# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 1999
# CCDC Number: 186/1634

data_k4pb9

      #-------------------------------------------------------------------------
      #2    Person making the deposition

_publ_contact_author               
;
     Thomas F. Faessler
     Eidgenoessische Technische Hochschule Zuerich
     Laboratorium fuer Anorganische Chemie
     Universitaetstr.6
     ETH-Zentrum
     8092 Zuerich
     Switzerland
;

_publ_contact_author_email          faessler@inorg.chem.ethz.ch
_publ_requested_journal             'Dalton Transactions'
_publ_section_title         
;
    Novel synthetic route to soluble polyanions: Synthesis and
    crystal structure of [K([18]crown-6)]4Pb9.en.tol
;        
      #-------------------------------------------------------------------------
      #3    Publication details

      #     Provide these details if the structure has been published,
      #     accepted or submitted for publication

      #     The CCDC journal deposition number, eg. 182/357,
      #     should be included only if it has been assigned by the journal

loop_
_publ_author_name
Faessler Thomas F., Hoffmann Rudolf
_journal_name_full                 'Chemical Communications'
_journal_volume                    '?'
_journal_page_first                '?'
_journal_page_last                 '?'
_journal_year                      '1999'
_ccdc_journal_depnumber            '?'

      #-------------------------------------------------------------------------
      #4    Chemical and physical data

      #     Note that the units for melting point are Kelvin
      #     The compound_id is the identifier for the compound in the published
      #       paper, eg. 4a, II, etc.
      #     Provide a brief description of any significant biological activity,
      #       eg. antimalarial activity
      #     If the compound exhibits polymorphism provide brief details,
      #       eg. monoclinic form, low-temperature phase, etc.
      #     For chemdiag include any ASCII file output by a chemical drawing
      #       package
      #       Against _type record, for example, ChemDraw
      #       Against _records supply the chemical connectivity records

_chemical_name_systematic          '?'
_chemical_name_common              
;
     Potassium-[18]crown-6-Salt of Nonaplumbide(4-)
;
_chemical_formula_moiety           '?'
_chemical_formula_sum              'C28.5 H56 K2 N O12 Pb4.5'
_chemical_formula_weight            1615.3
_chemical_melting_point             ?

_ccdc_compound_id                  '?'
_ccdc_biological_activity          '?'
_ccdc_polymorph                    '?'

_ccdc_chemdiag_type                '?'

_exptl_crystal_density_diffrn       2.423
_exptl_crystal_colour              'dark-red '

      #-------------------------------------------------------------------------
      #5    Other data relating to the structure determination and refinement

      #     Record the radiation type if not X-rays, eg. neutron
      #     Record the temperature of the data collection (Kelvin)
      #       if not room-temperature
      #     Record R_squared if this is the only reliability factor given by
      #       your refinement program
      #     Describe briefly any disorder, eg. t-Butyl C31-33 disordered over
      #       two sites with occupancies 0.6 and 0.4
      #     Under ccdc_comments record any other important information

_diffrn_radiation_type             'MoK/a'            
_diffrn_measurement_device         'Siemens Smart'
_ccdc_temp_data_collection          223
_ccdc_ls_R_squared                  ?
_refine_ls_abs_structure_details   '?'
_ccdc_disorder                     
;
 The crown-ether molecule coordinated to K1 is disordered over two sites
 and was refined with split positions of equal weights.
 Further, from the crown-ether coordinating K4 two carbon atoms C45-C46 were
 disordered and refined with split positions of equal weights.
;

_ccdc_comments                     '?'

      #-------------------------------------------------------------------------
      #6    Include your "standard" CIF file here
      #     It should contain the following data items:
      #       unit cell parameters and volume, z value, space group symbol,
      #       R-factor(s), atomic coordinates with standard deviations,
      #       occupancy factors, bond lengths and bond angles
      #     Other data items may be present but will not necessarily be
      #       included in the Cambridge Structural Database
      #     Do not include structure factors

 
 
_audit_creation_method            SHELXL-97 

 
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' 
 'N'  'N'   0.0061   0.0033 
 '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' 
 'K'  'K'   0.2009   0.2494 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'monoclinic' 
_symmetry_space_group_name_H-M    'P2(1)/m' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 '-x, -y, -z' 
 'x, -y-1/2, z' 
 
_cell_length_a                    14.618(2) 
_cell_length_b                    14.771(2) 
_cell_length_c                    21.583(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  108.13(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      4428.8(11) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     223(2) 
_cell_measurement_reflns_used     512 
_cell_measurement_theta_min       3.5 
_cell_measurement_theta_max       23 
 
_exptl_crystal_description        'rods' 
_exptl_crystal_size_max           0.65 
_exptl_crystal_size_mid           0.35 
_exptl_crystal_size_min           0.30 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2948 
_exptl_absorpt_coefficient_mu     17.289 
_exptl_absorpt_correction_type    'empirical, Siemens SADABS' 
_exptl_absorpt_correction_T_min   0.005537
_exptl_absorpt_correction_T_max   0.034995 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       223(2) 
_diffrn_radiation_wavelength      0.71079 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Siemens Smart'
_diffrn_measurement_method        '\w scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             39939 
_diffrn_reflns_av_R_equivalents   0.0994 
_diffrn_reflns_av_sigmaI/netI     0.0769 
_diffrn_reflns_limit_h_min        -18 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        26 
_diffrn_reflns_theta_min          0.99 
_diffrn_reflns_theta_max          26.45 
_reflns_number_total              9452 
_reflns_number_gt                 5934 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Siemens SMART'
_computing_cell_refinement        'Siemens SAINT'
_computing_data_reduction         'Siemnes SAINT'
_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 F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0394P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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          9452 
_refine_ls_number_parameters      419 
_refine_ls_number_restraints      16 
_refine_ls_R_factor_all           0.0810 
_refine_ls_R_factor_gt            0.0427 
_refine_ls_wR_factor_ref          0.0972 
_refine_ls_wR_factor_gt           0.0845 
_refine_ls_goodness_of_fit_ref    0.920 
_refine_ls_restrained_S_all       0.920 
_refine_ls_shift/su_max           0.031 
_refine_ls_shift/su_mean          0.002 
 
