# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

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

data_Pbhfa_2-monoglyme
_database_code_depnum_ccdc_archive 'CCDC 2304600'
loop_
_audit_author_name
_audit_author_address
'Patrizia Rossi'
;University of Firenze
Italy
;
_audit_update_record             
;
2024-01-05 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_Pbhfa_2-monoglyme   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 9 Report
RESPONSE: 7 CF3 groups of 4 hfa anions, as well as pne monoglyme 
molecule, are effected by disorder. The models used
to model such disorder were isotropically refined.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H24 F24 O12 Pb2'
_chemical_formula_weight         1422.85

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7684(15)
_cell_length_b                   11.8880(14)
_cell_length_c                   15.8291(18)
_cell_angle_alpha                76.220(4)
_cell_angle_beta                 74.385(4)
_cell_angle_gamma                85.943(5)
_cell_volume                     2071.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9905
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      27.92


_exptl_crystal_description       prism
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_F_000             1336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    8.281
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.5817
_exptl_absorpt_correction_T_max  0.7372
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            97686
_diffrn_reflns_av_unetI/netI     0.0613
_diffrn_reflns_av_R_equivalents  0.1244
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.956
_diffrn_reflns_theta_max         28.365
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10360
_reflns_number_gt                7712
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR2004 (Burla 2005)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0252P)²+17.3761P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10360
_refine_ls_number_parameters     593
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.0942
_refine_ls_wR_factor_gt          0.0812
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.004
_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_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
Pb1A Pb 0.04576(2) -0.09193(2) 0.60151(2) 0.01721(7) Uani 1 1 d . . . . .
O1A O 0.2111(4) -0.0275(4) 0.6351(3) 0.0235(11) Uani 1 1 d . . . . .
O2A O 0.1717(4) 0.0201(4) 0.4553(3) 0.0198(10) Uani 1 1 d . . . . .
C1A C 0.2842(6) 0.0518(6) 0.5940(5) 0.0198(14) Uani 1 1 d . . . . .
C2A C 0.3091(6) 0.1101(6) 0.5032(4) 0.0209(14) Uani 1 1 d . . . . .
H2A H 0.368058 0.168160 0.482209 0.025 Uiso 1 1 calc R U . . .
C3A C 0.2533(6) 0.0885(5) 0.4420(4) 0.0178(13) Uani 1 1 d . . . . .
C4A C 0.3576(7) 0.0810(7) 0.6514(5) 0.0277(16) Uani 1 1 d . . . . .
C5A C 0.2958(7) 0.1552(6) 0.3431(5) 0.0233(15) Uani 1 1 d . . . . .
F41A F 0.2902(13) 0.0808(16) 0.7372(7) 0.028(3) Uiso 0.50(4) 1 d . . P A 1
F42A F 0.4460(12) 0.0001(16) 0.6578(11) 0.032(4) Uiso 0.50(4) 1 d . . P A 1
F43A F 0.4113(17) 0.1816(12) 0.6184(9) 0.030(3) Uiso 0.50(4) 1 d . . P A 1
F44A F 0.3080(12) 0.0508(15) 0.7374(7) 0.027(3) Uiso 0.50(4) 1 d . . P A 2
F45A F 0.3776(15) 0.2005(11) 0.6309(8) 0.023(3) Uiso 0.50(4) 1 d . . P A 2
F46A F 0.4632(12) 0.0329(17) 0.6372(11) 0.038(4) Uiso 0.50(4) 1 d . . P A 2
F51A F 0.3288(4) 0.0826(4) 0.2890(3) 0.0308(10) Uani 1 1 d . . . . .
F52A F 0.3862(4) 0.2264(4) 0.3266(3) 0.0301(10) Uani 1 1 d . . . . .
F53A F 0.2070(4) 0.2202(4) 0.3183(3) 0.0342(11) Uani 1 1 d . . . . .
O3A O 0.0031(4) 0.1248(4) 0.5690(3) 0.0223(10) Uani 1 1 d . . . . .
O4A O -0.0277(4) -0.0279(4) 0.7469(3) 0.0233(10) Uani 1 1 d . . . . .
