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8740(3)
_cell_length_b                   13.2443(4)
_cell_length_c                   14.6006(4)
_cell_angle_alpha                74.679(2)
_cell_angle_beta                 72.7640(10)
_cell_angle_gamma                69.4460(10)
_cell_volume                     1679.93(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9868
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      33.39

_exptl_crystal_description       prizm
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1024
_exptl_absorpt_coefficient_mu    5.915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2313
_exptl_absorpt_correction_T_max  0.4707
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 25
_diffrn_reflns_number            33793
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.26
_diffrn_reflns_theta_max         33.41
_reflns_number_total             12793
_reflns_number_gt                12021
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'local programs'
_computing_publication_material  'local programs'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0104P)²+0.9812P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12793
_refine_ls_number_parameters     481
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0207
_refine_ls_wR_factor_ref         0.0504
_refine_ls_wR_factor_gt          0.0494
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.655795(7) 0.172864(5) 0.267802(4) 0.02031(2) Uani 1 1 d . . .
Pd1 Pd 0.5000 0.0000 0.5000 0.01482(3) Uani 1 2 d S . .
Pd2 Pd 0.871283(14) -0.065526(11) 0.435429(9) 0.01893(3) Uani 1 1 d . . .
O1 O 0.43868(14) 0.15981(10) 0.44474(9) 0.0196(2) Uani 1 1 d . . .
O2 O 0.53829(14) -0.02062(11) 0.36346(9) 0.0192(2) Uani 1 1 d . . .
C1 C 0.38338(19) 0.23409(15) 0.49810(13) 0.0200(3) Uani 1 1 d . . .
C2 C 0.3724(2) 0.21640(15) 0.59822(14) 0.0224(3) Uani 1 1 d . . .
H2 H 0.3327 0.2798 0.6276 0.029 Uiso 1 1 calc R . .
C3 C 0.58687(19) -0.11585(15) 0.33964(13) 0.0196(3) Uani 1 1 d . . .
C4 C 0.3268(2) 0.34852(17) 0.44458(16) 0.0303(4) Uani 1 1 d . . .
H4A H 0.4075 0.3675 0.3923 0.039 Uiso 1 1 calc R . .
H4B H 0.2901 0.4001 0.4900 0.039 Uiso 1 1 calc R . .
H4C H 0.2458 0.3526 0.4166 0.039 Uiso 1 1 calc R . .
C5 C 0.5991(3) -0.11677(18) 0.23492(14) 0.0286(4) Uani 1 1 d . . .
H5A H 0.5111 -0.1306 0.2290 0.037 Uiso 1 1 calc R . .
H5B H 0.6882 -0.1747 0.2121 0.037 Uiso 1 1 calc R . .
H5C H 0.6061 -0.0457 0.1953 0.037 Uiso 1 1 calc R . .
O3 O 0.80225(15) 0.09470(11) 0.43827(10) 0.0229(2) Uani 1 1 d . . .
O4 O 0.85470(16) -0.11277(13) 0.57754(10) 0.0265(3) Uani 1 1 d . . .
O5 O 0.89202(15) -0.02268(11) 0.29083(9) 0.0226(2) Uani 1 1 d . . .
O6 O 0.94665(15) -0.22535(12) 0.43468(10) 0.0249(3) Uani 1 1 d . . .
C6 C 0.8187(2) -0.04611(19) 0.63540(14) 0.0269(4) Uani 1 1 d . . .
C7 C 0.7853(2) 0.06826(18) 0.60996(14) 0.0265(4) Uani 1 1 d . . .
H7 H 0.7649 0.1069 0.6611 0.034 Uiso 1 1 calc R . .
C8 C 0.77882(19) 0.13106(17) 0.51748(14) 0.0236(3) Uani 1 1 d . . .
C9 C 0.7450(2) 0.25314(18) 0.50383(17) 0.0313(4) Uani 1 1 d . . .
H9A H 0.8353 0.2740 0.4689 0.041 Uiso 1 1 calc R . .
H9B H 0.7093 0.2757 0.5677 0.041 Uiso 1 1 calc R . .
H9C H 0.6684 0.2894 0.4660 0.041 Uiso 1 1 calc R . .
C10 C 0.8161(3) -0.0998(2) 0.74063(16) 0.0414(6) Uani 1 1 d . . .
H10A H 0.7487 -0.1452 0.7623 0.054 Uiso 1 1 calc R . .
H10B H 0.7816 -0.0432 0.7810 0.054 Uiso 1 1 calc R . .
H10C H 0.9164 -0.1459 0.7469 0.054 Uiso 1 1 calc R . .
C11 C 0.9578(2) -0.09276(16) 0.23272(13) 0.0234(3) Uani 1 1 d . . .
C12 C 1.0138(2) -0.20537(17) 0.26078(15) 0.0284(4) Uani 1 1 d . . .
H12 H 1.0636 -0.2466 0.2098 0.037 Uiso 1 1 calc R . .
C13 C 1.0045(2) -0.26484(17) 0.35651(15) 0.0261(4) Uani 1 1 d . . .