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 0.22526(3) 0.60016(3) 0.26411(2) 0.05155(12) Uani 1 1 d . . . 
Pb2 Pb 0.12059(4) 0.7500 0.16410(3) 0.04982(16) Uani 1 2 d S . . 
Pb3 Pb 0.32869(5) 0.7500 0.36366(3) 0.05163(16) Uani 1 2 d S . . 
Pb4 Pb 0.28595(3) 0.63748(3) 0.14040(2) 0.04891(12) Uani 1 1 d . . . 
Pb5 Pb 0.44260(3) 0.63238(3) 0.29243(2) 0.04897(12) Uani 1 1 d . . . 
Pb6 Pb 0.47258(4) 0.7500 0.18309(3) 0.05033(16) Uani 1 2 d S . . 
K1 K 0.0880(2) 0.7500 -0.02752(17) 0.0546(9) Uani 1 2 d S . . 
O1 O -0.1235(10) 0.7716(10) -0.0776(6) 0.064(5) Uiso 0.50 1 d P . . 
O2 O 0.0031(13) 0.5831(11) -0.0637(8) 0.061(4) Uiso 0.50 1 d P . . 
O12 O -0.0559(16) 0.5916(12) -0.0665(9) 0.066(5) Uiso 0.50 1 d P . . 
O3 O 0.8749(12) 0.4305(11) 0.0909(7) 0.055(4) Uiso 0.50 1 d P . . 
O13 O 0.8168(14) 0.3923(11) 0.0855(8) 0.067(4) Uiso 0.50 1 d P . . 
O4 O 0.7479(12) 0.2852(9) 0.0693(8) 0.068(5) Uiso 0.50 1 d P . . 
C1 C -0.168(2) 0.6947(18) -0.0549(13) 0.068(7) Uiso 0.50 1 d PD . . 
C11 C -0.142(2) 0.643(2) -0.0557(15) 0.071(8) Uiso 0.50 1 d PD . . 
C2 C -0.106(3) 0.575(2) -0.0928(15) 0.079(9) Uiso 0.50 1 d PD . . 
C12 C -0.153(2) 0.6162(18) -0.0899(14) 0.065(7) Uiso 0.50 1 d PD . . 
C3 C 0.048(2) 0.5084(19) -0.0853(15) 0.057(8) Uiso 0.50 1 d PD . . 
C13 C -0.026(2) 0.5147(18) -0.0974(13) 0.075(8) Uiso 0.50 1 d PD . . 
C4 C 0.162(2) 0.5268(17) -0.0590(12) 0.061(6) Uiso 0.50 1 d PD . . 
C14 C 0.084(3) 0.505(2) -0.0718(17) 0.076(11) Uiso 0.50 1 d PD . . 
C5 C 0.772(2) 0.4403(19) 0.0625(14) 0.077(8) Uiso 0.50 1 d PD . . 
C15 C 0.721(2) 0.3780(18) 0.0595(15) 0.070(8) Uiso 0.50 1 d PD . . 
C6 C 0.724(2) 0.364(2) 0.0942(17) 0.085(9) Uiso 0.50 1 d PD . . 
C16 C 0.695(2) 0.2844(16) 0.0870(13) 0.084(9) Uiso 0.50 1 d PD . . 
K2 K 0.6101(2) 0.7500 0.45326(16) 0.0495(8) Uani 1 2 d S . . 
O21 O 0.5727(9) 0.7500 0.5801(6) 0.079(4) Uani 1 2 d S . . 
O22 O 0.6038(7) 0.5880(5) 0.5235(5) 0.083(3) Uani 1 1 d . . . 
O23 O 0.7352(6) 0.5855(6) 0.4515(5) 0.082(3) Uani 1 1 d . . . 
O24 O 0.7622(9) 0.7500 0.3979(6) 0.086(4) Uani 1 2 d S . . 
C21 C 0.5190(11) 0.6727(13) 0.5797(8) 0.108(6) Uani 1 1 d . . . 
H21A H 0.4634 0.6709 0.5400 0.129 Uiso 1 1 calc R . . 
H21B H 0.4955 0.6725 0.6175 0.129 Uiso 1 1 calc R . . 
C22 C 0.5813(12) 0.5931(12) 0.5819(7) 0.105(6) Uani 1 1 d . . . 
H22A H 0.6406 0.5987 0.6187 0.127 Uiso 1 1 calc R . . 
H22B H 0.5479 0.5379 0.5879 0.127 Uiso 1 1 calc R . . 
C23 C 0.3368(11) 0.4884(8) 0.4805(9) 0.109(7) Uani 1 1 d . . . 
H23A H 0.2741 0.4841 0.4466 0.131 Uiso 1 1 calc R . . 
H23B H 0.3678 0.5449 0.4742 0.131 Uiso 1 1 calc R . . 
C24 C 0.6760(11) 0.5130(10) 0.4539(9) 0.106(7) Uani 1 1 d . . . 
H24A H 0.7054 0.4562 0.4461 0.128 Uiso 1 1 calc R . . 
H24B H 0.6135 0.5197 0.4202 0.128 Uiso 1 1 calc R . . 
C25 C 0.7512(11) 0.5901(12) 0.3913(8) 0.107(6) Uani 1 1 d . . . 
H25A H 0.6896 0.5955 0.3564 0.129 Uiso 1 1 calc R . . 
H25B H 0.7833 0.5348 0.3838 0.129 Uiso 1 1 calc R . . 
C26 C 0.8127(11) 0.6703(13) 0.3907(8) 0.126(7) Uani 1 1 d . . . 
H26A H 0.8734 0.6660 0.4264 0.152 Uiso 1 1 calc R . . 
H26B H 0.8277 0.6726 0.3495 0.152 Uiso 1 1 calc R . . 
K3 K 0.0472(2) 0.7500 0.32313(16) 0.0521(8) Uani 1 2 d S . . 
O31 O -0.1379(9) 0.7500 0.2216(6) 0.083(4) Uani 1 2 d S . . 
O32 O 0.9112(6) 0.5805(6) 0.2826(5) 0.078(3) Uani 1 1 d . . . 
O33 O 0.0551(6) 0.5868(5) 0.4000(5) 0.072(2) Uani 1 1 d . . . 
O34 O 0.0925(8) 0.7500 0.4704(5) 0.064(3) Uani 1 2 d S . . 
C31 C 0.8115(11) 0.6714(11) 0.1978(7) 0.094(5) Uani 1 1 d . . . 
H31A H 0.7823 0.6759 0.1504 0.113 Uiso 1 1 calc R . . 
H31B H 0.7599 0.6630 0.2173 0.113 Uiso 1 1 calc R . . 
C32 C 0.8770(12) 0.5945(11) 0.2136(7) 0.099(5) Uani 1 1 d . . . 
H32A H 0.8435 0.5400 0.1921 0.119 Uiso 1 1 calc R . . 
H32B H 0.9316 0.6056 0.1974 0.119 Uiso 1 1 calc R . . 
C33 C 0.9791(10) 0.5091(8) 0.3034(7) 0.074(4) Uani 1 1 d . . . 
H33A H 1.0347 0.5206 0.2883 0.089 Uiso 1 1 calc R . . 
H33B H 0.9497 0.4518 0.2845 0.089 Uiso 1 1 calc R . . 
C34 C 0.0108(11) 0.5028(8) 0.3748(8) 0.087(5) Uani 1 1 d . . . 
H34A H -0.0445 0.4914 0.3902 0.104 Uiso 1 1 calc R . . 
H34B H 0.0568 0.4531 0.3893 0.104 Uiso 1 1 calc R . . 
C35 C 0.0854(9) 0.5905(9) 0.4693(6) 0.073(4) Uani 1 1 d . . . 
H35A H 0.1221 0.5359 0.4873 0.088 Uiso 1 1 calc R . . 
H35B H 0.0291 0.5933 0.4847 0.088 Uiso 1 1 calc R . . 
C36 C 0.1470(9) 0.6729(8) 0.4915(6) 0.073(4) Uani 1 1 d . . . 
H36A H 0.1730 0.6732 0.5392 0.088 Uiso 1 1 calc R . . 
H36B H 0.2012 0.6717 0.4739 0.088 Uiso 1 1 calc R . . 
K4 K 0.4992(3) 0.2500 0.15505(18) 0.0562(9) Uani 1 2 d S . . 
O41 O 0.4139(8) 0.2500 0.0181(6) 0.082(4) Uani 1 2 d S . . 
O42 O 0.4975(7) 0.4130(5) 0.0785(5) 0.084(3) Uani 1 1 d D . . 
O43 O 0.6004(8) 0.4095(7) 0.2096(6) 0.110(4) Uani 1 1 d D . . 
O44 O 0.6850(13) 0.2500 0.2668(7) 0.131(6) Uani 1 2 d SD . . 
C41 C 0.4212(13) 0.3284(14) -0.0177(9) 0.137(8) Uani 1 1 d . . . 
H41A H 0.3685 0.3297 -0.0590 0.165 Uiso 1 1 calc R . . 
H41B H 0.4823 0.3281 -0.0275 0.165 Uiso 1 1 calc R . . 
C42 C 0.4161(13) 0.4066(14) 0.0210(13) 0.157(12) Uani 1 1 d . . . 
H42A H 0.4125 0.4613 -0.0053 0.189 Uiso 1 1 calc R . . 
H42B H 0.3572 0.4033 0.0335 0.189 Uiso 1 1 calc R . . 
C43 C 0.520(3) 0.483(2) 0.1266(15) 0.094(11) Uiso 0.50 1 d PD . . 
H43A H 0.4671 0.4816 0.1458 0.113 Uiso 0.50 1 calc PR . . 
H43B H 0.5125 0.5396 0.1022 0.113 Uiso 0.50 1 calc PR . . 
C431 C 0.483(2) 0.4861(17) 0.1157(12) 0.079(10) Uiso 0.50 1 d PD . . 
H43C H 0.4274 0.4763 0.1307 0.095 Uiso 0.50 1 calc PR . . 
H43D H 0.4748 0.5428 0.0909 0.095 Uiso 0.50 1 calc PR . . 
C44 C 0.607(3) 0.4931(17) 0.1813(17) 0.123(17) Uiso 0.50 1 d PD . . 
H44A H 0.6647 0.4982 0.1676 0.147 Uiso 0.50 1 calc PR . . 
H44B H 0.6036 0.5441 0.2095 0.147 Uiso 0.50 1 calc PR . . 
C441 C 0.572(2) 0.4870(15) 0.1698(14) 0.076(9) Uiso 0.50 1 d PD . . 
H44C H 0.6242 0.5015 0.1521 0.091 Uiso 0.50 1 calc PR . . 
H44D H 0.5675 0.5373 0.1984 0.091 Uiso 0.50 1 calc PR . . 
C45 C 0.683(3) 0.422(2) 0.253(2) 0.116(14) Uiso 0.50 1 d PD . . 
H45A H 0.6824 0.4755 0.2796 0.140 Uiso 0.50 1 calc PR . . 
H45B H 0.7342 0.4276 0.2331 0.140 Uiso 0.50 1 calc PR . . 
C451 C 0.683(3) 0.392(2) 0.2759(18) 0.099(10) Uiso 0.50 1 d PD . . 
H45C H 0.7441 0.3925 0.2659 0.119 Uiso 0.50 1 calc PR . . 
H45D H 0.6845 0.4451 0.3038 0.119 Uiso 0.50 1 calc PR . . 
C46 C 0.694(3) 0.3392(11) 0.2917(17) 0.116(12) Uiso 0.50 1 d PD . . 
H46A H 0.7574 0.3428 0.3242 0.139 Uiso 0.50 1 calc PR . . 
H46B H 0.6470 0.3440 0.3158 0.139 Uiso 0.50 1 calc PR . . 
C461 C 0.683(4) 0.3129(19) 0.3146(14) 0.16(2) Uiso 0.50 1 d PD . . 
H46C H 0.7398 0.3092 0.3532 0.187 Uiso 0.50 1 calc PR . . 
H46D H 0.6243 0.3081 0.3273 0.187 Uiso 0.50 1 calc PR . . 
N4 N 0.3748(8) 0.3486(8) 0.2113(6) 0.092(4) Uiso 1 1 d . . . 
H4A H 0.4096 0.3909 0.2396 0.111 Uiso 1 1 calc R . . 
H4B H 0.3287 0.3778 0.1793 0.111 Uiso 1 1 calc R . . 
C47 C 0.3316(14) 0.2901(11) 0.2440(9) 0.143(8) Uiso 1 1 d . . . 
H47A H 0.3573 0.3075 0.2900 0.172 Uiso 1 1 calc R . . 
H47B H 0.2636 0.3075 0.2301 0.172 Uiso 1 1 calc R . . 
C51 C 0.903(2) 0.7500 0.5832(17) 0.146(11) Uiso 1 2 d S . . 
H51 H 0.8764 0.7500 0.5376 0.175 Uiso 1 2 calc SR . . 
C52 C 0.849(3) 0.7500 0.616(2) 0.208(17) Uiso 1 2 d S . . 
H52 H 0.7824 0.7500 0.5958 0.249 Uiso 1 2 calc SR . . 
C53 C 0.113(3) 0.2500 0.3160(19) 0.185(14) Uiso 1 2 d S . . 
H53 H 0.1537 0.2500 0.2896 0.222 Uiso 1 2 calc SR . . 
C54 C 0.0004(19) 0.7500 0.6091(13) 0.110(8) Uiso 1 2 d S . . 
H54 H 0.0394 0.7500 0.5817 0.131 Uiso 1 2 calc SR . . 
C55 C 0.9607(18) 0.2500 0.3279(12) 0.102(7) Uiso 1 2 d S . . 
H55 H 0.8932 0.2500 0.3105 0.123 Uiso 1 2 calc SR . . 
C56 C 1.011(2) 0.2500 0.2883(13) 0.108(8) Uiso 1 2 d S . . 
C57 C 0.977(2) 0.2500 0.2172(14) 0.154(11) Uiso 1 2 d S . . 
H57A H 0.9076 0.2500 0.2020 0.230 Uiso 1 2 calc SR . . 
H57B H 1.0011 0.1964 0.2011 0.230 Uiso 0.50 1 calc PR . . 
H57C H 1.0011 0.3036 0.2011 0.230 Uiso 0.50 1 calc PR . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Pb1 0.0462(3) 0.0508(2) 0.0584(3) 0.0050(2) 0.0174(2) -0.0088(2) 
Pb2 0.0340(3) 0.0573(3) 0.0550(4) 0.000 0.0093(3) 0.000 
Pb3 0.0524(4) 0.0633(4) 0.0401(3) 0.000 0.0157(3) 0.000 
Pb4 0.0463(2) 0.0514(2) 0.0497(2) -0.01275(19) 0.01595(19) -0.00407(19) 
Pb5 0.0402(2) 0.0520(2) 0.0520(3) 0.00771(19) 0.01056(19) 0.00944(19) 
Pb6 0.0439(3) 0.0497(3) 0.0647(4) 0.000 0.0276(3) 0.000 
K1 0.041(2) 0.060(2) 0.064(2) 0.000 0.0184(17) 0.000 
K2 0.047(2) 0.0501(18) 0.050(2) 0.000 0.0135(16) 0.000 
O21 0.052(8) 0.134(12) 0.051(7) 0.000 0.018(6) 0.000 
O22 0.082(7) 0.056(5) 0.086(7) 0.021(5) -0.008(5) -0.012(5) 
O23 0.061(6) 0.073(6) 0.091(7) -0.037(5) -0.006(5) 0.010(5) 
O24 0.049(8) 0.141(12) 0.071(9) 0.000 0.024(7) 0.000 
C21 0.072(11) 0.178(18) 0.076(11) 0.021(12) 0.027(9) -0.004(12) 
C22 0.100(13) 0.133(14) 0.067(10) 0.041(10) 0.004(9) -0.061(11) 
C23 0.091(12) 0.041(7) 0.145(16) 0.017(9) -0.039(11) -0.005(7) 
C24 0.093(12) 0.063(9) 0.115(14) -0.025(9) -0.037(11) 0.026(9) 
C25 0.063(10) 0.138(15) 0.100(13) -0.058(12) -0.005(9) 0.036(10) 
C26 0.054(9) 0.23(2) 0.096(12) -0.088(13) 0.024(9) 0.008(12) 
K3 0.051(2) 0.0569(19) 0.050(2) 0.000 0.0167(16) 0.000 
O31 0.068(9) 0.106(10) 0.060(8) 0.000 -0.001(7) 0.000 
O32 0.073(6) 0.082(6) 0.084(7) -0.025(5) 0.034(5) -0.012(5) 
O33 0.064(6) 0.057(5) 0.095(7) 0.011(5) 0.025(5) -0.001(4) 
O34 0.059(7) 0.075(7) 0.050(7) 0.000 0.006(6) 0.000 
C31 0.089(12) 0.118(12) 0.058(9) 0.000(9) -0.002(8) -0.026(10) 
C32 0.107(13) 0.117(13) 0.076(11) -0.046(10) 0.033(10) -0.047(11) 
C33 0.067(9) 0.054(7) 0.108(12) -0.019(8) 0.036(8) -0.001(7) 
C34 0.091(11) 0.049(7) 0.117(13) 0.001(8) 0.027(10) 0.000(7) 
C35 0.059(8) 0.081(9) 0.073(9) 0.022(7) 0.011(7) 0.014(7) 
C36 0.069(9) 0.090(9) 0.051(7) 0.020(7) 0.004(7) 0.015(8) 
K4 0.057(2) 0.0522(19) 0.063(2) 0.000 0.0242(18) 0.000 
O41 0.043(7) 0.135(12) 0.063(8) 0.000 0.007(6) 0.000 
O42 0.073(7) 0.060(5) 0.135(9) 0.027(6) 0.055(6) 0.026(5) 
O43 0.103(9) 0.100(8) 0.138(10) -0.044(7) 0.053(8) -0.017(7) 
O44 0.118(14) 0.185(18) 0.076(11) 0.000 0.011(10) 0.000 
C41 0.076(12) 0.23(2) 0.090(14) 0.075(15) -0.004(10) 0.030(15) 
C42 0.062(12) 0.17(2) 0.25(3) 0.14(2) 0.069(16) 0.053(14) 
 