C6A C 0.0150(6) 0.1955(6) 0.6133(5) 0.0210(14) Uani 1 1 d . . . . .
C7A C 0.0127(7) 0.1761(6) 0.7036(5) 0.0257(16) Uani 1 1 d . . . . .
H7A H 0.028079 0.239117 0.726138 0.031 Uiso 1 1 calc R U . . .
C8A C -0.0112(6) 0.0673(6) 0.7631(4) 0.0189(13) Uani 1 1 d . . . . .
C9A C 0.0309(7) 0.3219(6) 0.5599(5) 0.0266(16) Uani 1 1 d . . . . .
C10A C -0.0193(7) 0.0606(6) 0.8634(5) 0.0258(16) Uani 1 1 d . . . . .
F9A F 0.0891(14) 0.3871(9) 0.5916(7) 0.032(3) Uiso 0.64(4) 1 d . . P B 1
F9B F 0.0869(13) 0.3305(6) 0.4731(5) 0.024(3) Uiso 0.64(4) 1 d . . P B 1
F9C F -0.0790(11) 0.3747(10) 0.5637(9) 0.041(3) Uiso 0.64(4) 1 d . . P B 1
F9D F 0.125(2) 0.3710(16) 0.5771(13) 0.033(5) Uiso 0.36(4) 1 d . . P B 2
F9E F 0.048(3) 0.3292(13) 0.4711(10) 0.031(5) Uiso 0.36(4) 1 d . . P B 2
F9F F -0.0620(18) 0.3866(16) 0.5783(14) 0.034(5) Uiso 0.36(4) 1 d . . P B 2
F10A F 0.0274(16) 0.1513(8) 0.8761(6) 0.029(3) Uiso 0.55(4) 1 d . . P C 1
F10B F -0.1284(10) 0.0489(16) 0.9116(7) 0.036(3) Uiso 0.55(4) 1 d . . P C 1
F10C F 0.0416(10) -0.0374(13) 0.8970(6) 0.026(3) Uiso 0.55(4) 1 d . . P C 1
F10D F -0.0179(19) 0.1629(10) 0.8846(8) 0.030(4) Uiso 0.45(4) 1 d . . P C 2
F10E F 0.0615(13) -0.0041(16) 0.8898(8) 0.029(3) Uiso 0.45(4) 1 d . . P C 2
F10F F -0.1283(10) 0.0134(15) 0.9156(7) 0.021(3) Uiso 0.45(4) 1 d . . P C 2
O1MA O 0.0871(5) -0.2744(4) 0.7200(3) 0.0320(13) Uani 1 1 d . . . . .
O2MA O 0.2127(6) -0.2379(5) 0.5405(4) 0.0455(17) Uani 1 1 d . . . . .
C1 C 0.0640(17) -0.2758(14) 0.8135(11) 0.030(4) Uiso 0.481(15) 1 d . . P D 1
H11 H -0.017849 -0.251603 0.835813 0.045 Uiso 0.481(15) 1 calc R U P D 1
H12 H 0.076240 -0.354370 0.847002 0.045 Uiso 0.481(15) 1 calc R U P D 1
H13 H 0.117552 -0.222445 0.821949 0.045 Uiso 0.481(15) 1 calc R U P D 1
C2 C 0.2205(16) -0.3148(16) 0.6939(12) 0.038(5) Uiso 0.481(15) 1 d . . P D 1
H21 H 0.274980 -0.252374 0.688902 0.046 Uiso 0.481(15) 1 calc R U P D 1
H22 H 0.236037 -0.384417 0.738123 0.046 Uiso 0.481(15) 1 calc R U P D 1
C4 C 0.306(2) -0.219(2) 0.4705(18) 0.063(7) Uiso 0.481(15) 1 d . . P D 1