C14 C 0.9705(3) -0.04417(19) 0.12661(14) 0.0311(4) Uani 1 1 d . . .
H14A H 0.8712 -0.0133 0.1128 0.040 Uiso 1 1 calc R . .
H14B H 1.0304 -0.1013 0.0876 0.040 Uiso 1 1 calc R . .
H14C H 1.0181 0.0139 0.1100 0.040 Uiso 1 1 calc R . .
C15 C 1.0659(3) -0.38781(19) 0.37207(19) 0.0404(5) Uani 1 1 d . . .
H15A H 1.0564 -0.4171 0.4420 0.053 Uiso 1 1 calc R . .
H15B H 1.1709 -0.4087 0.3385 0.053 Uiso 1 1 calc R . .
H15C H 1.0104 -0.4178 0.3459 0.053 Uiso 1 1 calc R . .
O7 O 0.4581(2) 0.32335(15) 0.20999(12) 0.0391(4) Uani 1 1 d . . .
O8 O 0.62202(18) 0.13314(13) 0.12021(11) 0.0311(3) Uani 1 1 d . . .
O9 O 0.67224(19) 0.34651(13) 0.29040(11) 0.0332(3) Uani 1 1 d . . .
O10 O 0.84903(18) 0.22379(13) 0.13610(11) 0.0320(3) Uani 1 1 d . . .
C16 C 0.4231(3) 0.3564(2) 0.12942(16) 0.0331(4) Uani 1 1 d . . .
C17 C 0.4678(3) 0.3022(2) 0.05121(17) 0.0401(5) Uani 1 1 d . . .
H17 H 0.4341 0.3399 -0.0067 0.052 Uiso 1 1 calc R . .
C18 C 0.5603(2) 0.19441(18) 0.05442(14) 0.0261(4) Uani 1 1 d . . .
C19 C 0.3100(4) 0.4710(3) 0.1211(2) 0.0563(8) Uani 1 1 d . . .
C20 C 0.5868(3) 0.1442(2) -0.03557(16) 0.0363(5) Uani 1 1 d . . .
C21 C 0.7477(3) 0.40791(18) 0.24012(15) 0.0308(4) Uani 1 1 d . . .
C22 C 0.8622(3) 0.39252(18) 0.15672(16) 0.0328(4) Uani 1 1 d . . .
H22 H 0.9137 0.4460 0.1290 0.043 Uiso 1 1 calc R . .
C23 C 0.9029(2) 0.30192(17) 0.11313(14) 0.0253(4) Uani 1 1 d . . .
C24 C 0.7064(4) 0.5165(2) 0.2764(2) 0.0531(8) Uani 1 1 d . . .
C25 C 1.0322(3) 0.29202(19) 0.02208(16) 0.0340(5) Uani 1 1 d . . .
F1 F 0.3459(3) 0.53956(15) 0.15385(16) 0.0703(6) Uani 1 1 d . . .
F2 F 0.3006(3) 0.51683(18) 0.02858(15) 0.0939(10) Uani 1 1 d . . .
F3 F 0.1772(2) 0.4678(2) 0.17292(19) 0.0809(7) Uani 1 1 d . . .
F4 F 0.4611(2) 0.1376(2) -0.04504(16) 0.0740(7) Uani 1 1 d . . .
F5 F 0.6792(2) 0.04339(16) -0.02996(14) 0.0636(5) Uani 1 1 d . . .
F6 F 0.6442(3) 0.20153(19) -0.11678(13) 0.0802(7) Uani 1 1 d . . .
F7 F 0.6017(14) 0.5916(5) 0.2360(11) 0.126(3) Uani 0.50 1 d P . .
F8 F 0.6560(17) 0.5100(6) 0.3659(4) 0.112(5) Uani 0.50 1 d P . .
F9 F 0.8134(9) 0.5620(7) 0.2497(8) 0.102(4) Uani 0.50 1 d P . .
F7A F 0.7802(16) 0.4948(7) 0.3499(8) 0.131(4) Uani 0.50 1 d P . .
F8A F 0.5717(11) 0.5478(8) 0.3217(11) 0.126(4) Uani 0.50 1 d P . .
F9A F 0.7429(17) 0.5932(6) 0.2186(6) 0.126(5) Uani 0.50 1 d P . .
F10 F 0.9855(2) 0.29701(17) -0.05568(11) 0.0602(5) Uani 1 1 d . . .
F11 F 1.0983(3) 0.36923(17) 0.00030(15) 0.0748(7) Uani 1 1 d . . .
F12 F 1.13458(18) 0.19638(15) 0.03322(13) 0.0598(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 O10 2.4160(14) . ?
Pb1 O7 2.4192(16) . ?
Pb1 O9 2.4737(15) . ?
Pb1 O8 2.4860(15) . ?
Pd1 O2 1.9900(12) 2_656 ?
Pd1 O2 1.9900(12) . ?
Pd1 O1 1.9961(13) 2_656 ?
Pd1 O1 1.9961(13) . ?
Pd2 O4 1.9769(14) . ?