_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 Pb5 3.0799(8) . ? 
Pb1 Pb4 3.1137(8) . ? 
Pb1 Pb3 3.1271(8) 4_575 ? 
Pb1 Pb3 3.1271(8) . ? 
Pb1 Pb2 3.1375(8) . ? 
Pb1 Pb2 3.1375(8) 4_575 ? 
Pb1 K3 3.919(3) . ? 
Pb2 Pb2 0.0000(12) 4_575 ? 
Pb2 Pb4 3.1043(8) 4_575 ? 
Pb2 Pb4 3.1043(8) . ? 
Pb2 Pb1 3.1375(8) 4_575 ? 
Pb2 K3 3.901(4) . ? 
Pb2 K1 4.013(4) . ? 
Pb3 Pb3 0.0000 4_575 ? 
Pb3 Pb5 3.1223(8) 4_575 ? 
Pb3 Pb5 3.1223(8) . ? 
Pb3 Pb1 3.1271(8) 4_575 ? 
Pb3 K3 3.931(4) . ? 
Pb3 K2 3.963(4) . ? 
Pb4 Pb6 3.0804(8) . ? 
Pb4 Pb2 3.1043(8) 4_575 ? 
Pb4 Pb4 3.3240(9) 4_575 ? 
Pb4 Pb5 3.3672(13) . ? 
Pb4 K1 4.212(3) . ? 
Pb5 Pb6 3.0696(8) . ? 
Pb5 Pb3 3.1223(8) 4_575 ? 
Pb5 Pb5 3.4747(9) 4_575 ? 
Pb5 K2 3.971(3) . ? 
Pb6 Pb5 3.0696(8) 4_575 ? 
Pb6 Pb4 3.0805(8) 4_575 ? 
K1 O2 2.761(16) 4_575 ? 
K1 O2 2.761(16) . ? 
K1 O4 2.860(18) 2_655 ? 
K1 O4 2.860(18) 3_665 ? 
K1 O1 2.957(14) . ? 
K1 O1 2.957(14) 4_575 ? 
K1 O13 3.001(17) 2_655 ? 
K1 O13 3.001(17) 3_665 ? 
K1 O12 3.08(2) . ? 
K1 O12 3.08(2) 4_575 ? 
K1 O3 3.119(15) 3_665 ? 
K1 O3 3.119(15) 2_655 ? 
O1 O1 0.64(3) 4_575 ? 
O1 C1 1.05(3) 4_575 ? 
O1 C11 1.40(3) 4_575 ? 
O1 C1 1.47(3) . ? 
O1 C12 1.71(3) 4_575 ? 
O2 O12 0.85(2) . ? 
O2 C13 1.24(3) . ? 
O2 C3 1.43(3) . ? 
O2 C2 1.53(4) . ? 
O2 C14 1.70(4) . ? 
O12 C2 0.81(3) . ? 
O12 C12 1.39(3) . ? 
O12 C13 1.45(3) . ? 
O12 C11 1.55(4) . ? 
O3 C4 0.97(2) 3_665 ? 
O3 O13 0.995(19) . ? 
O3 C14 1.26(4) 3_665 ? 
O3 C5 1.45(3) . ? 
O3 C3 1.48(3) 3_665 ? 
O3 K1 3.119(15) 3_665 ? 
O13 C5 0.99(3) . ? 
O13 C15 1.36(3) . ? 
O13 C4 1.40(3) 3_665 ? 
O13 C6 1.48(4) . ? 
O13 K1 3.001(17) 3_665 ? 
O4 C16 0.96(3) . ? 
O4 O4 1.04(3) 4_565 ? 
O4 C6 1.36(3) . ? 
O4 C16 1.41(3) 4_565 ? 
O4 C15 1.42(3) . ? 
O4 K1 2.860(18) 3_665 ? 
C1 C11 0.85(3) . ? 
C1 O1 1.05(3) 4_575 ? 
C1 C12 1.44(4) . ? 
C1 C1 1.63(5) 4_575 ? 
C11 C12 0.81(3) . ? 
C11 O1 1.40(3) 4_575 ? 
C11 C2 1.48(4) . ? 
C2 C12 0.93(3) . ? 
C2 C13 1.50(4) . ? 
C12 O1 1.71(3) 4_575 ? 
C3 C14 0.52(4) . ? 
C3 C13 1.03(3) . ? 
C3 O3 1.48(3) 3_665 ? 
C3 C4 1.61(4) . ? 
C13 C14 1.53(4) . ? 
C4 O3 0.97(2) 3_665 ? 
C4 C5 1.10(3) 3_665 ? 
C4 C14 1.14(4) . ? 
C4 O13 1.40(3) 3_665 ? 
C14 O3 1.26(4) 3_665 ? 
C5 C4 1.10(3) 3_665 ? 
C5 C15 1.17(3) . ? 
C5 C6 1.59(4) . ? 
C15 C6 0.76(4) . ? 
C15 C16 1.59(4) . ? 
C6 C16 1.24(3) . ? 
C16 C16 1.02(5) 4_565 ? 
C16 O4 1.41(3) 4_565 ? 
K2 O24 2.833(14) . ? 
K2 O22 2.849(8) . ? 
K2 O22 2.849(8) 4_575 ? 
K2 O21 2.953(13) . ? 
K2 O23 3.049(8) . ? 
K2 O23 3.049(8) 4_575 ? 
K2 Pb3 3.963(4) 4_575 ? 
K2 Pb5 3.971(3) 4_575 ? 
O21 C21 1.384(17) . ? 
O21 C21 1.384(17) 4_575 ? 
O22 C22 1.400(18) . ? 
O22 C23 1.443(17) 3_666 ? 
O23 C24 1.387(18) . ? 
O23 C25 1.392(19) . ? 
O24 C26 1.423(16) 4_575 ? 
O24 C26 1.423(16) . ? 
C21 C22 1.48(2) . ? 
C23 O22 1.443(17) 3_666 ? 
C23 C24 1.48(2) 3_666 ? 
C24 C23 1.48(2) 3_666 ? 
C25 C26 1.49(2) . ? 
K3 O31 2.904(12) . ? 
K3 O33 2.909(8) 4_575 ? 
K3 O33 2.909(8) . ? 
K3 O34 3.038(11) . ? 
K3 O32 3.147(9) 1_455 ? 
K3 O32 3.147(8) 4_475 ? 
K3 Pb2 3.901(4) 4_575 ? 
K3 Pb1 3.919(3) 4_575 ? 
K3 Pb3 3.931(4) 4_575 ? 
O31 C31 1.387(14) 1_455 ? 
O31 C31 1.387(14) 4_475 ? 
O32 C33 1.422(14) . ? 
O32 C32 1.430(16) . ? 
O32 K3 3.147(8) 1_655 ? 
O33 C35 1.422(14) . ? 
O33 C34 1.426(14) . ? 
O34 C36 1.384(12) 4_575 ? 
O34 C36 1.384(12) . ? 
C31 O31 1.387(14) 1_655 ? 
C31 C32 1.46(2) . ? 
C33 C34 1.467(18) 1_655 ? 
C34 C33 1.467(18) 1_455 ? 
C35 C36 1.502(17) . ? 
K4 O41 2.827(13) . ? 
K4 O43 2.836(10) . ? 
K4 O43 2.836(10) 4_565 ? 
K4 N4 2.877(12) . ? 
K4 N4 2.877(12) 4_565 ? 
K4 O42 2.915(9) 4_565 ? 
K4 O42 2.916(9) . ? 
K4 O44 3.020(16) . ? 
K4 C43 3.52(4) 4_565 ? 
K4 C43 3.52(4) . ? 
O41 C41 1.414(19) 4_565 ? 
O41 C41 1.414(19) . ? 
O42 C431 1.399(10) . ? 
O42 C43 1.427(10) . ? 
O42 C42 1.43(2) . ? 
O43 C45 1.29(4) . ? 
O43 C44 1.395(10) . ? 
O43 C441 1.414(10) . ? 
O43 C451 1.58(4) . ? 
O44 C461 1.394(10) 4_565 ? 
O44 C461 1.394(10) . ? 
O44 C46 1.414(10) 4_565 ? 
O44 C46 1.414(10) . ? 
C41 C42 1.44(3) . ? 
C43 C44 1.452(10) . ? 
C431 C441 1.449(10) . ? 
C44 C45 1.92(4) . ? 
C45 C46 1.456(10) . ? 
C451 C461 1.443(10) . ? 
C461 C461 1.86(6) 4_565 ? 
N4 C47 1.384(19) . ? 
C47 C47 1.19(3) 4_565 ? 
C51 C52 1.21(5) . ? 
C51 C54 1.35(3) 1_655 ? 
C52 C53 1.40(5) 3_666 ? 
C53 C52 1.40(5) 3_666 ? 
C53 C56 1.42(4) 1_455 ? 
C54 C55 1.30(3) 3_666 ? 
C54 C51 1.35(4) 1_455 ? 
C55 C56 1.29(3) . ? 
C55 C54 1.30(3) 3_666 ? 
C56 C53 1.42(4) 1_655 ? 
C56 C57 1.46(3) . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
Pb5 Pb1 Pb4 65.86(3) . . ? 
Pb5 Pb1 Pb3 60.40(2) . 4_575 ? 
Pb4 Pb1 Pb3 104.95(2) . 4_575 ? 
Pb5 Pb1 Pb3 60.40(2) . . ? 
Pb4 Pb1 Pb3 104.95(2) . . ? 
Pb3 Pb1 Pb3 0.000(19) 4_575 . ? 
Pb5 Pb1 Pb2 106.23(3) . . ? 
Pb4 Pb1 Pb2 59.549(18) . . ? 
Pb3 Pb1 Pb2 90.08(3) 4_575 . ? 
Pb3 Pb1 Pb2 90.08(3) . . ? 
Pb5 Pb1 Pb2 106.23(3) . 4_575 ? 
Pb4 Pb1 Pb2 59.549(18) . 4_575 ? 
Pb3 Pb1 Pb2 90.08(3) 4_575 4_575 ? 
Pb3 Pb1 Pb2 90.08(3) . 4_575 ? 
Pb2 Pb1 Pb2 0.00(3) . 4_575 ? 
Pb5 Pb1 K3 126.63(4) . . ? 
Pb4 Pb1 K3 125.03(4) . . ? 
Pb3 Pb1 K3 66.73(5) 4_575 . ? 
Pb3 Pb1 K3 66.73(5) . . ? 
Pb2 Pb1 K3 66.06(5) . . ? 
Pb2 Pb1 K3 66.06(5) 4_575 . ? 
Pb2 Pb2 Pb4 0(4) 4_575 4_575 ? 
Pb2 Pb2 Pb4 0(10) 4_575 . ? 
Pb4 Pb2 Pb4 64.74(2) 4_575 . ? 
Pb2 Pb2 Pb1 0(10) 4_575 4_575 ? 
Pb4 Pb2 Pb1 59.842(19) 4_575 4_575 ? 
Pb4 Pb2 Pb1 104.66(3) . 4_575 ? 
Pb2 Pb2 Pb1 0(10) 4_575 . ? 
Pb4 Pb2 Pb1 104.66(3) 4_575 . ? 
Pb4 Pb2 Pb1 59.844(19) . . ? 
Pb1 Pb2 Pb1 89.73(3) 4_575 . ? 
Pb2 Pb2 K3 0(10) 4_575 . ? 
Pb4 Pb2 K3 125.89(4) 4_575 . ? 
Pb4 Pb2 K3 125.89(4) . . ? 
Pb1 Pb2 K3 66.64(4) 4_575 . ? 
Pb1 Pb2 K3 66.64(4) . . ? 
Pb2 Pb2 K1 0(10) 4_575 . ? 
Pb4 Pb2 K1 71.28(5) 4_575 . ? 
Pb4 Pb2 K1 71.28(5) . . ? 
Pb1 Pb2 K1 125.81(3) 4_575 . ? 
Pb1 Pb2 K1 125.81(3) . . ? 
K3 Pb2 K1 158.38(7) . . ? 
Pb3 Pb3 Pb5 0(7) 4_575 4_575 ? 
Pb3 Pb3 Pb5 0(10) 4_575 . ? 
Pb5 Pb3 Pb5 67.62(2) 4_575 . ? 
Pb3 Pb3 Pb1 0(10) 4_575 . ? 
Pb5 Pb3 Pb1 105.87(2) 4_575 . ? 
Pb5 Pb3 Pb1 59.054(18) . . ? 
Pb3 Pb3 Pb1 0(10) 4_575 4_575 ? 
Pb5 Pb3 Pb1 59.054(17) 4_575 4_575 ? 
Pb5 Pb3 Pb1 105.87(2) . 4_575 ? 
Pb1 Pb3 Pb1 90.11(3) . 4_575 ? 
Pb3 Pb3 K3 0(10) 4_575 . ? 
Pb5 Pb3 K3 124.90(4) 4_575 . ? 
Pb5 Pb3 K3 124.90(4) . . ? 
Pb1 Pb3 K3 66.32(4) . . ? 
Pb1 Pb3 K3 66.32(4) 4_575 . ? 
Pb3 Pb3 K2 0(10) 4_575 . ? 
Pb5 Pb3 K2 66.96(4) 4_575 . ? 
Pb5 Pb3 K2 66.96(4) . . ? 
Pb1 Pb3 K2 122.80(4) . . ? 
Pb1 Pb3 K2 122.80(4) 4_575 . ? 
K3 Pb3 K2 164.59(7) . . ? 
Pb6 Pb4 Pb2 108.931(19) . 4_575 ? 
Pb6 Pb4 Pb2 108.931(19) . . ? 
Pb2 Pb4 Pb2 0.00(2) 4_575 . ? 
Pb6 Pb4 Pb1 107.53(3) . . ? 
Pb2 Pb4 Pb1 60.61(2) 4_575 . ? 
Pb2 Pb4 Pb1 60.61(2) . . ? 
Pb6 Pb4 Pb4 57.349(12) . 4_575 ? 
Pb2 Pb4 Pb4 57.629(11) 4_575 4_575 ? 
Pb2 Pb4 Pb4 57.629(11) . 4_575 ? 
Pb1 Pb4 Pb4 100.198(11) . 4_575 ? 
Pb6 Pb4 Pb5 56.65(2) . . ? 
Pb2 Pb4 Pb5 100.35(2) 4_575 . ? 
Pb2 Pb4 Pb5 100.35(2) . . ? 
Pb1 Pb4 Pb5 56.586(17) . . ? 
Pb4 Pb4 Pb5 91.281(10) 4_575 . ? 
Pb6 Pb4 K1 110.59(4) . . ? 
Pb2 Pb4 K1 64.46(5) 4_575 . ? 
Pb2 Pb4 K1 64.46(5) . . ? 
Pb1 Pb4 K1 120.32(5) . . ? 
Pb4 Pb4 K1 66.76(2) 4_575 . ? 
Pb5 Pb4 K1 157.51(3) . . ? 
Pb6 Pb5 Pb1 108.68(3) . . ? 
Pb6 Pb5 Pb3 106.81(2) . 4_575 ? 
Pb1 Pb5 Pb3 60.55(2) . 4_575 ? 
Pb6 Pb5 Pb3 106.81(2) . . ? 
Pb1 Pb5 Pb3 60.55(2) . . ? 
Pb3 Pb5 Pb3 0.00(2) 4_575 . ? 
Pb6 Pb5 Pb4 56.958(17) . . ? 
Pb1 Pb5 Pb4 57.55(3) . . ? 
Pb3 Pb5 Pb4 99.33(2) 4_575 . ? 
Pb3 Pb5 Pb4 99.33(2) . . ? 
Pb6 Pb5 Pb5 55.530(12) . 4_575 ? 
Pb1 Pb5 Pb5 98.891(11) . 4_575 ? 
Pb3 Pb5 Pb5 56.191(12) 4_575 4_575 ? 
Pb3 Pb5 Pb5 56.191(12) . 4_575 ? 
Pb4 Pb5 Pb5 88.718(9) . 4_575 ? 
Pb6 Pb5 K2 103.16(4) . . ? 
Pb1 Pb5 K2 123.93(6) . . ? 
Pb3 Pb5 K2 66.69(5) 4_575 . ? 
Pb3 Pb5 K2 66.69(5) . . ? 
Pb4 Pb5 K2 152.77(3) . . ? 
Pb5 Pb5 K2 64.06(2) 4_575 . ? 