H41 H 0.293044 -0.148788 0.427106 0.094 Uiso 0.481(15) 1 calc R U P D 1
H42 H 0.375643 -0.210019 0.490568 0.094 Uiso 0.481(15) 1 calc R U P D 1
H43 H 0.317562 -0.285305 0.441877 0.094 Uiso 0.481(15) 1 calc R U P D 1
C5 C 0.1327(16) -0.2689(14) 0.7882(11) 0.033(4) Uiso 0.519(15) 1 d . . P D 2
H51 H 0.107566 -0.196471 0.807346 0.050 Uiso 0.519(15) 1 calc R U P D 2
H52 H 0.104831 -0.334767 0.838901 0.050 Uiso 0.519(15) 1 calc R U P D 2
H53 H 0.219066 -0.271407 0.768079 0.050 Uiso 0.519(15) 1 calc R U P D 2
C6 C 0.1093(13) -0.3681(12) 0.6805(9) 0.025(3) Uiso 0.519(15) 1 d . . P D 2
H61 H 0.044764 -0.377555 0.653635 0.030 Uiso 0.519(15) 1 calc R U P D 2
H62 H 0.116252 -0.440009 0.725779 0.030 Uiso 0.519(15) 1 calc R U P D 2
C7 C 0.2755(13) -0.2282(12) 0.4452(9) 0.019(3) Uiso 0.519(15) 1 d . . P D 2
H71 H 0.255264 -0.154121 0.409209 0.029 Uiso 0.519(15) 1 calc R U P D 2
H72 H 0.360739 -0.232043 0.438758 0.029 Uiso 0.519(15) 1 calc R U P D 2
H73 H 0.252177 -0.291935 0.424055 0.029 Uiso 0.519(15) 1 calc R U P D 2
C3 C 0.2311(9) -0.3412(8) 0.6042(6) 0.047(2) Uani 1 1 d . . . . .
H31 H 0.310534 -0.373531 0.582049 0.056 Uiso 0.481(15) 1 calc R U P D 1
H32 H 0.171968 -0.399954 0.610506 0.056 Uiso 0.481(15) 1 calc R U P D 1
H33 H 0.294992 -0.329442 0.631025 0.056 Uiso 0.519(15) 1 calc R U P D 2
H34 H 0.253593 -0.406630 0.574109 0.056 Uiso 0.519(15) 1 calc R U P D 2
Pb1B Pb 0.59054(2) 0.54505(2) 0.07516(2) 0.01855(7) Uani 1 1 d . . . . .
O3B O 0.3759(4) 0.5081(4) 0.1170(3) 0.0275(11) Uani 1 1 d . . . . .
O4B O 0.5229(4) 0.4777(4) 0.2403(3) 0.0218(10) Uani 1 1 d . . . . .
C6B C 0.3000(7) 0.5161(6) 0.1884(5) 0.0262(16) Uani 1 1 d . . . . .
C7B C 0.3140(7) 0.5108(6) 0.2729(5) 0.0258(16) Uani 1 1 d . . . . .
H7B H 0.247202 0.523230 0.319223 0.031 Uiso 1 1 calc R U . . .
C8B C 0.4230(6) 0.4877(6) 0.2928(5) 0.0220(14) Uani 1 1 d . . . . .
C9B C 0.1733(7) 0.5285(7) 0.1771(6) 0.0340(18) Uani 1 1 d . . . . .
C10B C 0.4267(7) 0.4715(7) 0.3907(5) 0.0300(17) Uani 1 1 d . . . . .