Pd2 O6 1.9839(15) . ?
Pd2 O3 1.9958(14) . ?
Pd2 O5 2.0033(13) . ?
O1 C1 1.284(2) . ?
O2 C3 1.285(2) . ?
C1 C2 1.395(3) . ?
C1 C4 1.503(3) . ?
C2 C3 1.400(3) 2_656 ?
C3 C2 1.400(3) 2_656 ?
C3 C5 1.501(3) . ?
O3 C8 1.296(2) . ?
O4 C6 1.271(3) . ?
O5 C11 1.292(2) . ?
O6 C13 1.273(2) . ?
C6 C7 1.402(3) . ?
C6 C10 1.510(3) . ?
C7 C8 1.393(3) . ?
C8 C9 1.502(3) . ?
C11 C12 1.389(3) . ?
C11 C14 1.498(3) . ?
C12 C13 1.405(3) . ?
C13 C15 1.505(3) . ?
O7 C16 1.248(3) . ?
O8 C18 1.241(3) . ?
O9 C21 1.242(3) . ?
O10 C23 1.251(2) . ?
C16 C17 1.388(3) . ?
C16 C19 1.535(4) . ?
C17 C18 1.396(3) . ?
C18 C20 1.541(3) . ?
C19 F3 1.315(4) . ?
C19 F1 1.317(4) . ?
C19 F2 1.343(3) . ?
C20 F6 1.316(3) . ?
C20 F4 1.323(3) . ?
C20 F5 1.324(3) . ?
C21 C22 1.398(3) . ?
C21 C24 1.542(3) . ?
C22 C23 1.385(3) . ?
C23 C25 1.543(3) . ?
C24 F9A 1.223(6) . ?
C24 F8 1.244(6) . ?
C24 F8A 1.271(8) . ?
C24 F9 1.307(7) . ?
C24 F7 1.318(7) . ?
C24 F7A 1.386(8) . ?
C25 F12 1.320(3) . ?
C25 F11 1.322(3) . ?
C25 F10 1.325(3) . ?
F7 F8A 1.228(12) . ?
F7 F9A 1.348(12) . ?
F8 F8A 1.102(12) . ?
F8 F7A 1.132(12) . ?
F9 F9A 0.864(14) . ?
F9 F7A 1.508(12) . ?

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
O10 Pb1 O7 94.05(6) . . ?
O10 Pb1 O9 72.57(5) . . ?
O7 Pb1 O9 70.93(6) . . ?
O10 Pb1 O8 74.78(6) . . ?
O7 Pb1 O8 71.97(5) . . ?
O9 Pb1 O8 127.76(5) . . ?
O2 Pd1 O2 180.0 2_656 . ?
O2 Pd1 O1 84.93(5) 2_656 2_656 ?
O2 Pd1 O1 95.07(5) . 2_656 ?
O2 Pd1 O1 95.07(5) 2_656 . ?
O2 Pd1 O1 84.93(5) . . ?
O1 Pd1 O1 179.999(1) 2_656 . ?
O4 Pd2 O6 83.60(6) . . ?
O4 Pd2 O3 95.34(6) . . ?
O6 Pd2 O3 177.74(5) . . ?
O4 Pd2 O5 178.12(6) . . ?
O6 Pd2 O5 94.57(6) . . ?
O3 Pd2 O5 86.48(6) . . ?
C1 O1 Pd1 122.74(12) . . ?
C3 O2 Pd1 122.49(11) . . ?
O1 C1 C2 125.69(17) . . ?
O1 C1 C4 114.82(16) . . ?
C2 C1 C4 119.48(16) . . ?
C1 C2 C3 127.42(17) . 2_656 ?
O2 C3 C2 126.20(16) . 2_656 ?
O2 C3 C5 115.52(16) . . ?
C2 C3 C5 118.28(16) 2_656 . ?
C8 O3 Pd2 121.64(13) . . ?
C6 O4 Pd2 123.06(13) . . ?
C11 O5 Pd2 122.55(12) . . ?
C13 O6 Pd2 122.84(13) . . ?
O4 C6 C7 126.41(18) . . ?
O4 C6 C10 114.4(2) . . ?
C7 C6 C10 119.2(2) . . ?
C8 C7 C6 126.79(19) . . ?
O3 C8 C7 126.41(19) . . ?
O3 C8 C9 114.45(17) . . ?
C7 C8 C9 119.13(18) . . ?
O5 C11 C12 125.77(18) . . ?
O5 C11 C14 114.75(17) . . ?
C12 C11 C14 119.48(18) . . ?
C11 C12 C13 126.94(19) . . ?
O6 C13 C12 126.51(19) . . ?
O6 C13 C15 114.48(19) . . ?
C12 C13 C15 119.0(2) . . ?
C16 O7 Pb1 132.72(15) . . ?
C18 O8 Pb1 130.88(14) . . ?
C21 O9 Pb1 132.11(14) . . ?
C23 O10 Pb1 134.01(13) . . ?
O7 C16 C17 128.8(2) . . ?
O7 C16 C19 113.1(2) . . ?