Pb5 Pb6 Pb5 68.94(2) 4_575 . ? 
Pb5 Pb6 Pb4 102.14(3) 4_575 . ? 
Pb5 Pb6 Pb4 66.39(3) . . ? 
Pb5 Pb6 Pb4 66.39(3) 4_575 4_575 ? 
Pb5 Pb6 Pb4 102.14(3) . 4_575 ? 
Pb4 Pb6 Pb4 65.30(2) . 4_575 ? 
O2 K1 O2 126.5(7) 4_575 . ? 
O2 K1 O4 95.5(5) 4_575 2_655 ? 
O2 K1 O4 114.9(5) . 2_655 ? 
O2 K1 O4 114.9(5) 4_575 3_665 ? 
O2 K1 O4 95.5(5) . 3_665 ? 
O4 K1 O4 20.9(5) 2_655 3_665 ? 
O2 K1 O1 58.2(5) 4_575 . ? 
O2 K1 O1 70.5(5) . . ? 
O4 K1 O1 138.5(4) 2_655 . ? 
O4 K1 O1 142.0(4) 3_665 . ? 
O2 K1 O1 70.5(5) 4_575 4_575 ? 
O2 K1 O1 58.2(5) . 4_575 ? 
O4 K1 O1 142.0(4) 2_655 4_575 ? 
O4 K1 O1 138.5(4) 3_665 4_575 ? 
O1 K1 O1 12.4(6) . 4_575 ? 
O2 K1 O13 58.9(5) 4_575 2_655 ? 
O2 K1 O13 137.2(5) . 2_655 ? 
O4 K1 O13 36.7(5) 2_655 2_655 ? 
O4 K1 O13 56.8(5) 3_665 2_655 ? 
O1 K1 O13 109.8(5) . 2_655 ? 
O1 K1 O13 119.4(5) 4_575 2_655 ? 
O2 K1 O13 137.2(5) 4_575 3_665 ? 
O2 K1 O13 58.9(5) . 3_665 ? 
O4 K1 O13 56.8(5) 2_655 3_665 ? 
O4 K1 O13 36.7(5) 3_665 3_665 ? 
O1 K1 O13 119.4(5) . 3_665 ? 
O1 K1 O13 109.8(5) 4_575 3_665 ? 
O13 K1 O13 88.9(7) 2_655 3_665 ? 
O2 K1 O12 113.1(6) 4_575 . ? 
O2 K1 O12 15.6(4) . . ? 
O4 K1 O12 128.3(5) 2_655 . ? 
O4 K1 O12 110.1(5) 3_665 . ? 
O1 K1 O12 55.6(5) . . ? 
O1 K1 O12 43.3(5) 4_575 . ? 
O13 K1 O12 141.6(5) 2_655 . ? 
O13 K1 O12 73.8(5) 3_665 . ? 
O2 K1 O12 15.6(4) 4_575 4_575 ? 
O2 K1 O12 113.1(6) . 4_575 ? 
O4 K1 O12 110.1(5) 2_655 4_575 ? 
O4 K1 O12 128.3(5) 3_665 4_575 ? 
O1 K1 O12 43.3(5) . 4_575 ? 
O1 K1 O12 55.6(5) 4_575 4_575 ? 
O13 K1 O12 73.8(5) 2_655 4_575 ? 
O13 K1 O12 141.6(5) 3_665 4_575 ? 
O12 K1 O12 98.7(7) . 4_575 ? 
O2 K1 O3 139.8(5) 4_575 3_665 ? 
O2 K1 O3 40.3(5) . 3_665 ? 
O4 K1 O3 74.9(4) 2_655 3_665 ? 
O4 K1 O3 55.2(4) 3_665 3_665 ? 
O1 K1 O3 103.7(4) . 3_665 ? 
O1 K1 O3 93.0(4) 4_575 3_665 ? 
O13 K1 O3 104.4(5) 2_655 3_665 ? 
O13 K1 O3 18.6(4) 3_665 3_665 ? 
O12 K1 O3 55.2(5) . 3_665 ? 
O12 K1 O3 136.6(5) 4_575 3_665 ? 
O2 K1 O3 40.3(5) 4_575 2_655 ? 
O2 K1 O3 139.8(5) . 2_655 ? 
O4 K1 O3 55.2(4) 2_655 2_655 ? 
O4 K1 O3 74.9(4) 3_665 2_655 ? 
O1 K1 O3 93.0(4) . 2_655 ? 
O1 K1 O3 103.7(4) 4_575 2_655 ? 
O13 K1 O3 18.6(4) 2_655 2_655 ? 
O13 K1 O3 104.4(5) 3_665 2_655 ? 
O12 K1 O3 136.6(5) . 2_655 ? 
O12 K1 O3 55.2(5) 4_575 2_655 ? 
O3 K1 O3 117.4(6) 3_665 2_655 ? 
O1 O1 C1 118.1(18) 4_575 4_575 ? 
O1 O1 C11 154.0(15) 4_575 4_575 ? 
C1 O1 C11 37.4(17) 4_575 4_575 ? 
O1 O1 C1 39.3(12) 4_575 . ? 
C1 O1 C1 79(3) 4_575 . ? 
C11 O1 C1 115(2) 4_575 . ? 
O1 O1 C12 165.6(10) 4_575 4_575 ? 
C1 O1 C12 57.0(18) 4_575 4_575 ? 
C11 O1 C12 28.0(13) 4_575 4_575 ? 
C1 O1 C12 133.3(19) . 4_575 ? 
O1 O1 K1 83.8(3) 4_575 . ? 
C1 O1 K1 127.5(18) 4_575 . ? 
C11 O1 K1 105.4(14) 4_575 . ? 
C1 O1 K1 108.5(13) . . ? 
C12 O1 K1 110.1(11) 4_575 . ? 
O12 O2 C13 86(2) . . ? 
O12 O2 C3 130(3) . . ? 
C13 O2 C3 44.7(16) . . ? 
O12 O2 C2 23(2) . . ? 
C13 O2 C2 64.9(18) . . ? 
C3 O2 C2 109.5(19) . . ? 
O12 O2 C14 144(3) . . ? 
C13 O2 C14 60.5(19) . . ? 
C3 O2 C14 16.4(17) . . ? 
C2 O2 C14 125(2) . . ? 
O12 O2 K1 104(2) . . ? 
C13 O2 K1 159.2(18) . . ? 
C3 O2 K1 124.6(16) . . ? 
C2 O2 K1 120.2(14) . . ? 
C14 O2 K1 111.7(15) . . ? 
C2 O12 O2 133(4) . . ? 
C2 O12 C12 39(3) . . ? 
O2 O12 C12 162(3) . . ? 
C2 O12 C13 78(3) . . ? 
O2 O12 C13 58(2) . . ? 
C12 O12 C13 117(2) . . ? 
C2 O12 C11 69(3) . . ? 
O2 O12 C11 156(3) . . ? 
C12 O12 C11 31.3(14) . . ? 
C13 O12 C11 146(2) . . ? 
C2 O12 K1 144(3) . . ? 
O2 O12 K1 60.3(18) . . ? 
C12 O12 K1 115.5(15) . . ? 
C13 O12 K1 116.2(17) . . ? 
C11 O12 K1 96.0(14) . . ? 
C4 O3 O13 91(2) 3_665 . ? 
C4 O3 C14 60(2) 3_665 3_665 ? 
O13 O3 C14 150(3) . 3_665 ? 
C4 O3 C5 49.7(19) 3_665 . ? 
O13 O3 C5 43.1(15) . . ? 
C14 O3 C5 109(2) 3_665 . ? 
C4 O3 C3 79(2) 3_665 3_665 ? 
O13 O3 C3 169(2) . 3_665 ? 
C14 O3 C3 20(2) 3_665 3_665 ? 
C5 O3 C3 129(2) . 3_665 ? 
C4 O3 K1 112.4(18) 3_665 3_665 ? 
O13 O3 K1 73.9(14) . 3_665 ? 
C14 O3 K1 109.7(18) 3_665 3_665 ? 
C5 O3 K1 101.6(13) . 3_665 ? 
C3 O3 K1 104.2(14) 3_665 3_665 ? 
C5 O13 O3 94(3) . . ? 
C5 O13 C15 58(2) . . ? 
O3 O13 C15 151(2) . . ? 
C5 O13 C4 52(2) . 3_665 ? 
O3 O13 C4 43.7(14) . 3_665 ? 
C15 O13 C4 107(2) . 3_665 ? 
C5 O13 C6 77(3) . . ? 
O3 O13 C6 158(2) . . ? 
C15 O13 C6 30.8(15) . . ? 
C4 O13 C6 128(2) 3_665 . ? 
C5 O13 K1 128(2) . 3_665 ? 
O3 O13 K1 87.5(15) . 3_665 ? 
C15 O13 K1 105.8(15) . 3_665 ? 
C4 O13 K1 103.8(14) 3_665 3_665 ? 
C6 O13 K1 114.3(15) . 3_665 ? 
C16 O4 O4 89.3(18) . 4_565 ? 
C16 O4 C6 61(2) . . ? 
O4 O4 C6 148.1(16) 4_565 . ? 
C16 O4 C16 46(2) . 4_565 ? 
O4 O4 C16 43.1(11) 4_565 4_565 ? 
C6 O4 C16 107(2) . 4_565 ? 
C16 O4 C15 81(2) . . ? 
O4 O4 C15 164.2(13) 4_565 . ? 
C6 O4 C15 31.7(15) . . ? 
C16 O4 C15 126(2) 4_565 . ? 
C16 O4 K1 168(2) . 3_665 ? 
O4 O4 K1 79.5(3) 4_565 3_665 ? 
C6 O4 K1 128.1(17) . 3_665 ? 
C16 O4 K1 122.5(12) 4_565 3_665 ? 
C15 O4 K1 110.5(16) . 3_665 ? 
C11 C1 O1 94(4) . 4_575 ? 
C11 C1 C12 29(3) . . ? 
O1 C1 C12 85(2) 4_575 . ? 
C11 C1 O1 116(4) . . ? 
O1 C1 O1 22.6(13) 4_575 . ? 
C12 C1 O1 106.8(19) . . ? 
C11 C1 C1 153(3) . 4_575 ? 
O1 C1 C1 61.9(18) 4_575 4_575 ? 
C12 C1 C1 143.7(16) . 4_575 ? 
O1 C1 C1 39.3(12) . 4_575 ? 
C12 C11 C1 120(5) . . ? 
C12 C11 O1 98(4) . 4_575 ? 
C1 C11 O1 49(3) . 4_575 ? 
C12 C11 C2 34(3) . . ? 
C1 C11 C2 148(4) . . ? 
O1 C11 C2 107(2) 4_575 . ? 
C12 C11 O12 64(3) . . ? 
C1 C11 O12 146(4) . . ? 
O1 C11 O12 98(2) 4_575 . ? 
C2 C11 O12 31.1(13) . . ? 
O12 C2 C12 106(4) . . ? 
O12 C2 C11 80(3) . . ? 
C12 C2 C11 29(2) . . ? 
O12 C2 C13 71(3) . . ? 
C12 C2 C13 176(4) . . ? 
C11 C2 C13 149(3) . . ? 
O12 C2 O2 24(2) . . ? 
C12 C2 O2 128(4) . . ? 
C11 C2 O2 103(2) . . ? 
C13 C2 O2 48.3(15) . . ? 
C11 C12 C2 117(5) . . ? 
C11 C12 O12 85(3) . . ? 
C2 C12 O12 34(2) . . ? 
C11 C12 C1 31(3) . . ? 
C2 C12 C1 143(4) . . ? 
O12 C12 C1 109(2) . . ? 
C11 C12 O1 54(3) . 4_575 ? 
C2 C12 O1 119(3) . 4_575 ? 
O12 C12 O1 91.2(17) . 4_575 ? 
C1 C12 O1 37.9(12) . 4_575 ? 
C14 C3 C13 162(9) . . ? 
C14 C3 O2 112(7) . . ? 
C13 C3 O2 58(2) . . ? 
C14 C3 O3 56(6) . 3_665 ? 
C13 C3 O3 134(3) . 3_665 ? 
O2 C3 O3 89.7(18) . 3_665 ? 
C14 C3 C4 20(6) . . ? 
C13 C3 C4 164(3) . . ? 
O2 C3 C4 107(2) . . ? 
O3 C3 C4 36.1(11) 3_665 . ? 
C3 C13 O2 78(3) . . ? 
C3 C13 O12 113(3) . . ? 
O2 C13 O12 35.9(12) . . ? 
C3 C13 C2 144(3) . . ? 
O2 C13 C2 67(2) . . ? 
O12 C13 C2 31.9(13) . . ? 
C3 C13 C14 6(3) . . ? 
O2 C13 C14 75(2) . . ? 
O12 C13 C14 110(2) . . ? 
C2 C13 C14 142(3) . . ? 
O3 C4 C5 88(3) 3_665 3_665 ? 
O3 C4 C14 73(3) 3_665 . ? 
C5 C4 C14 161(4) 3_665 . ? 
O3 C4 O13 45.3(16) 3_665 3_665 ? 
C5 C4 O13 44.6(18) 3_665 3_665 ? 
C14 C4 O13 118(3) . 3_665 ? 
O3 C4 C3 64(2) 3_665 . ? 
C5 C4 C3 152(3) 3_665 . ? 
C14 C4 C3 9(3) . . ? 
O13 C4 C3 110(2) 3_665 . ? 
C3 C14 C4 151(8) . . ? 
C3 C14 O3 104(7) . 3_665 ? 
C4 C14 O3 47.1(19) . 3_665 ? 
C3 C14 C13 12(6) . . ? 
C4 C14 C13 157(3) . . ? 
O3 C14 C13 111(3) 3_665 . ? 
C3 C14 O2 51(6) . . ? 
C4 C14 O2 117(3) . . ? 
O3 C14 O2 86(2) 3_665 . ? 
C13 C14 O2 44.8(14) . . ? 
O13 C5 C4 84(3) . 3_665 ? 
O13 C5 C15 77(3) . . ? 
C4 C5 C15 154(4) 3_665 . ? 
O13 C5 O3 43.4(17) . . ? 
C4 C5 O3 42.0(17) 3_665 . ? 
C15 C5 O3 120(3) . . ? 
O13 C5 C6 65(2) . . ? 
C4 C5 C6 148(3) 3_665 . ? 
C15 C5 C6 27.2(19) . . ? 
O3 C5 C6 106(2) . . ? 
C6 C15 C5 108(4) . . ? 
C6 C15 O13 84(4) . . ? 
C5 C15 O13 45.3(17) . . ? 
C6 C15 O4 70(3) . . ? 
C5 C15 O4 127(3) . . ? 
O13 C15 O4 83.3(19) . . ? 
C6 C15 C16 49(3) . . ? 
C5 C15 C16 151(3) . . ? 
O13 C15 C16 108(2) . . ? 
O4 C15 C16 36.6(13) . . ? 
C15 C6 C16 103(4) . . ? 
C15 C6 O4 78(4) . . ? 
C16 C6 O4 43.0(17) . . ? 
C15 C6 O13 66(4) . . ? 
C16 C6 O13 123(3) . . ? 
O4 C6 O13 81(2) . . ? 
C15 C6 C5 45(3) . . ? 
C16 C6 C5 143(3) . . ? 
O4 C6 C5 104(2) . . ? 
O13 C6 C5 37.4(13) . . ? 
O4 C16 C16 90.7(18) . 4_565 ? 
O4 C16 C6 75(2) . . ? 
C16 C16 C6 161(2) 4_565 . ? 