F9G F 0.1280(12) 0.4214(12) 0.1888(12) 0.029(4) Uiso 0.381(18) 1 d . . P E 1
F9H F 0.1053(13) 0.5970(16) 0.2170(14) 0.039(4) Uiso 0.381(18) 1 d . . P E 1
F9I F 0.1750(12) 0.5757(15) 0.0825(9) 0.035(4) Uiso 0.381(18) 1 d . . P E 1
F9J F 0.1471(14) 0.6402(13) 0.1579(12) 0.042(4) Uiso 0.349(11) 1 d . . P E 2
F9L F 0.1534(14) 0.4896(17) 0.1162(13) 0.046(5) Uiso 0.349(11) 1 d . . P E 2
F9M F 0.0898(15) 0.4879(17) 0.2598(11) 0.053(5) Uiso 0.349(11) 1 d . . P E 2
F9N F 0.0928(15) 0.5627(19) 0.2474(14) 0.021(5) Uiso 0.270(19) 1 d . . P E 3
F9O F 0.170(2) 0.620(2) 0.1042(18) 0.048(7) Uiso 0.270(19) 1 d . . P E 3
F9P F 0.1363(17) 0.443(2) 0.1582(19) 0.027(5) Uiso 0.270(19) 1 d . . P E 3
F10G F 0.3233(9) 0.459(2) 0.4491(7) 0.036(3) Uiso 0.57(6) 1 d . . P F 1
F10H F 0.4881(17) 0.3700(8) 0.4162(8) 0.026(3) Uiso 0.57(6) 1 d . . P F 1
F10I F 0.4802(18) 0.5608(12) 0.3995(7) 0.032(3) Uiso 0.57(6) 1 d . . P F 1
F10J F 0.3194(12) 0.497(3) 0.4465(8) 0.030(5) Uiso 0.43(6) 1 d . . P F 2
F10L F 0.509(2) 0.5455(14) 0.3994(8) 0.022(4) Uiso 0.43(6) 1 d . . P F 2
F10M F 0.455(3) 0.3707(13) 0.4266(12) 0.035(4) Uiso 0.43(6) 1 d . . P F 2
O1B O 0.5278(4) 0.7131(4) 0.1286(3) 0.0235(11) Uani 1 1 d . . . . .
O2B O 0.4845(4) 0.6682(4) -0.0337(3) 0.0233(10) Uani 1 1 d . . . . .
C1B C 0.4518(6) 0.7887(6) 0.1140(5) 0.0209(14) Uani 1 1 d . . . . .
C2B C 0.3923(7) 0.8104(6) 0.0465(5) 0.0252(15) Uani 1 1 d . . . . .
H2B H 0.333179 0.869147 0.047024 0.030 Uiso 1 1 calc R U . . .
C3B C 0.4154(6) 0.7500(6) -0.0213(5) 0.0227(15) Uani 1 1 d . . . . .
C4B C 0.4227(7) 0.8691(7) 0.1801(5) 0.0294(17) Uani 1 1 d . . . . .
C5B C 0.3408(7) 0.7851(7) -0.0908(5) 0.0289(17) Uani 1 1 d . . . . .
F4G F 0.4246(14) 0.8072(12) 0.2632(8) 0.034(3) Uiso 0.48(3) 1 d . . P G 1
F4H F 0.5087(14) 0.9495(11) 0.1556(8) 0.040(4) Uiso 0.48(3) 1 d . . P G 1
F4I F 0.3251(12) 0.9267(14) 0.1819(10) 0.037(3) Uiso 0.48(3) 1 d . . P G 1
F4J F 0.3031(10) 0.8897(12) 0.2077(8) 0.029(3) Uiso 0.52(3) 1 d . . P G 2
F4L F 0.4707(15) 0.9732(12) 0.1404(9) 0.048(4) Uiso 0.52(3) 1 d . . P G 2
F4M F 0.4598(13) 0.8299(10) 0.2527(7) 0.031(3) Uiso 0.52(3) 1 d . . P G 2
F5G F 0.2917(11) 0.6965(8) -0.1031(9) 0.033(3) Uiso 0.52(2) 1 d . . P H 1
F5H F 0.4212(9) 0.8262(12) -0.1764(6) 0.031(3) Uiso 0.52(2) 1 d . . P H 1
F5I F 0.2613(11) 0.8642(10) -0.0779(7) 0.026(3) Uiso 0.52(2) 1 d . . P H 1
F5J F 0.2532(12) 0.7025(9) -0.0661(10) 0.037(4) Uiso 0.48(2) 1 d . . P H 2
F5L F 0.2891(12) 0.8897(12) -0.0905(8) 0.029(3) Uiso 0.48(2) 1 d . . P H 2
F5M F 0.4012(12) 0.7832(15) -0.1698(8) 0.041(3) Uiso 0.48(2) 1 d . . P H 2
O1MB O 0.7658(4) 0.5833(4) 0.1478(3) 0.0236(11) Uani 1 1 d . . . . .