C17 C16 C19 118.0(2) . . ?
C16 C17 C18 122.5(2) . . ?
O8 C18 C17 129.00(19) . . ?
O8 C18 C20 115.7(2) . . ?
C17 C18 C20 115.27(19) . . ?
F3 C19 F1 106.6(3) . . ?
F3 C19 F2 108.6(3) . . ?
F1 C19 F2 105.9(3) . . ?
F3 C19 C16 111.2(3) . . ?
F1 C19 C16 111.8(2) . . ?
F2 C19 C16 112.5(2) . . ?
F6 C20 F4 108.2(2) . . ?
F6 C20 F5 106.3(2) . . ?
F4 C20 F5 106.4(2) . . ?
F6 C20 C18 112.3(2) . . ?
F4 C20 C18 110.83(18) . . ?
F5 C20 C18 112.6(2) . . ?
O9 C21 C22 129.4(2) . . ?
O9 C21 C24 113.9(2) . . ?
C22 C21 C24 116.6(2) . . ?
C23 C22 C21 122.18(19) . . ?
O10 C23 C22 129.41(19) . . ?
O10 C23 C25 112.55(18) . . ?
C22 C23 C25 118.04(18) . . ?
F9A C24 F8 127.4(5) . . ?
F9A C24 F8A 110.7(7) . . ?
F8 C24 F8A 52.0(6) . . ?
F9A C24 F9 39.8(7) . . ?
F8 C24 F9 109.5(7) . . ?
F8A C24 F9 132.3(5) . . ?
F9A C24 F7 64.0(6) . . ?
F8 C24 F7 105.6(7) . . ?
F8A C24 F7 56.6(6) . . ?
F9 C24 F7 102.6(6) . . ?
F9A C24 F7A 104.6(7) . . ?
F8 C24 F7A 50.6(5) . . ?
F8A C24 F7A 101.5(7) . . ?
F9 C24 F7A 68.0(6) . . ?
F7 C24 F7A 142.3(5) . . ?
F9A C24 C21 117.9(4) . . ?
F8 C24 C21 114.0(4) . . ?
F8A C24 C21 113.4(4) . . ?
F9 C24 C21 114.2(4) . . ?
F7 C24 C21 110.1(4) . . ?
F7A C24 C21 106.9(4) . . ?
F12 C25 F11 107.6(2) . . ?
F12 C25 F10 106.1(2) . . ?
F11 C25 F10 107.0(2) . . ?
F12 C25 C23 110.95(18) . . ?
F11 C25 C23 113.8(2) . . ?
F10 C25 C23 111.0(2) . . ?
F8A F7 C24 59.8(5) . . ?
F8A F7 F9A 105.5(8) . . ?
C24 F7 F9A 54.6(4) . . ?
F8A F8 F7A 134.2(10) . . ?
F8A F8 C24 65.2(5) . . ?
F7A F8 C24 71.2(6) . . ?
F9A F9 C24 64.9(6) . . ?
F9A F9 F7A 118.7(10) . . ?
C24 F9 F7A 58.5(5) . . ?
F8 F7A C24 58.2(5) . . ?
F8 F7A F9 103.3(8) . . ?
C24 F7A F9 53.5(4) . . ?
F8 F8A F7 122.2(10) . . ?
F8 F8A C24 62.8(6) . . ?
F7 F8A C24 63.6(5) . . ?
F9 F9A C24 75.4(7) . . ?
F9 F9A F7 134.4(10) . . ?
C24 F9A F7 61.4(5) . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        25.25
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.351
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.099
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
####################################################################### 
# 
# 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_v
_database_code_depnum_ccdc_archive 'CCDC 1438575'
_audit_update_record             
;
2015-11-24 deposited with the CCDC.
2017-08-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'heterometallic Pd/Pb complex'
_chemical_name_common            
palladium(II)hexafluoroacetylacetonate-lead(II)hexafluoroacetylacetonate
_chemical_melting_point          -
_chemical_formula_moiety         '[Pd(hfa)2*Pb(hfa)2]n'
_chemical_formula_sum            'C20 H4 F24 O8 Pb Pd'
_chemical_formula_weight         1141.82

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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  -P_1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4437(16)
_cell_length_b                   11.538(2)
_cell_length_c                   14.995(3)
_cell_angle_alpha                91.519(5)
_cell_angle_beta                 91.672(5)
_cell_angle_gamma                97.940(5)
_cell_volume                     1616.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9628
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      30.62

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    5.937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4318
_exptl_absorpt_correction_T_max  0.8420
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker X8 Apex'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         29916
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  1
_diffrn_standards_decay_%        0
_diffrn_reflns_number            29916
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_sigmaI/netI    0.1246
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         30.62
_reflns_number_total             9628
_reflns_number_gt                4305
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0765P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9628
_refine_ls_number_parameters     484
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1667
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1508
_refine_ls_wR_factor_gt          0.1241
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_restrained_S_all      0.871
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.02392(4) 0.09872(3) 0.25168(2) 0.05255(13) Uani 1 1 d . . .