O4 C16 O4 47.6(18) . 4_565 ? 
C16 C16 O4 43.1(11) 4_565 4_565 ? 
C6 C16 O4 122(3) . 4_565 ? 
O4 C16 C15 62.0(19) . . ? 
C16 C16 C15 150.1(16) 4_565 . ? 
C6 C16 C15 27.8(18) . . ? 
O4 C16 C15 109(2) 4_565 . ? 
O24 K2 O22 112.6(3) . . ? 
O24 K2 O22 112.6(3) . 4_575 ? 
O22 K2 O22 114.2(4) . 4_575 ? 
O24 K2 O21 141.9(4) . . ? 
O22 K2 O21 57.4(2) . . ? 
O22 K2 O21 57.4(2) 4_575 . ? 
O24 K2 O23 56.1(2) . . ? 
O22 K2 O23 57.0(3) . . ? 
O22 K2 O23 142.6(3) 4_575 . ? 
O21 K2 O23 107.2(3) . . ? 
O24 K2 O23 56.1(2) . 4_575 ? 
O22 K2 O23 142.6(3) . 4_575 ? 
O22 K2 O23 57.0(3) 4_575 4_575 ? 
O21 K2 O23 107.2(3) . 4_575 ? 
O23 K2 O23 105.7(4) . 4_575 ? 
O24 K2 Pb3 128.7(3) . . ? 
O22 K2 Pb3 93.40(19) . . ? 
O22 K2 Pb3 93.40(19) 4_575 . ? 
O21 K2 Pb3 89.4(3) . . ? 
O23 K2 Pb3 121.97(17) . . ? 
O23 K2 Pb3 121.97(17) 4_575 . ? 
O24 K2 Pb3 128.7(3) . 4_575 ? 
O22 K2 Pb3 93.40(19) . 4_575 ? 
O22 K2 Pb3 93.40(19) 4_575 4_575 ? 
O21 K2 Pb3 89.4(3) . 4_575 ? 
O23 K2 Pb3 121.97(17) . 4_575 ? 
O23 K2 Pb3 121.97(17) 4_575 4_575 ? 
Pb3 K2 Pb3 0.000(9) . 4_575 ? 
O24 K2 Pb5 89.0(2) . . ? 
O22 K2 Pb5 89.11(18) . . ? 
O22 K2 Pb5 136.00(19) 4_575 . ? 
O21 K2 Pb5 124.7(2) . . ? 
O23 K2 Pb5 81.35(16) . . ? 
O23 K2 Pb5 123.2(2) 4_575 . ? 
Pb3 K2 Pb5 46.35(4) . . ? 
Pb3 K2 Pb5 46.35(4) 4_575 . ? 
O24 K2 Pb5 89.0(2) . 4_575 ? 
O22 K2 Pb5 136.00(19) . 4_575 ? 
O22 K2 Pb5 89.12(18) 4_575 4_575 ? 
O21 K2 Pb5 124.7(2) . 4_575 ? 
O23 K2 Pb5 123.2(2) . 4_575 ? 
O23 K2 Pb5 81.35(16) 4_575 4_575 ? 
Pb3 K2 Pb5 46.35(4) . 4_575 ? 
Pb3 K2 Pb5 46.35(4) 4_575 4_575 ? 
Pb5 K2 Pb5 51.89(5) . 4_575 ? 
C21 O21 C21 111.2(18) . 4_575 ? 
C21 O21 K2 105.2(9) . . ? 
C21 O21 K2 105.2(9) 4_575 . ? 
C22 O22 C23 114.2(12) . 3_666 ? 
C22 O22 K2 119.3(9) . . ? 
C23 O22 K2 120.3(10) 3_666 . ? 
C24 O23 C25 111.1(12) . . ? 
C24 O23 K2 103.4(8) . . ? 
C25 O23 K2 104.4(8) . . ? 
C26 O24 C26 111.5(18) 4_575 . ? 
C26 O24 K2 123.2(9) 4_575 . ? 
C26 O24 K2 123.2(9) . . ? 
O21 C21 C22 108.3(12) . . ? 
O22 C22 C21 109.1(12) . . ? 
O22 C23 C24 107.7(11) 3_666 3_666 ? 
O23 C24 C23 108.1(12) . 3_666 ? 
O23 C25 C26 108.9(12) . . ? 
O24 C26 C25 108.7(12) . . ? 
O31 K3 O33 107.0(2) . 4_575 ? 
O31 K3 O33 107.0(2) . . ? 
O33 K3 O33 112.0(4) 4_575 . ? 
O31 K3 O34 129.6(4) . . ? 
O33 K3 O34 56.37(19) 4_575 . ? 
O33 K3 O34 56.37(19) . . ? 
O31 K3 O32 55.3(2) . 1_455 ? 
O33 K3 O32 136.7(3) 4_575 1_455 ? 
O33 K3 O32 53.7(2) . 1_455 ? 
O34 K3 O32 101.8(2) . 1_455 ? 
O31 K3 O32 55.3(2) . 4_475 ? 
O33 K3 O32 53.7(2) 4_575 4_475 ? 
O33 K3 O32 136.7(3) . 4_475 ? 
O34 K3 O32 101.8(2) . 4_475 ? 
O32 K3 O32 105.4(4) 1_455 4_475 ? 
O31 K3 Pb2 77.5(3) . . ? 
O33 K3 Pb2 121.94(19) 4_575 . ? 
O33 K3 Pb2 121.94(19) . . ? 
O34 K3 Pb2 152.9(2) . . ? 
O32 K3 Pb2 94.48(18) 1_455 . ? 
O32 K3 Pb2 94.48(18) 4_475 . ? 
O31 K3 Pb2 77.5(3) . 4_575 ? 
O33 K3 Pb2 121.94(19) 4_575 4_575 ? 
O33 K3 Pb2 121.94(19) . 4_575 ? 
O34 K3 Pb2 152.9(2) . 4_575 ? 
O32 K3 Pb2 94.48(18) 1_455 4_575 ? 
O32 K3 Pb2 94.48(18) 4_475 4_575 ? 
Pb2 K3 Pb2 0.000(16) . 4_575 ? 
O31 K3 Pb1 108.2(2) . 4_575 ? 
O33 K3 Pb1 78.76(18) 4_575 4_575 ? 
O33 K3 Pb1 137.8(2) . 4_575 ? 
O34 K3 Pb1 112.93(19) . 4_575 ? 
O32 K3 Pb1 141.71(19) 1_455 4_575 ? 
O32 K3 Pb1 83.47(17) 4_475 4_575 ? 
Pb2 K3 Pb1 47.31(4) . 4_575 ? 
Pb2 K3 Pb1 47.31(4) 4_575 4_575 ? 
O31 K3 Pb1 108.2(2) . . ? 
O33 K3 Pb1 137.8(2) 4_575 . ? 
O33 K3 Pb1 78.76(18) . . ? 
O34 K3 Pb1 112.93(19) . . ? 
O32 K3 Pb1 83.47(17) 1_455 . ? 
O32 K3 Pb1 141.71(19) 4_475 . ? 
Pb2 K3 Pb1 47.31(4) . . ? 
Pb2 K3 Pb1 47.31(4) 4_575 . ? 
Pb1 K3 Pb1 68.78(6) 4_575 . ? 
O31 K3 Pb3 146.4(3) . 4_575 ? 
O33 K3 Pb3 91.17(18) 4_575 4_575 ? 
O33 K3 Pb3 91.17(18) . 4_575 ? 
O34 K3 Pb3 84.0(2) . 4_575 ? 
O32 K3 Pb3 126.07(18) 1_455 4_575 ? 
O32 K3 Pb3 126.07(18) 4_475 4_575 ? 
Pb2 K3 Pb3 68.94(7) . 4_575 ? 
Pb2 K3 Pb3 68.94(7) 4_575 4_575 ? 
Pb1 K3 Pb3 46.95(4) 4_575 4_575 ? 
Pb1 K3 Pb3 46.95(4) . 4_575 ? 
O31 K3 Pb3 146.4(3) . . ? 
O33 K3 Pb3 91.17(18) 4_575 . ? 
O33 K3 Pb3 91.17(18) . . ? 
O34 K3 Pb3 84.0(2) . . ? 
O32 K3 Pb3 126.07(18) 1_455 . ? 
O32 K3 Pb3 126.07(18) 4_475 . ? 
Pb2 K3 Pb3 68.94(7) . . ? 
Pb2 K3 Pb3 68.94(7) 4_575 . ? 
Pb1 K3 Pb3 46.95(4) 4_575 . ? 
Pb1 K3 Pb3 46.95(4) . . ? 
Pb3 K3 Pb3 0.000(4) 4_575 . ? 
C31 O31 C31 113.7(16) 1_455 4_475 ? 
C31 O31 K3 123.0(8) 1_455 . ? 
C31 O31 K3 123.0(8) 4_475 . ? 
C33 O32 C32 114.8(11) . . ? 
C33 O32 K3 100.6(7) . 1_655 ? 
C32 O32 K3 99.3(8) . 1_655 ? 
C35 O33 C34 113.0(10) . . ? 
C35 O33 K3 120.8(7) . . ? 
C34 O33 K3 124.8(8) . . ? 
C36 O34 C36 110.8(13) 4_575 . ? 
C36 O34 K3 105.1(7) 4_575 . ? 
C36 O34 K3 105.1(7) . . ? 
O31 C31 C32 109.3(12) 1_655 . ? 
O32 C32 C31 110.4(13) . . ? 
O32 C33 C34 109.9(11) . 1_655 ? 
O33 C34 C33 107.6(11) . 1_455 ? 
O33 C35 C36 109.1(10) . . ? 
O34 C36 C35 109.6(10) . . ? 
O41 K4 O43 116.0(3) . . ? 
O41 K4 O43 116.0(3) . 4_565 ? 
O43 K4 O43 112.4(5) . 4_565 ? 
O41 K4 N4 108.1(3) . . ? 
O43 K4 N4 73.8(3) . . ? 
O43 K4 N4 124.2(4) 4_565 . ? 
O41 K4 N4 108.1(3) . 4_565 ? 
O43 K4 N4 124.2(4) . 4_565 ? 
O43 K4 N4 73.8(3) 4_565 4_565 ? 
N4 K4 N4 60.8(5) . 4_565 ? 
O41 K4 O42 59.0(2) . 4_565 ? 
O43 K4 O42 146.4(3) . 4_565 ? 
O43 K4 O42 57.4(3) 4_565 4_565 ? 
N4 K4 O42 139.7(3) . 4_565 ? 
N4 K4 O42 85.8(3) 4_565 4_565 ? 
O41 K4 O42 59.0(2) . . ? 
O43 K4 O42 57.4(3) . . ? 
O43 K4 O42 146.4(3) 4_565 . ? 
N4 K4 O42 85.8(3) . . ? 
N4 K4 O42 139.7(3) 4_565 . ? 
O42 K4 O42 111.3(4) 4_565 . ? 
O41 K4 O44 146.1(5) . . ? 
O43 K4 O44 56.3(3) . . ? 
O43 K4 O44 56.3(3) 4_565 . ? 
N4 K4 O44 101.1(4) . . ? 
N4 K4 O44 101.1(4) 4_565 . ? 
O42 K4 O44 107.4(3) 4_565 . ? 
O42 K4 O44 107.4(3) . . ? 
O41 K4 C43 81.5(4) . 4_565 ? 
O43 K4 C43 145.3(6) . 4_565 ? 
O43 K4 C43 36.8(5) 4_565 4_565 ? 
N4 K4 C43 131.8(6) . 4_565 ? 
N4 K4 C43 71.2(6) 4_565 4_565 ? 
O42 K4 C43 23.3(4) 4_565 4_565 ? 
O42 K4 C43 133.9(5) . 4_565 ? 
O44 K4 C43 92.0(5) . 4_565 ? 
O41 K4 C43 81.5(4) . . ? 
O43 K4 C43 36.8(5) . . ? 
O43 K4 C43 145.3(6) 4_565 . ? 
N4 K4 C43 71.2(6) . . ? 
N4 K4 C43 131.8(6) 4_565 . ? 
O42 K4 C43 133.9(5) 4_565 . ? 
O42 K4 C43 23.3(4) . . ? 
O44 K4 C43 92.0(5) . . ? 
C43 K4 C43 155.0(10) 4_565 . ? 
C41 O41 C41 110(2) 4_565 . ? 
C41 O41 K4 119.2(9) 4_565 . ? 
C41 O41 K4 119.2(9) . . ? 
C431 O42 C43 20.8(18) . . ? 
C431 O42 C42 108.4(15) . . ? 
C43 O42 C42 128.1(18) . . ? 
C431 O42 K4 106.8(15) . . ? 
C43 O42 K4 102.9(18) . . ? 
C42 O42 K4 107.2(9) . . ? 
C45 O43 C44 91.1(19) . . ? 
C45 O43 C441 111.2(19) . . ? 
C44 O43 C441 20.7(19) . . ? 
C45 O43 C451 24(2) . . ? 
C44 O43 C451 114(2) . . ? 
C441 O43 C451 133(2) . . ? 
C45 O43 K4 131.8(16) . . ? 
C44 O43 K4 130.7(15) . . ? 
C441 O43 K4 113.8(14) . . ? 
C451 O43 K4 113.4(14) . . ? 
C461 O44 C461 84(3) 4_565 . ? 
C461 O44 C46 28(2) 4_565 4_565 ? 
C461 O44 C46 111(3) . 4_565 ? 
C461 O44 C46 111(3) 4_565 . ? 
C461 O44 C46 28(2) . . ? 
C46 O44 C46 138(3) 4_565 . ? 
C461 O44 K4 112(2) 4_565 . ? 
C461 O44 K4 112(2) . . ? 
C46 O44 K4 104.7(19) 4_565 . ? 
C46 O44 K4 104.7(19) . . ? 
O41 C41 C42 108.2(16) . . ? 
O42 C42 C41 112.1(14) . . ? 
O42 C43 C44 128(3) . . ? 
O42 C43 K4 53.8(14) . . ? 
C44 C43 K4 93.6(19) . . ? 
O42 C431 C441 102(2) . . ? 
O43 C44 C43 96(2) . . ? 
O43 C44 C45 42.2(14) . . ? 
C43 C44 C45 138(2) . . ? 
O43 C441 C431 120(2) . . ? 
O43 C45 C46 102(3) . . ? 
O43 C45 C44 46.7(13) . . ? 
C46 C45 C44 149(3) . . ? 
C461 C451 O43 121(3) . . ? 
O44 C46 C45 126(3) . . ? 
O44 C461 C451 96(2) . . ? 
O44 C461 C461 48.2(15) . 4_565 ? 
C451 C461 C461 144.6(18) . 4_565 ? 
C47 N4 K4 110.3(10) . . ? 
C47 C47 N4 128.6(9) 4_565 . ? 
C52 C51 C54 123(4) . 1_655 ? 
C51 C52 C53 120(5) . 3_666 ? 
C52 C53 C56 117(4) 3_666 1_455 ? 
C55 C54 C51 120(3) 3_666 1_455 ? 
C56 C55 C54 122(3) . 3_666 ? 
C55 C56 C53 118(3) . 1_655 ? 
C55 C56 C57 128(3) . . ? 
C53 C56 C57 114(3) 1_655 . ? 
 