O2MB O 0.7569(5) 0.7058(5) -0.0291(3) 0.0297(12) Uani 1 1 d . . . . .
C8 C 0.7419(8) 0.6445(8) 0.2193(5) 0.0355(19) Uani 1 1 d . . . . .
H81 H 0.672359 0.611283 0.266503 0.053 Uiso 1 1 calc R U . . .
H82 H 0.810067 0.637411 0.244708 0.053 Uiso 1 1 calc R U . . .
H83 H 0.727023 0.726513 0.195222 0.053 Uiso 1 1 calc R U . . .
C9 C 0.8674(7) 0.6281(7) 0.0760(5) 0.0320(18) Uani 1 1 d . . . . .
H91 H 0.898281 0.568162 0.041515 0.038 Uiso 1 1 calc R U . . .
H92 H 0.929887 0.645247 0.102205 0.038 Uiso 1 1 calc R U . . .
C10 C 0.8395(7) 0.7359(8) 0.0131(5) 0.036(2) Uani 1 1 d . . . . .
H101 H 0.805350 0.795750 0.046966 0.043 Uiso 1 1 calc R U . . .
H102 H 0.912264 0.767124 -0.032791 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7262(8) 0.8020(9) -0.0927(6) 0.050(3) Uani 1 1 d . . . . .
H111 H 0.669459 0.777288 -0.119897 0.075 Uiso 1 1 calc R U . . .
H112 H 0.690782 0.863433 -0.061945 0.075 Uiso 1 1 calc R U . . .
H113 H 0.797279 0.831442 -0.139883 0.075 Uiso 1 1 calc R 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
Pb1A O1A 2.369(5) . ?
Pb1A O4A 2.509(5) . ?
Pb1A O2A 2.509(4) . ?
Pb1A O3A 2.545(5) . ?
Pb1A O1MA 2.620(5) . ?
Pb1A O2MA 2.665(5) . ?
O1A C1A 1.255(8) . ?
O2A C3A 1.244(8) . ?
C1A C2A 1.399(9) . ?
C1A C4A 1.519(10) . ?
C2A C3A 1.387(9) . ?
C3A C5A 1.540(9) . ?
C4A F44A 1.300(12) . ?
C4A F43A 1.317(12) . ?
C4A F46A 1.317(14) . ?
C4A F42A 1.373(14) . ?
C4A F41A 1.376(14) . ?
C4A F45A 1.402(13) . ?
C5A F51A 1.325(8) . ?
C5A F52A 1.338(8) . ?
C5A F53A 1.343(8) . ?
O3A C6A 1.252(8) . ?
O4A C8A 1.257(8) . ?
C6A C7A 1.385(10) . ?
C6A C9A 1.536(9) . ?
C7A C8A 1.402(9) . ?
C8A C10A 1.548(9) . ?
C9A F9F 1.300(19) . ?
C9A F9A 1.329(11) . ?
C9A F9B 1.337(11) . ?
C9A F9E 1.347(17) . ?
C9A F9C 1.390(14) . ?
C9A F9D 1.407(19) . ?
C10A F10E 1.275(14) . ?
C10A F10B 1.303(13) . ?
C10A F10A 1.322(12) . ?
C10A F10D 1.339(14) . ?
C10A F10C 1.395(13) . ?
C10A F10F 1.398(14) . ?
O1MA C5 1.345(16) . ?
O1MA C6 1.379(15) . ?
O1MA C1 1.428(17) . ?
O1MA C2 1.583(19) . ?
O2MA C4 1.32(2) . ?
O2MA C3 1.436(10) . ?
O2MA C7 1.471(15) . ?
C2 C3 1.50(2) . ?
C6 C3 1.602(17) . ?
Pb1B O1B 2.348(5) . ?
Pb1B O4B 2.466(5) . ?
Pb1B O3B 2.476(5) . ?
Pb1B O2B 2.523(5) . ?
Pb1B O1MB 2.729(5) . ?