Pd1 Pd 0.0000 0.0000 0.5000 0.0454(2) Uani 1 2 d S . .
Pd2 Pd 0.0000 0.0000 0.0000 0.0458(2) Uani 1 2 d S . .
O1 O -0.1099(7) 0.1729(6) 0.1289(4) 0.0690(18) Uani 1 1 d . . .
O2 O -0.0848(7) 0.2488(5) 0.3158(4) 0.0601(16) Uani 1 1 d . . .
O3 O 0.1819(7) 0.1692(5) 0.3773(4) 0.0605(16) Uani 1 1 d . . .
O4 O 0.1795(7) 0.2564(6) 0.1987(4) 0.0657(17) Uani 1 1 d . . .
O5 O -0.1553(6) 0.0237(5) 0.4123(3) 0.0525(14) Uani 1 1 d . . .
O6 O 0.0689(6) -0.0969(5) 0.4035(3) 0.0542(14) Uani 1 1 d . . .
O7 O -0.0892(7) -0.1002(5) 0.0944(3) 0.0542(14) Uani 1 1 d . . .
O8 O 0.1698(6) 0.0272(5) 0.0831(4) 0.0538(14) Uani 1 1 d . . .
C1 C -0.1469(12) 0.2709(9) 0.1229(6) 0.068(3) Uani 1 1 d . . .
C2 C -0.1599(13) 0.3526(9) 0.1907(7) 0.079(3) Uani 1 1 d . . .
H2 H -0.1910 0.4229 0.1758 0.119 Uiso 1 1 calc R . .
C3 C -0.1277(11) 0.3337(8) 0.2814(7) 0.065(3) Uani 1 1 d . . .
C6 C 0.2543(10) 0.2678(8) 0.3895(6) 0.058(2) Uani 1 1 d . . .
C7 C 0.2909(12) 0.3523(10) 0.3285(7) 0.078(3) Uani 1 1 d . . .
H7 H 0.3449 0.4221 0.3486 0.117 Uiso 1 1 calc R . .
C8 C 0.2525(12) 0.3400(10) 0.2396(8) 0.074(3) Uani 1 1 d . . .
C11 C -0.2534(9) 0.0825(8) 0.4345(6) 0.051(2) Uani 1 1 d . . .
C12 C -0.2699(9) 0.1428(8) 0.5132(6) 0.054(2) Uani 1 1 d . . .
H12 H -0.3480 0.1836 0.5166 0.081 Uiso 1 1 calc R . .
C13 C 0.1803(10) -0.1469(8) 0.4134(6) 0.055(2) Uani 1 1 d . . .
C16 C -0.2148(10) -0.1549(8) 0.0844(6) 0.056(2) Uani 1 1 d . . .
C17 C 0.3129(10) 0.1522(8) -0.0139(6) 0.062(2) Uani 1 1 d . . .
H17 H 0.4032 0.1950 -0.0185 0.093 Uiso 1 1 calc R . .
C18 C 0.2850(10) 0.0907(9) 0.0621(5) 0.058(2) Uani 1 1 d . . .
C4 C -0.194(2) 0.3028(13) 0.0282(8) 0.106(5) Uani 1 1 d . . .
C5 C -0.152(2) 0.4301(12) 0.3479(9) 0.111(5) Uani 1 1 d . . .
C9 C 0.3072(15) 0.2948(12) 0.4870(8) 0.087(3) Uani 1 1 d . . .
C10 C 0.307(3) 0.4356(13) 0.1762(12) 0.126(6) Uani 1 1 d . . .
C14 C -0.3709(10) 0.0746(10) 0.3595(7) 0.065(3) Uani 1 1 d . . .
C15 C 0.2079(12) -0.2164(11) 0.3317(8) 0.078(3) Uani 1 1 d . . .
C19 C -0.2534(14) -0.2339(12) 0.1616(8) 0.083(3) Uani 1 1 d . . .
C20 C 0.4057(11) 0.0841(10) 0.1317(7) 0.070(3) Uani 1 1 d . . .
F4A F -0.2618(14) 0.2148(11) -0.0157(7) 0.182(5) Uani 1 1 d . . .
F4B F -0.2591(17) 0.3842(11) 0.0229(6) 0.226(7) Uani 1 1 d . . .
F4C F 0.0779(12) -0.3214(13) 0.0182(6) 0.193(6) Uani 1 1 d . . .
F9A F 0.3678(10) 0.2060(8) 0.5193(5) 0.130(3) Uani 1 1 d . . .
F9B F 0.1981(10) 0.2899(9) 0.5401(5) 0.142(3) Uani 1 1 d . . .
F9C F 0.3882(13) 0.3869(9) 0.5021(6) 0.184(5) Uani 1 1 d . . .
F10A F 0.4097(17) 0.5114(15) 0.2093(9) 0.256(10) Uani 1 1 d . . .
F10B F 0.220(2) 0.5099(14) 0.1697(11) 0.244(9) Uani 1 1 d . . .
F10C F 0.3383(19) 0.4077(8) 0.1026(8) 0.239(8) Uani 1 1 d . . .