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 
Pb5 Pb1 Pb2 Pb2 0.00(2) . . . 4_575 ? 
Pb4 Pb1 Pb2 Pb2 0.000(19) . . . 4_575 ? 
Pb3 Pb1 Pb2 Pb2 0.000(19) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb2 Pb2 0.000(19) . . . 4_575 ? 
K3 Pb1 Pb2 Pb2 0.00(2) . . . 4_575 ? 
Pb5 Pb1 Pb2 Pb4 -0.24(2) . . . 4_575 ? 
Pb4 Pb1 Pb2 Pb4 -48.54(2) . . . 4_575 ? 
Pb3 Pb1 Pb2 Pb4 58.82(3) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb2 Pb4 58.82(3) . . . 4_575 ? 
Pb2 Pb1 Pb2 Pb4 0(34) 4_575 . . 4_575 ? 
K3 Pb1 Pb2 Pb4 123.17(5) . . . 4_575 ? 
Pb5 Pb1 Pb2 Pb4 48.30(2) . . . . ? 
Pb3 Pb1 Pb2 Pb4 107.36(2) 4_575 . . . ? 
Pb3 Pb1 Pb2 Pb4 107.36(2) . . . . ? 
Pb2 Pb1 Pb2 Pb4 0(26) 4_575 . . . ? 
K3 Pb1 Pb2 Pb4 171.71(4) . . . . ? 
Pb5 Pb1 Pb2 Pb1 -58.87(3) . . . 4_575 ? 
Pb4 Pb1 Pb2 Pb1 -107.18(2) . . . 4_575 ? 
Pb3 Pb1 Pb2 Pb1 0.19(2) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb2 Pb1 0.19(2) . . . 4_575 ? 
Pb2 Pb1 Pb2 Pb1 0(23) 4_575 . . 4_575 ? 
K3 Pb1 Pb2 Pb1 64.53(4) . . . 4_575 ? 
Pb5 Pb1 Pb2 K3 -123.41(5) . . . . ? 
Pb4 Pb1 Pb2 K3 -171.71(4) . . . . ? 
Pb3 Pb1 Pb2 K3 -64.35(4) 4_575 . . . ? 
Pb3 Pb1 Pb2 K3 -64.35(4) . . . . ? 
Pb2 Pb1 Pb2 K3 0(11) 4_575 . . . ? 
Pb5 Pb1 Pb2 K1 77.02(6) . . . . ? 
Pb4 Pb1 Pb2 K1 28.72(6) . . . . ? 
Pb3 Pb1 Pb2 K1 136.09(6) 4_575 . . . ? 
Pb3 Pb1 Pb2 K1 136.09(6) . . . . ? 
Pb2 Pb1 Pb2 K1 0(21) 4_575 . . . ? 
K3 Pb1 Pb2 K1 -159.57(7) . . . . ? 
Pb5 Pb1 Pb3 Pb3 0.000(18) . . . 4_575 ? 
Pb4 Pb1 Pb3 Pb3 0.00(2) . . . 4_575 ? 
Pb2 Pb1 Pb3 Pb3 0.00(2) . . . 4_575 ? 
Pb2 Pb1 Pb3 Pb3 0.00(2) 4_575 . . 4_575 ? 
K3 Pb1 Pb3 Pb3 0.00(2) . . . 4_575 ? 
Pb5 Pb1 Pb3 Pb5 50.80(3) . . . 4_575 ? 
Pb4 Pb1 Pb3 Pb5 0.48(2) . . . 4_575 ? 
Pb3 Pb1 Pb3 Pb5 0(31) 4_575 . . 4_575 ? 
Pb2 Pb1 Pb3 Pb5 -57.91(2) . . . 4_575 ? 
Pb2 Pb1 Pb3 Pb5 -57.91(2) 4_575 . . 4_575 ? 
K3 Pb1 Pb3 Pb5 -121.65(5) . . . 4_575 ? 
Pb4 Pb1 Pb3 Pb5 -50.32(2) . . . . ? 
Pb3 Pb1 Pb3 Pb5 0(33) 4_575 . . . ? 
Pb2 Pb1 Pb3 Pb5 -108.71(2) . . . . ? 
Pb2 Pb1 Pb3 Pb5 -108.71(2) 4_575 . . . ? 
K3 Pb1 Pb3 Pb5 -172.45(4) . . . . ? 
Pb5 Pb1 Pb3 Pb1 108.52(2) . . . 4_575 ? 
Pb4 Pb1 Pb3 Pb1 58.20(2) . . . 4_575 ? 
Pb3 Pb1 Pb3 Pb1 0(19) 4_575 . . 4_575 ? 
Pb2 Pb1 Pb3 Pb1 -0.19(2) . . . 4_575 ? 
Pb2 Pb1 Pb3 Pb1 -0.19(2) 4_575 . . 4_575 ? 
K3 Pb1 Pb3 Pb1 -63.93(5) . . . 4_575 ? 
Pb5 Pb1 Pb3 K3 172.45(4) . . . . ? 
Pb4 Pb1 Pb3 K3 122.13(5) . . . . ? 
Pb3 Pb1 Pb3 K3 0(6) 4_575 . . . ? 
Pb2 Pb1 Pb3 K3 63.75(5) . . . . ? 
Pb2 Pb1 Pb3 K3 63.75(5) 4_575 . . . ? 
Pb5 Pb1 Pb3 K2 -21.69(5) . . . . ? 
Pb4 Pb1 Pb3 K2 -72.01(6) . . . . ? 
Pb3 Pb1 Pb3 K2 0(26) 4_575 . . . ? 
Pb2 Pb1 Pb3 K2 -130.40(6) . . . . ? 
Pb2 Pb1 Pb3 K2 -130.40(6) 4_575 . . . ? 
K3 Pb1 Pb3 K2 165.85(7) . . . . ? 
Pb2 Pb2 Pb4 Pb6 0.000(18) 4_575 . . . ? 
Pb4 Pb2 Pb4 Pb6 26.78(2) 4_575 . . . ? 
Pb1 Pb2 Pb4 Pb6 -18.99(3) 4_575 . . . ? 
Pb1 Pb2 Pb4 Pb6 -99.92(3) . . . . ? 
K3 Pb2 Pb4 Pb6 -90.52(5) . . . . ? 
K1 Pb2 Pb4 Pb6 104.37(4) . . . . ? 
Pb4 Pb2 Pb4 Pb2 0(4) 4_575 . . 4_575 ? 
Pb1 Pb2 Pb4 Pb2 0(6) 4_575 . . 4_575 ? 
Pb1 Pb2 Pb4 Pb2 0(21) . . . 4_575 ? 
K3 Pb2 Pb4 Pb2 0(17) . . . 4_575 ? 
K1 Pb2 Pb4 Pb2 0(17) . . . 4_575 ? 
Pb2 Pb2 Pb4 Pb1 0.000(18) 4_575 . . . ? 
Pb4 Pb2 Pb4 Pb1 126.70(2) 4_575 . . . ? 
Pb1 Pb2 Pb4 Pb1 80.94(3) 4_575 . . . ? 
K3 Pb2 Pb4 Pb1 9.40(4) . . . . ? 
K1 Pb2 Pb4 Pb1 -155.70(3) . . . . ? 
Pb2 Pb2 Pb4 Pb4 0.000(8) 4_575 . . 4_575 ? 
Pb1 Pb2 Pb4 Pb4 -45.767(13) 4_575 . . 4_575 ? 
Pb1 Pb2 Pb4 Pb4 -126.70(2) . . . 4_575 ? 
K3 Pb2 Pb4 Pb4 -117.30(5) . . . 4_575 ? 
K1 Pb2 Pb4 Pb4 77.59(3) . . . 4_575 ? 
Pb2 Pb2 Pb4 Pb5 0.000(15) 4_575 . . . ? 
Pb4 Pb2 Pb4 Pb5 84.900(19) 4_575 . . . ? 
Pb1 Pb2 Pb4 Pb5 39.13(2) 4_575 . . . ? 
Pb1 Pb2 Pb4 Pb5 -41.805(16) . . . . ? 
K3 Pb2 Pb4 Pb5 -32.40(5) . . . . ? 
K1 Pb2 Pb4 Pb5 162.49(3) . . . . ? 
Pb2 Pb2 Pb4 K1 0.000(15) 4_575 . . . ? 
Pb4 Pb2 Pb4 K1 -77.59(3) 4_575 . . . ? 
Pb1 Pb2 Pb4 K1 -123.36(4) 4_575 . . . ? 
Pb1 Pb2 Pb4 K1 155.70(3) . . . . ? 
K3 Pb2 Pb4 K1 165.10(5) . . . . ? 
Pb5 Pb1 Pb4 Pb6 -25.954(17) . . . . ? 
Pb3 Pb1 Pb4 Pb6 21.21(2) 4_575 . . . ? 
Pb3 Pb1 Pb4 Pb6 21.21(2) . . . . ? 
Pb2 Pb1 Pb4 Pb6 102.27(2) . . . . ? 
Pb2 Pb1 Pb4 Pb6 102.27(2) 4_575 . . . ? 
K3 Pb1 Pb4 Pb6 93.01(6) . . . . ? 
Pb5 Pb1 Pb4 Pb2 -128.224(19) . . . 4_575 ? 
Pb3 Pb1 Pb4 Pb2 -81.06(3) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb4 Pb2 -81.06(3) . . . 4_575 ? 
Pb2 Pb1 Pb4 Pb2 0.0 . . . 4_575 ? 
K3 Pb1 Pb4 Pb2 -9.26(5) . . . 4_575 ? 
Pb5 Pb1 Pb4 Pb2 -128.224(19) . . . . ? 
Pb3 Pb1 Pb4 Pb2 -81.06(3) 4_575 . . . ? 
Pb3 Pb1 Pb4 Pb2 -81.06(3) . . . . ? 
Pb2 Pb1 Pb4 Pb2 0.0 4_575 . . . ? 
K3 Pb1 Pb4 Pb2 -9.26(5) . . . . ? 
Pb5 Pb1 Pb4 Pb4 -84.752(11) . . . 4_575 ? 
Pb3 Pb1 Pb4 Pb4 -37.591(18) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb4 Pb4 -37.591(18) . . . 4_575 ? 
Pb2 Pb1 Pb4 Pb4 43.472(16) . . . 4_575 ? 
Pb2 Pb1 Pb4 Pb4 43.472(16) 4_575 . . 4_575 ? 
K3 Pb1 Pb4 Pb4 34.21(5) . . . 4_575 ? 
Pb3 Pb1 Pb4 Pb5 47.161(19) 4_575 . . . ? 
Pb3 Pb1 Pb4 Pb5 47.161(19) . . . . ? 
Pb2 Pb1 Pb4 Pb5 128.224(19) . . . . ? 
Pb2 Pb1 Pb4 Pb5 128.224(19) 4_575 . . . ? 
K3 Pb1 Pb4 Pb5 118.97(5) . . . . ? 
Pb5 Pb1 Pb4 K1 -153.70(3) . . . . ? 
Pb3 Pb1 Pb4 K1 -106.54(3) 4_575 . . . ? 
Pb3 Pb1 Pb4 K1 -106.54(3) . . . . ? 
Pb2 Pb1 Pb4 K1 -25.48(3) . . . . ? 
Pb2 Pb1 Pb4 K1 -25.48(3) 4_575 . . . ? 
K3 Pb1 Pb4 K1 -34.74(6) . . . . ? 
Pb4 Pb1 Pb5 Pb6 26.236(16) . . . . ? 
Pb3 Pb1 Pb5 Pb6 -99.19(2) 4_575 . . . ? 
Pb3 Pb1 Pb5 Pb6 -99.19(2) . . . . ? 
Pb2 Pb1 Pb5 Pb6 -18.62(2) . . . . ? 
Pb2 Pb1 Pb5 Pb6 -18.62(2) 4_575 . . . ? 
K3 Pb1 Pb5 Pb6 -90.55(6) . . . . ? 
Pb4 Pb1 Pb5 Pb3 125.429(17) . . . 4_575 ? 
Pb3 Pb1 Pb5 Pb3 0.0 . . . 4_575 ? 
Pb2 Pb1 Pb5 Pb3 80.57(2) . . . 4_575 ? 
Pb2 Pb1 Pb5 Pb3 80.57(2) 4_575 . . 4_575 ? 
K3 Pb1 Pb5 Pb3 8.65(5) . . . 4_575 ? 
Pb4 Pb1 Pb5 Pb3 125.429(17) . . . . ? 
Pb3 Pb1 Pb5 Pb3 0.0 4_575 . . . ? 
Pb2 Pb1 Pb5 Pb3 80.57(2) . . . . ? 
Pb2 Pb1 Pb5 Pb3 80.57(2) 4_575 . . . ? 
K3 Pb1 Pb5 Pb3 8.65(5) . . . . ? 
Pb3 Pb1 Pb5 Pb4 -125.429(18) 4_575 . . . ? 
Pb3 Pb1 Pb5 Pb4 -125.429(18) . . . . ? 
Pb2 Pb1 Pb5 Pb4 -44.857(17) . . . . ? 
Pb2 Pb1 Pb5 Pb4 -44.857(17) 4_575 . . . ? 
K3 Pb1 Pb5 Pb4 -116.78(5) . . . . ? 
Pb4 Pb1 Pb5 Pb5 82.744(11) . . . 4_575 ? 
Pb3 Pb1 Pb5 Pb5 -42.686(13) 4_575 . . 4_575 ? 
Pb3 Pb1 Pb5 Pb5 -42.686(13) . . . 4_575 ? 
Pb2 Pb1 Pb5 Pb5 37.886(17) . . . 4_575 ? 
Pb2 Pb1 Pb5 Pb5 37.886(17) 4_575 . . 4_575 ? 
K3 Pb1 Pb5 Pb5 -34.04(5) . . . 4_575 ? 
Pb4 Pb1 Pb5 K2 147.37(3) . . . . ? 
Pb3 Pb1 Pb5 K2 21.95(3) 4_575 . . . ? 
Pb3 Pb1 Pb5 K2 21.95(3) . . . . ? 
Pb2 Pb1 Pb5 K2 102.52(3) . . . . ? 
Pb2 Pb1 Pb5 K2 102.52(3) 4_575 . . . ? 
K3 Pb1 Pb5 K2 30.59(6) . . . . ? 
Pb3 Pb3 Pb5 Pb6 0.00(4) 4_575 . . . ? 
Pb5 Pb3 Pb5 Pb6 -23.95(2) 4_575 . . . ? 
Pb1 Pb3 Pb5 Pb6 102.33(3) . . . . ? 
Pb1 Pb3 Pb5 Pb6 22.01(2) 4_575 . . . ? 
K3 Pb3 Pb5 Pb6 93.90(5) . . . . ? 
K2 Pb3 Pb5 Pb6 -97.40(4) . . . . ? 
Pb3 Pb3 Pb5 Pb1 0.00(4) 4_575 . . . ? 
Pb5 Pb3 Pb5 Pb1 -126.278(19) 4_575 . . . ? 
Pb1 Pb3 Pb5 Pb1 -80.32(3) 4_575 . . . ? 
K3 Pb3 Pb5 Pb1 -8.43(4) . . . . ? 
K2 Pb3 Pb5 Pb1 160.27(4) . . . . ? 
Pb5 Pb3 Pb5 Pb3 0(8) 4_575 . . 4_575 ? 
Pb1 Pb3 Pb5 Pb3 0(33) . . . 4_575 ? 
Pb1 Pb3 Pb5 Pb3 0(17) 4_575 . . 4_575 ? 
K3 Pb3 Pb5 Pb3 0(31) . . . 4_575 ? 
K2 Pb3 Pb5 Pb3 0(7) . . . 4_575 ? 
Pb3 Pb3 Pb5 Pb4 0.00(4) 4_575 . . . ? 
Pb5 Pb3 Pb5 Pb4 -82.105(17) 4_575 . . . ? 
Pb1 Pb3 Pb5 Pb4 44.17(2) . . . . ? 
Pb1 Pb3 Pb5 Pb4 -36.15(2) 4_575 . . . ? 
K3 Pb3 Pb5 Pb4 35.74(5) . . . . ? 
K2 Pb3 Pb5 Pb4 -155.56(4) . . . . ? 
Pb3 Pb3 Pb5 Pb5 0.00(3) 4_575 . . 4_575 ? 
Pb1 Pb3 Pb5 Pb5 126.278(19) . . . 4_575 ? 
Pb1 Pb3 Pb5 Pb5 45.955(18) 4_575 . . 4_575 ? 
K3 Pb3 Pb5 Pb5 117.85(5) . . . 4_575 ? 
K2 Pb3 Pb5 Pb5 -73.45(4) . . . 4_575 ? 
Pb3 Pb3 Pb5 K2 0.00(4) 4_575 . . . ? 
Pb5 Pb3 Pb5 K2 73.45(4) 4_575 . . . ? 
Pb1 Pb3 Pb5 K2 -160.27(4) . . . . ? 
Pb1 Pb3 Pb5 K2 119.41(4) 4_575 . . . ? 
K3 Pb3 Pb5 K2 -168.70(5) . . . . ? 
Pb2 Pb4 Pb5 Pb6 -105.94(2) 4_575 . . . ? 
Pb2 Pb4 Pb5 Pb6 -105.94(2) . . . . ? 
Pb1 Pb4 Pb5 Pb6 -150.027(18) . . . . ? 
Pb4 Pb4 Pb5 Pb6 -48.642(13) 4_575 . . . ? 
K1 Pb4 Pb5 Pb6 -60.73(13) . . . . ? 
Pb6 Pb4 Pb5 Pb1 150.027(18) . . . . ? 
Pb2 Pb4 Pb5 Pb1 44.090(17) 4_575 . . . ? 