Pb1B O2MB 2.738(5) . ?
O3B C6B 1.257(9) . ?
O4B C8B 1.261(8) . ?
C6B C7B 1.378(11) . ?
C6B C9B 1.543(11) . ?
C7B C8B 1.395(10) . ?
C8B C10B 1.528(10) . ?
C9B F9L 1.243(17) . ?
C9B F9H 1.258(16) . ?
C9B F9P 1.27(2) . ?
C9B F9J 1.323(17) . ?
C9B F9G 1.367(15) . ?
C9B F9N 1.376(19) . ?
C9B F9O 1.39(2) . ?
C9B F9M 1.410(18) . ?
C9B F9I 1.463(16) . ?
C10B F10M 1.261(17) . ?
C10B F10G 1.309(12) . ?
C10B F10I 1.325(13) . ?
C10B F10J 1.394(18) . ?
C10B F10H 1.393(15) . ?
C10B F10L 1.408(17) . ?
O1B C1B 1.248(8) . ?
O2B C3B 1.240(8) . ?
C1B C2B 1.395(10) . ?
C1B C4B 1.536(10) . ?
C2B C3B 1.387(10) . ?
C3B C5B 1.550(10) . ?
C4B F4I 1.292(13) . ?
C4B F4M 1.309(12) . ?
C4B F4L 1.335(14) . ?
C4B F4G 1.350(14) . ?
C4B F4H 1.356(14) . ?
C4B F4J 1.380(13) . ?
C5B F5M 1.265(13) . ?
C5B F5I 1.291(12) . ?
C5B F5G 1.313(12) . ?
C5B F5L 1.346(14) . ?
C5B F5J 1.387(14) . ?
C5B F5H 1.425(13) . ?
O1MB C9 1.440(9) . ?
O1MB C8 1.442(9) . ?
O2MB C10 1.427(9) . ?
O2MB C11 1.429(9) . ?
C9 C10 1.500(11) . ?

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
O1A Pb1A O4A 72.58(17) . . ?
O1A Pb1A O2A 73.55(15) . . ?
O4A Pb1A O2A 127.49(15) . . ?
O1A Pb1A O3A 81.01(16) . . ?
O4A Pb1A O3A 70.28(15) . . ?
O2A Pb1A O3A 65.74(15) . . ?
O1A Pb1A O1MA 79.51(16) . . ?
O4A Pb1A O1MA 77.53(16) . . ?
O2A Pb1A O1MA 132.66(17) . . ?
O3A Pb1A O1MA 146.11(15) . . ?
O1A Pb1A O2MA 78.8(2) . . ?
O4A Pb1A O2MA 134.86(17) . . ?
O2A Pb1A O2MA 73.65(16) . . ?
O3A Pb1A O2MA 138.28(17) . . ?
O1MA Pb1A O2MA 63.29(17) . . ?
C1A O1A Pb1A 132.6(4) . . ?
C3A O2A Pb1A 129.2(4) . . ?
O1A C1A C2A 128.3(6) . . ?
O1A C1A C4A 113.8(6) . . ?
C2A C1A C4A 117.9(6) . . ?
C3A C2A C1A 124.2(6) . . ?
O2A C3A C2A 128.7(6) . . ?
O2A C3A C5A 113.4(6) . . ?
C2A C3A C5A 117.8(6) . . ?
F44A C4A F46A 107.3(9) . . ?
F43A C4A F42A 105.4(9) . . ?
F43A C4A F41A 107.7(9) . . ?
F42A C4A F41A 108.0(8) . . ?
F44A C4A F45A 106.9(8) . . ?
F46A C4A F45A 105.2(9) . . ?
F44A C4A C1A 113.3(7) . . ?
F43A C4A C1A 114.3(7) . . ?
F46A C4A C1A 112.8(8) . . ?
F42A C4A C1A 109.7(8) . . ?
F41A C4A C1A 111.4(7) . . ?
F45A C4A C1A 110.8(7) . . ?
F51A C5A F52A 107.3(6) . . ?
F51A C5A F53A 107.3(6) . . ?