F14A F -0.3273(7) 0.0550(6) 0.2819(4) 0.093(2) Uani 1 1 d . . .
F14B F -0.4244(8) 0.1741(7) 0.3554(5) 0.111(2) Uani 1 1 d . . .
F14C F -0.4753(8) -0.0040(9) 0.3770(5) 0.143(4) Uani 1 1 d . . .
F19A F -0.2045(11) -0.1877(9) 0.2386(5) 0.154(4) Uani 1 1 d . . .
F19B F -0.2051(16) -0.3280(9) 0.1557(8) 0.201(6) Uani 1 1 d . . .
F19C F -0.3905(11) -0.2541(12) 0.1723(7) 0.203(6) Uani 1 1 d . . .
F20A F 0.4921(8) 0.1868(8) 0.1383(5) 0.126(3) Uani 1 1 d . . .
F20B F 0.3605(7) 0.0670(7) 0.2114(4) 0.094(2) Uani 1 1 d . . .
F20C F 0.4792(9) 0.0057(9) 0.1090(5) 0.145(4) Uani 1 1 d . . .
F5A F -0.2319(15) 0.3894(10) 0.4150(8) 0.078(3) Uiso 0.50 1 d P . .
F5B F -0.2089(17) 0.5215(12) 0.3139(9) 0.090(4) Uiso 0.50 1 d P . .
F5C F -0.0185(18) 0.4740(14) 0.3922(11) 0.111(5) Uiso 0.50 1 d P . .
F5D F -0.114(3) 0.4153(19) 0.4257(15) 0.155(7) Uiso 0.50 1 d P . .
F5E F -0.110(2) 0.5311(15) 0.3284(11) 0.112(5) Uiso 0.50 1 d P . .
F5F F -0.304(3) 0.422(2) 0.3560(19) 0.200(10) Uiso 0.50 1 d P . .
F15A F 0.3437(15) -0.2094(13) 0.3134(9) 0.089(4) Uiso 0.50 1 d P . .
F15B F 0.138(2) -0.2000(17) 0.2576(13) 0.133(6) Uiso 0.50 1 d P . .
F15C F 0.0988(15) -0.2947(12) 0.3095(9) 0.086(3) Uiso 0.50 1 d P . .
F15D F 0.174(2) -0.3310(17) 0.3470(12) 0.131(6) Uiso 0.50 1 d P . .
F15E F 0.3251(16) -0.2743(14) 0.3435(10) 0.100(4) Uiso 0.50 1 d P . .
F15F F 0.2239(16) -0.1484(13) 0.2595(10) 0.092(4) Uiso 0.50 1 d P . .


_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
Pb1 O2 2.332(6) . ?
Pb1 O4 2.347(6) . ?
Pb1 O3 2.420(6) . ?
Pb1 O1 2.443(6) . ?
Pd1 O6 1.984(6) 2_556 ?
Pd1 O6 1.984(6) . ?
Pd1 O5 1.994(5) 2_556 ?
Pd1 O5 1.994(5) . ?
Pd2 O7 1.984(6) . ?
Pd2 O7 1.984(6) 2 ?
Pd2 O8 1.986(5) . ?
Pd2 O8 1.986(5) 2 ?
O1 C1 1.233(11) . ?
O2 C3 1.230(11) . ?
O3 C6 1.249(10) . ?
O4 C8 1.241(13) . ?
O5 C11 1.269(10) . ?
O6 C13 1.275(10) . ?
O7 C16 1.267(10) . ?
O8 C18 1.277(11) . ?
C1 C2 1.388(13) . ?
C1 C4 1.543(15) . ?
C2 C3 1.414(14) . ?
C3 C5 1.520(16) . ?
C6 C7 1.371(13) . ?
C6 C9 1.541(14) . ?
C7 C8 1.369(15) . ?
C8 C10 1.521(16) . ?
C11 C12 1.378(12) . ?
C11 C14 1.548(12) . ?
C12 C13 1.364(12) 2_556 ?
C13 C12 1.364(12) 2_556 ?
C13 C15 1.496(14) . ?
C16 C17 1.388(13) 2 ?
C16 C19 1.516(14) . ?
C17 C18 1.371(12) . ?
C17 C16 1.388(13) 2 ?
C18 C20 1.534(13) . ?
C4 F4B 1.196(14) . ?
C4 F4A 1.280(17) . ?
C4 F4C 1.310(18) 2 ?
C5 F5E 1.224(18) . ?
C5 F5D 1.23(2) . ?
C5 F5A 1.330(18) . ?
C5 F5B 1.351(18) . ?
C5 F5C 1.43(2) . ?
C5 F5F 1.43(3) . ?
C9 F9C 1.232(13) . ?
C9 F9B 1.317(14) . ?
C9 F9A 1.335(15) . ?
C10 F10C 1.198(17) . ?
C10 F10B 1.27(2) . ?
C10 F10A 1.29(2) . ?
C14 F14A 1.271(11) . ?
C14 F14C 1.282(12) . ?
C14 F14B 1.318(12) . ?
C15 F15C 1.302(17) . ?