Pb2 Pb4 Pb5 Pb1 44.090(17) . . . . ? 
Pb4 Pb4 Pb5 Pb1 101.385(12) 4_575 . . . ? 
K1 Pb4 Pb5 Pb1 89.30(13) . . . . ? 
Pb6 Pb4 Pb5 Pb3 104.05(2) . . . 4_575 ? 
Pb2 Pb4 Pb5 Pb3 -1.888(17) 4_575 . . 4_575 ? 
Pb2 Pb4 Pb5 Pb3 -1.888(17) . . . 4_575 ? 
Pb1 Pb4 Pb5 Pb3 -45.978(17) . . . 4_575 ? 
Pb4 Pb4 Pb5 Pb3 55.407(13) 4_575 . . 4_575 ? 
K1 Pb4 Pb5 Pb3 43.32(13) . . . 4_575 ? 
Pb6 Pb4 Pb5 Pb3 104.05(2) . . . . ? 
Pb2 Pb4 Pb5 Pb3 -1.888(17) 4_575 . . . ? 
Pb2 Pb4 Pb5 Pb3 -1.888(17) . . . . ? 
Pb1 Pb4 Pb5 Pb3 -45.978(17) . . . . ? 
Pb4 Pb4 Pb5 Pb3 55.407(13) 4_575 . . . ? 
K1 Pb4 Pb5 Pb3 43.32(13) . . . . ? 
Pb6 Pb4 Pb5 Pb5 48.640(13) . . . 4_575 ? 
Pb2 Pb4 Pb5 Pb5 -57.297(13) 4_575 . . 4_575 ? 
Pb2 Pb4 Pb5 Pb5 -57.297(13) . . . 4_575 ? 
Pb1 Pb4 Pb5 Pb5 -101.387(12) . . . 4_575 ? 
Pb4 Pb4 Pb5 Pb5 0.0 4_575 . . 4_575 ? 
K1 Pb4 Pb5 Pb5 -12.09(13) . . . 4_575 ? 
Pb6 Pb4 Pb5 K2 47.90(12) . . . . ? 
Pb2 Pb4 Pb5 K2 -58.04(12) 4_575 . . . ? 
Pb2 Pb4 Pb5 K2 -58.04(12) . . . . ? 
Pb1 Pb4 Pb5 K2 -102.13(12) . . . . ? 
Pb4 Pb4 Pb5 K2 -0.74(12) 4_575 . . . ? 
K1 Pb4 Pb5 K2 -12.83(18) . . . . ? 
Pb1 Pb5 Pb6 Pb5 88.04(2) . . . 4_575 ? 
Pb3 Pb5 Pb6 Pb5 24.15(2) 4_575 . . 4_575 ? 
Pb3 Pb5 Pb6 Pb5 24.15(2) . . . 4_575 ? 
Pb4 Pb5 Pb6 Pb5 114.467(17) . . . 4_575 ? 
K2 Pb5 Pb6 Pb5 -45.13(4) . . . 4_575 ? 
Pb1 Pb5 Pb6 Pb4 -26.424(19) . . . . ? 
Pb3 Pb5 Pb6 Pb4 -90.32(2) 4_575 . . . ? 
Pb3 Pb5 Pb6 Pb4 -90.32(2) . . . . ? 
Pb5 Pb5 Pb6 Pb4 -114.467(17) 4_575 . . . ? 
K2 Pb5 Pb6 Pb4 -159.60(4) . . . . ? 
Pb1 Pb5 Pb6 Pb4 29.49(2) . . . 4_575 ? 
Pb3 Pb5 Pb6 Pb4 -34.40(2) 4_575 . . 4_575 ? 
Pb3 Pb5 Pb6 Pb4 -34.40(2) . . . 4_575 ? 
Pb4 Pb5 Pb6 Pb4 55.92(2) . . . 4_575 ? 
Pb5 Pb5 Pb6 Pb4 -58.55(2) 4_575 . . 4_575 ? 
K2 Pb5 Pb6 Pb4 -103.68(5) . . . 4_575 ? 
Pb2 Pb4 Pb6 Pb5 29.78(2) 4_575 . . 4_575 ? 
Pb2 Pb4 Pb6 Pb5 29.78(2) . . . 4_575 ? 
Pb1 Pb4 Pb6 Pb5 -34.39(2) . . . 4_575 ? 
Pb4 Pb4 Pb6 Pb5 56.646(16) 4_575 . . 4_575 ? 
Pb5 Pb4 Pb6 Pb5 -60.32(2) . . . 4_575 ? 
K1 Pb4 Pb6 Pb5 98.80(5) . . . 4_575 ? 
Pb2 Pb4 Pb6 Pb5 90.10(2) 4_575 . . . ? 
Pb2 Pb4 Pb6 Pb5 90.10(2) . . . . ? 
Pb1 Pb4 Pb6 Pb5 25.934(16) . . . . ? 
Pb4 Pb4 Pb6 Pb5 116.97(2) 4_575 . . . ? 
K1 Pb4 Pb6 Pb5 159.12(5) . . . . ? 
Pb2 Pb4 Pb6 Pb4 -26.87(2) 4_575 . . 4_575 ? 
Pb2 Pb4 Pb6 Pb4 -26.87(2) . . . 4_575 ? 
Pb1 Pb4 Pb6 Pb4 -91.03(2) . . . 4_575 ? 
Pb5 Pb4 Pb6 Pb4 -116.97(2) . . . 4_575 ? 
K1 Pb4 Pb6 Pb4 42.15(5) . . . 4_575 ? 
O2 K1 O1 O1 171.5(4) 4_575 . . 4_575 ? 
O2 K1 O1 O1 7.6(4) . . . 4_575 ? 
O4 K1 O1 O1 113.5(5) 2_655 . . 4_575 ? 
O4 K1 O1 O1 80.9(6) 3_665 . . 4_575 ? 
O13 K1 O1 O1 142.0(4) 2_655 . . 4_575 ? 
O13 K1 O1 O1 41.6(4) 3_665 . . 4_575 ? 
O12 K1 O1 O1 2.4(5) . . . 4_575 ? 
O12 K1 O1 O1 177.2(6) 4_575 . . 4_575 ? 
O3 K1 O1 O1 30.9(3) 3_665 . . 4_575 ? 
O3 K1 O1 O1 150.0(3) 2_655 . . 4_575 ? 
O2 K1 O1 C1 -68(2) 4_575 . . 4_575 ? 
O2 K1 O1 C1 129(2) . . . 4_575 ? 
O4 K1 O1 C1 -126(2) 2_655 . . 4_575 ? 
O4 K1 O1 C1 -158(2) 3_665 . . 4_575 ? 
O1 K1 O1 C1 121(2) 4_575 . . 4_575 ? 
O13 K1 O1 C1 -97(2) 2_655 . . 4_575 ? 
O13 K1 O1 C1 163(2) 3_665 . . 4_575 ? 
O12 K1 O1 C1 123(2) . . . 4_575 ? 
O12 K1 O1 C1 -62(2) 4_575 . . 4_575 ? 
O3 K1 O1 C1 152(2) 3_665 . . 4_575 ? 
O3 K1 O1 C1 -89(2) 2_655 . . 4_575 ? 
O2 K1 O1 C11 -33.3(16) 4_575 . . 4_575 ? 
O2 K1 O1 C11 162.8(17) . . . 4_575 ? 
O4 K1 O1 C11 -91.3(17) 2_655 . . 4_575 ? 
O4 K1 O1 C11 -123.9(16) 3_665 . . 4_575 ? 
O1 K1 O1 C11 155.2(16) 4_575 . . 4_575 ? 
O13 K1 O1 C11 -62.8(16) 2_655 . . 4_575 ? 
O13 K1 O1 C11 -163.2(16) 3_665 . . 4_575 ? 
O12 K1 O1 C11 157.5(17) . . . 4_575 ? 
O12 K1 O1 C11 -27.7(16) 4_575 . . 4_575 ? 
O3 K1 O1 C11 -173.9(16) 3_665 . . 4_575 ? 
O3 K1 O1 C11 -54.8(16) 2_655 . . 4_575 ? 
O2 K1 O1 C1 -157.4(14) 4_575 . . . ? 
O2 K1 O1 C1 38.7(12) . . . . ? 
O4 K1 O1 C1 144.5(12) 2_655 . . . ? 
O4 K1 O1 C1 112.0(13) 3_665 . . . ? 
O1 K1 O1 C1 31.0(12) 4_575 . . . ? 
O13 K1 O1 C1 173.1(12) 2_655 . . . ? 
O13 K1 O1 C1 72.7(13) 3_665 . . . ? 
O12 K1 O1 C1 33.4(12) . . . . ? 
O12 K1 O1 C1 -151.8(15) 4_575 . . . ? 
O3 K1 O1 C1 61.9(13) 3_665 . . . ? 
O3 K1 O1 C1 -178.9(13) 2_655 . . . ? 
O2 K1 O1 C12 -4.3(12) 4_575 . . 4_575 ? 
O2 K1 O1 C12 -168.2(14) . . . 4_575 ? 
O4 K1 O1 C12 -62.4(14) 2_655 . . 4_575 ? 
O4 K1 O1 C12 -95.0(14) 3_665 . . 4_575 ? 
O1 K1 O1 C12 -175.9(12) 4_575 . . 4_575 ? 
O13 K1 O1 C12 -33.8(14) 2_655 . . 4_575 ? 
O13 K1 O1 C12 -134.2(13) 3_665 . . 4_575 ? 
O12 K1 O1 C12 -173.5(14) . . . 4_575 ? 
O12 K1 O1 C12 1.3(12) 4_575 . . 4_575 ? 
O3 K1 O1 C12 -145.0(13) 3_665 . . 4_575 ? 
O3 K1 O1 C12 -25.8(13) 2_655 . . 4_575 ? 
O2 K1 O2 O12 -33(2) 4_575 . . . ? 
O4 K1 O2 O12 -151.7(19) 2_655 . . . ? 
O4 K1 O2 O12 -160.0(19) 3_665 . . . ? 
O1 K1 O2 O12 -16.4(19) . . . . ? 
O1 K1 O2 O12 -14.4(18) 4_575 . . . ? 
O13 K1 O2 O12 -115(2) 2_655 . . . ? 
O13 K1 O2 O12 -162(2) 3_665 . . . ? 
O12 K1 O2 O12 -24.1(18) 4_575 . . . ? 
O3 K1 O2 O12 -160(2) 3_665 . . . ? 
O3 K1 O2 O12 -87(2) 2_655 . . . ? 
O2 K1 O2 C13 83(5) 4_575 . . . ? 
O4 K1 O2 C13 -35(5) 2_655 . . . ? 
O4 K1 O2 C13 -44(5) 3_665 . . . ? 
O1 K1 O2 C13 100(5) . . . . ? 
O1 K1 O2 C13 102(5) 4_575 . . . ? 
O13 K1 O2 C13 1(5) 2_655 . . . ? 
O13 K1 O2 C13 -45(5) 3_665 . . . ? 
O12 K1 O2 C13 116(6) . . . . ? 
O12 K1 O2 C13 92(5) 4_575 . . . ? 
O3 K1 O2 C13 -44(5) 3_665 . . . ? 
O3 K1 O2 C13 29(6) 2_655 . . . ? 
O2 K1 O2 C3 135.0(17) 4_575 . . . ? 
O4 K1 O2 C3 16.7(19) 2_655 . . . ? 
O4 K1 O2 C3 8.4(19) 3_665 . . . ? 
O1 K1 O2 C3 152.1(19) . . . . ? 
O1 K1 O2 C3 154.0(19) 4_575 . . . ? 
O13 K1 O2 C3 54(2) 2_655 . . . ? 
O13 K1 O2 C3 6.8(18) 3_665 . . . ? 
O12 K1 O2 C3 168(3) . . . . ? 
O12 K1 O2 C3 144.3(18) 4_575 . . . ? 
O3 K1 O2 C3 8.4(17) 3_665 . . . ? 
O3 K1 O2 C3 81.5(19) 2_655 . . . ? 
O2 K1 O2 C2 -16(2) 4_575 . . . ? 
O4 K1 O2 C2 -133.9(16) 2_655 . . . ? 
O4 K1 O2 C2 -142.2(16) 3_665 . . . ? 
O1 K1 O2 C2 1.5(16) . . . . ? 
O1 K1 O2 C2 3.4(15) 4_575 . . . ? 
O13 K1 O2 C2 -97.0(18) 2_655 . . . ? 
O13 K1 O2 C2 -143.8(18) 3_665 . . . ? 
O12 K1 O2 C2 18(2) . . . . ? 
O12 K1 O2 C2 -6.3(18) 4_575 . . . ? 
O3 K1 O2 C2 -142.2(18) 3_665 . . . ? 
O3 K1 O2 C2 -69.1(19) 2_655 . . . ? 
O2 K1 O2 C14 146.5(14) 4_575 . . . ? 
O4 K1 O2 C14 28.2(16) 2_655 . . . ? 
O4 K1 O2 C14 19.9(15) 3_665 . . . ? 
O1 K1 O2 C14 163.6(16) . . . . ? 
O1 K1 O2 C14 165.5(16) 4_575 . . . ? 
O13 K1 O2 C14 65.1(17) 2_655 . . . ? 
O13 K1 O2 C14 18.3(15) 3_665 . . . ? 
O12 K1 O2 C14 180(3) . . . . ? 
O12 K1 O2 C14 155.8(15) 4_575 . . . ? 
O3 K1 O2 C14 19.9(15) 3_665 . . . ? 
O3 K1 O2 C14 93.0(17) 2_655 . . . ? 
C13 O2 O12 C2 -24(5) . . . . ? 
C3 O2 O12 C2 -30(7) . . . . ? 
C14 O2 O12 C2 -43(7) . . . . ? 
K1 O2 O12 C2 137(5) . . . . ? 
C13 O2 O12 C12 -80(10) . . . . ? 
C3 O2 O12 C12 -86(10) . . . . ? 
C2 O2 O12 C12 -56(9) . . . . ? 
C14 O2 O12 C12 -99(10) . . . . ? 
K1 O2 O12 C12 81(10) . . . . ? 
C3 O2 O12 C13 -6(3) . . . . ? 
C2 O2 O12 C13 24(5) . . . . ? 
C14 O2 O12 C13 -19(4) . . . . ? 
K1 O2 O12 C13 161.4(18) . . . . ? 
C13 O2 O12 C11 -176(6) . . . . ? 
C3 O2 O12 C11 178(5) . . . . ? 
C2 O2 O12 C11 -152(10) . . . . ? 
C14 O2 O12 C11 166(4) . . . . ? 
K1 O2 O12 C11 -15(7) . . . . ? 
C13 O2 O12 K1 -161.4(18) . . . . ? 
C3 O2 O12 K1 -168(3) . . . . ? 
C2 O2 O12 K1 -137(5) . . . . ? 
C14 O2 O12 K1 -180(5) . . . . ? 
O2 K1 O12 C2 28(6) 4_575 . . . ? 
O2 K1 O12 C2 -123(6) . . . . ? 
O4 K1 O12 C2 -90(6) 2_655 . . . ? 
O4 K1 O12 C2 -102(6) 3_665 . . . ? 
O1 K1 O12 C2 38(5) . . . . ? 
O1 K1 O12 C2 39(5) 4_575 . . . ? 
O13 K1 O12 C2 -40(6) 2_655 . . . ? 
O13 K1 O12 C2 -107(6) 3_665 . . . ? 
O12 K1 O12 C2 35(6) 4_575 . . . ? 
O3 K1 O12 C2 -107(6) 3_665 . . . ? 
O3 K1 O12 C2 -13(6) 2_655 . . . ? 
O2 K1 O12 O2 151(2) 4_575 . . . ? 
O4 K1 O12 O2 33(2) 2_655 . . . ? 
O4 K1 O12 O2 21(2) 3_665 . . . ? 
O1 K1 O12 O2 161(2) . . . . ? 
O1 K1 O12 O2 162(2) 4_575 . . . ? 
O13 K1 O12 O2 83(2) 2_655 . . . ? 
O13 K1 O12 O2 16.3(19) 3_665 . . . ? 
O12 K1 O12 O2 157.6(17) 4_575 . . . ? 
O3 K1 O12 O2 15.6(18) 3_665 . . . ? 
O3 K1 O12 O2 110(2) 2_655 . . . ? 
O2 K1 O12 C12 -9.1(18) 4_575 . . . ? 
O2 K1 O12 C12 -160(3) . . . . ? 
O4 K1 O12 C12 -127.1(17) 2_655 . . . ? 
O4 K1 O12 C12 -139.1(17) 3_665 . . . ? 
O1 K1 O12 C12 0.9(16) . . . . ? 
O1 K1 O12 C12 1.7(16) 4_575 . . . ? 