F52A C5A F53A 107.0(5) . . ?
F51A C5A C3A 110.7(5) . . ?
F52A C5A C3A 114.5(6) . . ?
F53A C5A C3A 109.7(6) . . ?
C6A O3A Pb1A 127.6(4) . . ?
C8A O4A Pb1A 128.2(4) . . ?
O3A C6A C7A 129.2(6) . . ?
O3A C6A C9A 114.8(6) . . ?
C7A C6A C9A 115.9(6) . . ?
C6A C7A C8A 122.8(7) . . ?
O4A C8A C7A 129.2(6) . . ?
O4A C8A C10A 113.9(6) . . ?
C7A C8A C10A 117.0(6) . . ?
F9A C9A F9B 107.2(7) . . ?
F9F C9A F9E 102.6(11) . . ?
F9A C9A F9C 105.3(8) . . ?
F9B C9A F9C 107.7(8) . . ?
F9F C9A F9D 108.3(12) . . ?
F9E C9A F9D 111.3(11) . . ?
F9F C9A C6A 114.0(10) . . ?
F9A C9A C6A 114.5(7) . . ?
F9B C9A C6A 112.3(6) . . ?
F9E C9A C6A 111.0(8) . . ?
F9C C9A C6A 109.5(7) . . ?
F9D C9A C6A 109.5(9) . . ?
F10B C10A F10A 109.4(9) . . ?
F10E C10A F10D 108.8(9) . . ?
F10B C10A F10C 106.6(8) . . ?
F10A C10A F10C 107.3(8) . . ?
F10E C10A F10F 107.9(9) . . ?
F10D C10A F10F 104.0(9) . . ?
F10E C10A C8A 111.8(8) . . ?
F10B C10A C8A 110.8(7) . . ?
F10A C10A C8A 113.1(7) . . ?
F10D C10A C8A 115.1(7) . . ?
F10C C10A C8A 109.4(7) . . ?
F10F C10A C8A 108.7(7) . . ?
C5 O1MA C6 121.1(10) . . ?
C1 O1MA C2 103.7(10) . . ?
C5 O1MA Pb1A 123.6(7) . . ?
C6 O1MA Pb1A 108.9(6) . . ?
C1 O1MA Pb1A 122.4(7) . . ?
C2 O1MA Pb1A 111.4(7) . . ?
C4 O2MA C3 109.5(13) . . ?
C3 O2MA C7 117.8(7) . . ?
C4 O2MA Pb1A 130.2(12) . . ?
C3 O2MA Pb1A 116.9(5) . . ?
C7 O2MA Pb1A 124.8(6) . . ?
C3 C2 O1MA 101.6(12) . . ?
O1MA C6 C3 106.1(10) . . ?
O2MA C3 C2 110.2(10) . . ?
O2MA C3 C6 107.0(8) . . ?
O1B Pb1B O4B 74.86(16) . . ?
O1B Pb1B O3B 82.74(17) . . ?
O4B Pb1B O3B 71.47(16) . . ?
O1B Pb1B O2B 73.64(15) . . ?
O4B Pb1B O2B 129.56(16) . . ?
O3B Pb1B O2B 66.33(16) . . ?
O1B Pb1B O1MB 76.39(16) . . ?
O4B Pb1B O1MB 71.56(15) . . ?
O3B Pb1B O1MB 141.10(16) . . ?
O2B Pb1B O1MB 134.74(15) . . ?
O1B Pb1B O2MB 76.29(17) . . ?
O4B Pb1B O2MB 130.51(15) . . ?
O3B Pb1B O2MB 141.89(16) . . ?
O2B Pb1B O2MB 77.31(16) . . ?
O1MB Pb1B O2MB 63.06(14) . . ?
C6B O3B Pb1B 128.6(5) . . ?
C8B O4B Pb1B 129.6(4) . . ?
O3B C6B C7B 129.7(7) . . ?
O3B C6B C9B 112.7(7) . . ?
C7B C6B C9B 117.5(7) . . ?
C6B C7B C8B 122.2(7) . . ?