C15 F15B 1.31(2) . ?
C15 F15A 1.311(16) . ?
C15 F15D 1.34(2) . ?
C15 F15F 1.353(17) . ?
C15 F15E 1.379(17) . ?
C19 F19B 1.236(15) . ?
C19 F19C 1.298(14) . ?
C19 F19A 1.303(14) . ?
C20 F20C 1.260(13) . ?
C20 F20B 1.292(11) . ?
C20 F20A 1.342(12) . ?
F4C C4 1.310(18) 2 ?
F5A F5D 1.11(2) . ?
F5A F5F 1.20(3) . ?
F5B F5E 0.939(18) . ?
F5B F5F 1.52(3) . ?
F5C F5D 1.19(2) . ?
F5C F5E 1.50(2) . ?
F15A F15E 0.885(16) . ?
F15A F15F 1.62(2) . ?
F15B F15F 0.94(2) . ?
F15B F15C 1.37(2) . ?
F15C F15D 1.033(19) . ?
F15D F15E 1.49(2) . ?

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
O2 Pb1 O4 82.5(2) . . ?
O2 Pb1 O3 76.1(2) . . ?
O4 Pb1 O3 74.5(2) . . ?
O2 Pb1 O1 75.0(2) . . ?
O4 Pb1 O1 75.2(2) . . ?
O3 Pb1 O1 140.3(2) . . ?
O6 Pd1 O6 180.000(1) 2_556 . ?
O6 Pd1 O5 85.3(2) 2_556 2_556 ?
O6 Pd1 O5 94.7(2) . 2_556 ?
O6 Pd1 O5 94.7(2) 2_556 . ?
O6 Pd1 O5 85.3(2) . . ?
O5 Pd1 O5 180.000(1) 2_556 . ?
O7 Pd2 O7 180.0(3) . 2 ?
O7 Pd2 O8 85.2(2) . . ?
O7 Pd2 O8 94.8(2) 2 . ?
O7 Pd2 O8 94.8(2) . 2 ?
O7 Pd2 O8 85.2(2) 2 2 ?
O8 Pd2 O8 180.0(2) . 2 ?
C1 O1 Pb1 127.9(6) . . ?
C3 O2 Pb1 130.1(6) . . ?
C6 O3 Pb1 128.2(6) . . ?
C8 O4 Pb1 130.5(6) . . ?
C11 O5 Pd1 120.4(5) . . ?
C13 O6 Pd1 122.4(5) . . ?
C16 O7 Pd2 121.6(5) . . ?
C18 O8 Pd2 121.5(5) . . ?
O1 C1 C2 128.4(9) . . ?
O1 C1 C4 115.3(9) . . ?
C2 C1 C4 116.2(10) . . ?
C1 C2 C3 122.8(9) . . ?
O2 C3 C2 129.6(9) . . ?
O2 C3 C5 114.0(10) . . ?
C2 C3 C5 116.4(10) . . ?
O3 C6 C7 128.7(9) . . ?
O3 C6 C9 113.8(9) . . ?
C7 C6 C9 117.5(9) . . ?
C8 C7 C6 123.9(10) . . ?
O4 C8 C7 129.1(10) . . ?
O4 C8 C10 111.0(11) . . ?
C7 C8 C10 119.8(12) . . ?
O5 C11 C12 129.8(8) . . ?
O5 C11 C14 110.4(8) . . ?
C12 C11 C14 119.7(8) . . ?
C13 C12 C11 124.8(8) 2_556 . ?
O6 C13 C12 127.8(9) . 2_556 ?
O6 C13 C15 112.0(8) . . ?
C12 C13 C15 120.2(9) 2_556 . ?
O7 C16 C17 128.9(8) . 2 ?
O7 C16 C19 111.6(8) . . ?
C17 C16 C19 119.5(9) 2 . ?
C18 C17 C16 124.2(8) . 2 ?
O8 C18 C17 128.9(8) . . ?
O8 C18 C20 111.2(8) . . ?
C17 C18 C20 119.7(9) . . ?
F4B C4 F4A 109.3(17) . . ?
F4B C4 F4C 109.9(14) . 2 ?
F4A C4 F4C 100.2(13) . 2 ?
F4B C4 C1 116.7(11) . . ?
F4A C4 C1 112.3(12) . . ?
F4C C4 C1 107.0(14) 2 . ?
F5E C5 F5D 109(2) . . ?
F5E C5 F5A 129.9(14) . . ?
F5D C5 F5A 51.3(12) . . ?
F5E C5 F5B 42.4(9) . . ?
F5D C5 F5B 128.7(16) . . ?
F5A C5 F5B 108.2(14) . . ?
F5E C5 F5C 68.1(14) . . ?
F5D C5 F5C 52.2(14) . . ?
F5A C5 F5C 102.5(13) . . ?
F5B C5 F5C 108.3(15) . . ?
F5E C5 F5F 106.6(17) . . ?
F5D C5 F5F 100.9(18) . . ?
F5A C5 F5F 51.4(13) . . ?
F5B C5 F5F 66.3(14) . . ?