O4B C8B C7B 128.9(7) . . ?
O4B C8B C10B 113.1(6) . . ?
C7B C8B C10B 118.1(6) . . ?
F9L C9B F9J 105.3(13) . . ?
F9H C9B F9G 115.4(12) . . ?
F9P C9B F9N 111.4(13) . . ?
F9P C9B F9O 104.2(16) . . ?
F9N C9B F9O 102.8(14) . . ?
F9L C9B F9M 111.1(13) . . ?
F9J C9B F9M 102.3(12) . . ?
F9H C9B F9I 103.1(11) . . ?
F9G C9B F9I 99.6(10) . . ?
F9L C9B C6B 117.5(10) . . ?
F9H C9B C6B 116.8(9) . . ?
F9P C9B C6B 115.1(11) . . ?
F9J C9B C6B 108.1(9) . . ?
F9G C9B C6B 109.8(8) . . ?
F9N C9B C6B 113.3(9) . . ?
F9O C9B C6B 108.8(11) . . ?
F9M C9B C6B 111.2(9) . . ?
F9I C9B C6B 110.4(8) . . ?
F10G C10B F10I 108.5(9) . . ?
F10M C10B F10J 106.5(10) . . ?
F10G C10B F10H 104.8(8) . . ?
F10I C10B F10H 109.3(9) . . ?
F10M C10B F10L 105.4(10) . . ?
F10J C10B F10L 105.1(9) . . ?
F10M C10B C8B 114.4(10) . . ?
F10G C10B C8B 114.5(8) . . ?
F10I C10B C8B 109.7(7) . . ?
F10J C10B C8B 112.9(8) . . ?
F10H C10B C8B 109.7(7) . . ?
F10L C10B C8B 111.8(7) . . ?
C1B O1B Pb1B 133.0(4) . . ?
C3B O2B Pb1B 127.7(4) . . ?
O1B C1B C2B 129.3(7) . . ?
O1B C1B C4B 114.1(6) . . ?
C2B C1B C4B 116.7(6) . . ?
C3B C2B C1B 123.0(7) . . ?
O2B C3B C2B 129.8(7) . . ?
O2B C3B C5B 113.9(6) . . ?
C2B C3B C5B 116.2(6) . . ?
F4M C4B F4L 107.4(9) . . ?
F4I C4B F4G 111.0(9) . . ?
F4I C4B F4H 105.8(9) . . ?
F4G C4B F4H 106.4(9) . . ?
F4M C4B F4J 107.3(8) . . ?
F4L C4B F4J 105.2(9) . . ?
F4I C4B C1B 114.9(8) . . ?
F4M C4B C1B 113.7(7) . . ?
F4L C4B C1B 110.6(8) . . ?
F4G C4B C1B 109.3(8) . . ?
F4H C4B C1B 109.0(8) . . ?
F4J C4B C1B 112.1(7) . . ?
F5I C5B F5G 108.4(9) . . ?
F5M C5B F5L 109.5(9) . . ?
F5M C5B F5J 107.8(9) . . ?
F5L C5B F5J 108.4(9) . . ?
F5I C5B F5H 107.6(8) . . ?
F5G C5B F5H 102.7(8) . . ?
F5M C5B C3B 111.9(8) . . ?
F5I C5B C3B 116.9(7) . . ?
F5G C5B C3B 113.3(7) . . ?
F5L C5B C3B 112.7(7) . . ?
F5J C5B C3B 106.3(7) . . ?
F5H C5B C3B 106.8(7) . . ?
C9 O1MB C8 112.3(6) . . ?
C9 O1MB Pb1B 109.0(4) . . ?
C8 O1MB Pb1B 120.7(4) . . ?
C10 O2MB C11 112.4(6) . . ?
C10 O2MB Pb1B 116.6(4) . . ?
C11 O2MB Pb1B 120.3(4) . . ?
O1MB C9 C10 112.5(6) . . ?
O2MB C10 C9 107.6(6) . . ?

_refine_diff_density_max         1.201
_refine_diff_density_min         -1.742
_refine_diff_density_rms         0.222