F5C C5 F5F 143.1(17) . . ?
F5E C5 C3 117.3(13) . . ?
F5D C5 C3 115.2(15) . . ?
F5A C5 C3 112.3(12) . . ?
F5B C5 C3 116.1(12) . . ?
F5C C5 C3 108.4(13) . . ?
F5F C5 C3 106.1(17) . . ?
F9C C9 F9B 109.5(12) . . ?
F9C C9 F9A 109.1(13) . . ?
F9B C9 F9A 98.6(11) . . ?
F9C C9 C6 117.0(11) . . ?
F9B C9 C6 110.4(10) . . ?
F9A C9 C6 110.7(10) . . ?
F10C C10 F10B 108.7(19) . . ?
F10C C10 F10A 108.0(19) . . ?
F10B C10 F10A 93.8(15) . . ?
F10C C10 C8 118.6(13) . . ?
F10B C10 C8 110.7(17) . . ?
F10A C10 C8 114.3(16) . . ?
F14A C14 F14C 109.6(10) . . ?
F14A C14 F14B 105.9(8) . . ?
F14C C14 F14B 106.3(9) . . ?
F14A C14 C11 114.3(8) . . ?
F14C C14 C11 110.1(8) . . ?
F14B C14 C11 110.4(9) . . ?
F15C C15 F15B 63.5(11) . . ?
F15C C15 F15A 131.6(12) . . ?
F15B C15 F15A 107.4(15) . . ?
F15C C15 F15D 45.9(9) . . ?
F15B C15 F15D 105.0(14) . . ?
F15A C15 F15D 102.0(12) . . ?
F15C C15 F15F 103.9(11) . . ?
F15B C15 F15F 41.2(10) . . ?
F15A C15 F15F 74.8(11) . . ?
F15D C15 F15F 136.8(14) . . ?
F15C C15 F15E 107.5(12) . . ?
F15B C15 F15E 128.7(14) . . ?
F15A C15 F15E 38.3(7) . . ?
F15D C15 F15E 66.3(11) . . ?
F15F C15 F15E 110.1(12) . . ?
F15C C15 C13 111.4(11) . . ?
F15B C15 C13 118.2(12) . . ?
F15A C15 C13 113.7(10) . . ?
F15D C15 C13 109.0(12) . . ?
F15F C15 C13 111.5(10) . . ?
F15E C15 C13 112.0(10) . . ?
F19B C19 F19C 109.4(13) . . ?
F19B C19 F19A 105.0(13) . . ?
F19C C19 F19A 103.0(12) . . ?
F19B C19 C16 113.2(11) . . ?
F19C C19 C16 112.4(10) . . ?
F19A C19 C16 113.1(10) . . ?
F20C C20 F20B 110.1(10) . . ?
F20C C20 F20A 108.3(10) . . ?
F20B C20 F20A 104.6(9) . . ?
F20C C20 C18 110.2(9) . . ?
F20B C20 C18 113.3(9) . . ?
F20A C20 C18 110.0(9) . . ?
F5D F5A F5F 126(2) . . ?
F5D F5A C5 59.9(14) . . ?
F5F F5A C5 68.8(16) . . ?
F5E F5B C5 61.6(15) . . ?
F5E F5B F5F 118(2) . . ?
C5 F5B F5F 59.4(13) . . ?
F5D F5C C5 55.3(14) . . ?
F5D F5C F5E 95.8(18) . . ?
C5 F5C F5E 49.3(9) . . ?
F5A F5D F5C 139(3) . . ?
F5A F5D C5 68.8(17) . . ?
F5C F5D C5 72.6(18) . . ?
F5B F5E C5 76.0(17) . . ?
F5B F5E F5C 134(2) . . ?
C5 F5E F5C 62.5(13) . . ?
F5A F5F C5 59.9(16) . . ?
F5A F5F F5B 105(2) . . ?
C5 F5F F5B 54.2(13) . . ?
F15E F15A C15 75.0(15) . . ?
F15E F15A F15F 124.3(18) . . ?
C15 F15A F15F 53.8(9) . . ?
F15F F15B C15 72.0(17) . . ?
F15F F15B F15C 129(2) . . ?
C15 F15B F15C 58.1(11) . . ?
F15D F15C C15 69.2(14) . . ?
F15D F15C F15B 121.1(19) . . ?
C15 F15C F15B 58.4(11) . . ?
F15C F15D C15 64.9(14) . . ?
F15C F15D F15E 117(2) . . ?
C15 F15D F15E 58.0(10) . . ?
F15A F15E C15 66.7(15) . . ?
F15A F15E F15D 118.6(19) . . ?
C15 F15E F15D 55.7(10) . . ?
F15B F15F C15 66.7(16) . . ?
F15B F15F F15A 108.3(19) . . ?
C15 F15F F15A 51.4(8) . . ?

_diffrn_measured_fraction_theta_max 0.964
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         1.454
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.166
_exptl_crystal_recrystallization_method Sublimation
_chemical_properties_physical    'Heat-sensitive, Light-sensitive'