O13 K1 O12 C12 -77.5(19) 2_655 . . . ? 
O13 K1 O12 C12 -144.0(18) 3_665 . . . ? 
O12 K1 O12 C12 -3(2) 4_575 . . . ? 
O3 K1 O12 C12 -144.7(19) 3_665 . . . ? 
O3 K1 O12 C12 -50(2) 2_655 . . . ? 
O2 K1 O12 C13 133.6(16) 4_575 . . . ? 
O2 K1 O12 C13 -17.6(18) . . . . ? 
O4 K1 O12 C13 15.6(18) 2_655 . . . ? 
O4 K1 O12 C13 3.6(17) 3_665 . . . ? 
O1 K1 O12 C13 143.6(17) . . . . ? 
O1 K1 O12 C13 144.3(18) 4_575 . . . ? 
O13 K1 O12 C13 65.1(19) 2_655 . . . ? 
O13 K1 O12 C13 -1.4(15) 3_665 . . . ? 
O12 K1 O12 C13 140.0(14) 4_575 . . . ? 
O3 K1 O12 C13 -2.0(15) 3_665 . . . ? 
O3 K1 O12 C13 92.6(17) 2_655 . . . ? 
O2 K1 O12 C11 -34.8(14) 4_575 . . . ? 
O2 K1 O12 C11 174(3) . . . . ? 
O4 K1 O12 C11 -152.8(13) 2_655 . . . ? 
O4 K1 O12 C11 -164.8(13) 3_665 . . . ? 
O1 K1 O12 C11 -24.8(13) . . . . ? 
O1 K1 O12 C11 -24.0(13) 4_575 . . . ? 
O13 K1 O12 C11 -103.2(15) 2_655 . . . ? 
O13 K1 O12 C11 -169.7(15) 3_665 . . . ? 
O12 K1 O12 C11 -28.4(16) 4_575 . . . ? 
O3 K1 O12 C11 -170.3(15) 3_665 . . . ? 
O3 K1 O12 C11 -75.7(15) 2_655 . . . ? 
C4 O3 O13 C5 -15(3) 3_665 . . . ? 
C14 O3 O13 C5 -26(6) 3_665 . . . ? 
C3 O3 O13 C5 -46(12) 3_665 . . . ? 
K1 O3 O13 C5 -128(2) 3_665 . . . ? 
C4 O3 O13 C15 -5(6) 3_665 . . . ? 
C14 O3 O13 C15 -17(8) 3_665 . . . ? 
C5 O3 O13 C15 9(4) . . . . ? 
C3 O3 O13 C15 -37(15) 3_665 . . . ? 
K1 O3 O13 C15 -119(5) 3_665 . . . ? 
C14 O3 O13 C4 -11(5) 3_665 . . 3_665 ? 
C5 O3 O13 C4 15(3) . . . 3_665 ? 
C3 O3 O13 C4 -31(11) 3_665 . . 3_665 ? 
K1 O3 O13 C4 -113.1(18) 3_665 . . 3_665 ? 
C4 O3 O13 C6 -79(7) 3_665 . . . ? 
C14 O3 O13 C6 -90(8) 3_665 . . . ? 
C5 O3 O13 C6 -64(6) . . . . ? 
C3 O3 O13 C6 -110(12) 3_665 . . . ? 
K1 O3 O13 C6 168(7) 3_665 . . . ? 
C4 O3 O13 K1 113.1(18) 3_665 . . 3_665 ? 
C14 O3 O13 K1 102(5) 3_665 . . 3_665 ? 
C5 O3 O13 K1 128(2) . . . 3_665 ? 
C3 O3 O13 K1 82(12) 3_665 . . 3_665 ? 
O1 O1 C1 C11 13(3) 4_575 . . . ? 
C1 O1 C1 C11 -167(3) 4_575 . . . ? 
C11 O1 C1 C11 -159(5) 4_575 . . . ? 
C12 O1 C1 C11 175(4) 4_575 . . . ? 
K1 O1 C1 C11 -41(4) . . . . ? 
C1 O1 C1 O1 180.000(12) 4_575 . . 4_575 ? 
C11 O1 C1 O1 -171.9(17) 4_575 . . 4_575 ? 
C12 O1 C1 O1 161.7(15) 4_575 . . 4_575 ? 
K1 O1 C1 O1 -54.0(18) . . . 4_575 ? 
O1 O1 C1 C12 -16.5(13) 4_575 . . . ? 
C1 O1 C1 C12 163.5(13) 4_575 . . . ? 
C11 O1 C1 C12 172(2) 4_575 . . . ? 
C12 O1 C1 C12 145(3) 4_575 . . . ? 
K1 O1 C1 C12 -70(2) . . . . ? 
O1 O1 C1 C1 180.000(11) 4_575 . . 4_575 ? 
C11 O1 C1 C1 8.1(17) 4_575 . . 4_575 ? 
C12 O1 C1 C1 -18.3(15) 4_575 . . 4_575 ? 
K1 O1 C1 C1 126.0(18) . . . 4_575 ? 
O1 C1 C11 C12 -73(5) 4_575 . . . ? 
O1 C1 C11 C12 -78(6) . . . . ? 
C1 C1 C11 C12 -97(8) 4_575 . . . ? 
C12 C1 C11 O1 73(5) . . . 4_575 ? 
O1 C1 C11 O1 -5.1(11) . . . 4_575 ? 
C1 C1 C11 O1 -24(5) 4_575 . . 4_575 ? 
O1 C1 C11 C2 -45(8) 4_575 . . . ? 
C12 C1 C11 C2 27(5) . . . . ? 
O1 C1 C11 C2 -50(9) . . . . ? 
C1 C1 C11 C2 -70(11) 4_575 . . . ? 
O1 C1 C11 O12 13(8) 4_575 . . . ? 
C12 C1 C11 O12 86(8) . . . . ? 
O1 C1 C11 O12 8(9) . . . . ? 
C1 C1 C11 O12 -11(13) 4_575 . . . ? 
C2 O12 C11 C12 -14(4) . . . . ? 
O2 O12 C11 C12 144(6) . . . . ? 
C13 O12 C11 C12 -30(5) . . . . ? 
K1 O12 C11 C12 131(3) . . . . ? 
C2 O12 C11 C1 -119(8) . . . . ? 
O2 O12 C11 C1 39(11) . . . . ? 
C12 O12 C11 C1 -105(8) . . . . ? 
C13 O12 C11 C1 -135(7) . . . . ? 
K1 O12 C11 C1 26(7) . . . . ? 
C2 O12 C11 O1 -109(3) . . . 4_575 ? 
O2 O12 C11 O1 49(7) . . . 4_575 ? 
C12 O12 C11 O1 -95(3) . . . 4_575 ? 
C13 O12 C11 O1 -125(3) . . . 4_575 ? 
K1 O12 C11 O1 36.4(18) . . . 4_575 ? 
O2 O12 C11 C2 158(8) . . . . ? 
C12 O12 C11 C2 14(4) . . . . ? 
C13 O12 C11 C2 -15(4) . . . . ? 
K1 O12 C11 C2 146(3) . . . . ? 
O2 O12 C2 C12 -156(4) . . . . ? 
C13 O12 C2 C12 -177(4) . . . . ? 
C11 O12 C2 C12 12(3) . . . . ? 
K1 O12 C2 C12 -59(7) . . . . ? 
O2 O12 C2 C11 -168(4) . . . . ? 
C12 O12 C2 C11 -12(3) . . . . ? 
C13 O12 C2 C11 171(2) . . . . ? 
K1 O12 C2 C11 -71(5) . . . . ? 
O2 O12 C2 C13 21(5) . . . . ? 
C12 O12 C2 C13 177(4) . . . . ? 
C11 O12 C2 C13 -171(2) . . . . ? 
K1 O12 C2 C13 118(5) . . . . ? 
C12 O12 C2 O2 156(4) . . . . ? 
C13 O12 C2 O2 -21(5) . . . . ? 
C11 O12 C2 O2 168(4) . . . . ? 
K1 O12 C2 O2 97(7) . . . . ? 
C12 C11 C2 O12 156(7) . . . . ? 
C1 C11 C2 O12 111(8) . . . . ? 
O1 C11 C2 O12 77(3) 4_575 . . . ? 
C1 C11 C2 C12 -45(8) . . . . ? 
O1 C11 C2 C12 -79(5) 4_575 . . . ? 
O12 C11 C2 C12 -156(7) . . . . ? 
C12 C11 C2 C13 173(8) . . . . ? 
C1 C11 C2 C13 128(8) . . . . ? 
O1 C11 C2 C13 94(5) 4_575 . . . ? 
O12 C11 C2 C13 16(4) . . . . ? 
C12 C11 C2 O2 151(6) . . . . ? 
C1 C11 C2 O2 106(8) . . . . ? 
O1 C11 C2 O2 72(3) 4_575 . . . ? 
O12 C11 C2 O2 -5.0(18) . . . . ? 
C13 O2 C2 O12 153(6) . . . . ? 
C3 O2 C2 O12 156(5) . . . . ? 
C14 O2 C2 O12 151(5) . . . . ? 
K1 O2 C2 O12 -49(5) . . . . ? 
O12 O2 C2 C12 29(5) . . . . ? 
C13 O2 C2 C12 -177(5) . . . . ? 
C3 O2 C2 C12 -175(4) . . . . ? 
C14 O2 C2 C12 -180(4) . . . . ? 
K1 O2 C2 C12 -20(5) . . . . ? 
O12 O2 C2 C11 12(4) . . . . ? 
C13 O2 C2 C11 165(3) . . . . ? 
C3 O2 C2 C11 168(2) . . . . ? 
C14 O2 C2 C11 163(2) . . . . ? 
K1 O2 C2 C11 -37(2) . . . . ? 
O12 O2 C2 C13 -153(6) . . . . ? 
C3 O2 C2 C13 3(2) . . . . ? 
C14 O2 C2 C13 -2(2) . . . . ? 
K1 O2 C2 C13 157.2(19) . . . . ? 
C1 C11 C12 C2 155(5) . . . . ? 
O1 C11 C12 C2 108(4) 4_575 . . . ? 
O12 C11 C12 C2 13(4) . . . . ? 
C1 C11 C12 O12 141(5) . . . . ? 
O1 C11 C12 O12 95(2) 4_575 . . . ? 
C2 C11 C12 O12 -13(4) . . . . ? 
O1 C11 C12 C1 -46(4) 4_575 . . . ? 
C2 C11 C12 C1 -155(5) . . . . ? 
O12 C11 C12 C1 -141(5) . . . . ? 
C1 C11 C12 O1 46(4) . . . 4_575 ? 
C2 C11 C12 O1 -108(4) . . . 4_575 ? 
O12 C11 C12 O1 -95(2) . . . 4_575 ? 
O12 C2 C12 C11 -24(7) . . . . ? 
C13 C2 C12 C11 -67(61) . . . . ? 
O2 C2 C12 C11 -36(7) . . . . ? 
C11 C2 C12 O12 24(7) . . . . ? 
C13 C2 C12 O12 -43(58) . . . . ? 
O2 C2 C12 O12 -12(2) . . . . ? 
O12 C2 C12 C1 -3(8) . . . . ? 
C11 C2 C12 C1 22(4) . . . . ? 
C13 C2 C12 C1 -45(64) . . . . ? 
O2 C2 C12 C1 -15(9) . . . . ? 
O12 C2 C12 O1 38(5) . . . 4_575 ? 
C11 C2 C12 O1 62(4) . . . 4_575 ? 
C13 C2 C12 O1 -5(63) . . . 4_575 ? 
O2 C2 C12 O1 26(6) . . . 4_575 ? 
C2 O12 C12 C11 158(6) . . . . ? 
O2 O12 C12 C11 -128(10) . . . . ? 
C13 O12 C12 C11 162(3) . . . . ? 
K1 O12 C12 C11 -56(3) . . . . ? 
O2 O12 C12 C2 74(10) . . . . ? 
C13 O12 C12 C2 3(4) . . . . ? 
C11 O12 C12 C2 -158(6) . . . . ? 
K1 O12 C12 C2 146(4) . . . . ? 
C2 O12 C12 C1 178(5) . . . . ? 
O2 O12 C12 C1 -108(10) . . . . ? 
C13 O12 C12 C1 -178(2) . . . . ? 
C11 O12 C12 C1 20(3) . . . . ? 
K1 O12 C12 C1 -36(3) . . . . ? 
C2 O12 C12 O1 -148(5) . . . 4_575 ? 
O2 O12 C12 O1 -74(10) . . . 4_575 ? 
C13 O12 C12 O1 -144.3(19) . . . 4_575 ? 
C11 O12 C12 O1 54(3) . . . 4_575 ? 
K1 O12 C12 O1 -2.0(19) . . . 4_575 ? 
O1 C1 C12 C11 107(6) 4_575 . . . ? 
O1 C1 C12 C11 113(6) . . . . ? 
C1 C1 C12 C11 131(6) 4_575 . . . ? 
C11 C1 C12 C2 -40(7) . . . . ? 
O1 C1 C12 C2 67(6) 4_575 . . . ? 
O1 C1 C12 C2 74(6) . . . . ? 
C1 C1 C12 C2 91(6) 4_575 . . . ? 
C11 C1 C12 O12 -41(5) . . . . ? 
O1 C1 C12 O12 66(3) 4_575 . . . ? 
O1 C1 C12 O12 72(3) . . . . ? 
C1 C1 C12 O12 90(3) 4_575 . . . ? 
C11 C1 C12 O1 -107(6) . . . 4_575 ? 
O1 C1 C12 O1 6.3(6) . . . 4_575 ? 
C1 C1 C12 O1 23.9(18) 4_575 . . 4_575 ? 
O12 O2 C3 C14 -154(7) . . . . ? 
C13 O2 C3 C14 -162(9) . . . . ? 
C2 O2 C3 C14 -166(7) . . . . ? 
K1 O2 C3 C14 41(8) . . . . ? 
O12 O2 C3 C13 9(4) . . . . ? 
C2 O2 C3 C13 -3(3) . . . . ? 
C14 O2 C3 C13 162(9) . . . . ? 
K1 O2 C3 C13 -157(2) . . . . ? 
O12 O2 C3 O3 154(3) . . . 3_665 ? 
C13 O2 C3 O3 145(3) . . . 3_665 ? 
C2 O2 C3 O3 141.7(18) . . . 3_665 ? 
C14 O2 C3 O3 -53(7) . . . 3_665 ? 
K1 O2 C3 O3 -12(2) . . . 3_665 ? 
O12 O2 C3 C4 -174(3) . . . . ? 
C13 O2 C3 C4 177(4) . . . . ? 
C2 O2 C3 C4 174(2) . . . . ? 
C14 O2 C3 C4 -20(7) . . . . ? 
K1 O2 C3 C4 21(3) . . . . ? 
C14 C3 C13 O2 62(25) . . . . ? 
O3 C3 C13 O2 -52(4) 3_665 . . . ? 
C4 C3 C13 O2 -9(13) . . . . ? 
C14 C3 C13 O12 57(26) . . . . ? 
O2 C3 C13 O12 -4.3(19) . . . . ? 
O3 C3 C13 O12 -57(5) 3_665 . . . ? 
C4 C3 C13 O12 -13(14) . . . . ? 
C14 C3 C13 C2 67(27) . . . . ? 
O2 C3 C13 C2 5(5) . . . . ? 
O3 C3 C13 C2 -47(8) 3_665 . . . ? 
C4 C3 C13 C2 -4(17) . . . . ? 
O2 C3 C13 C14 -62(25) . . . . ? 
O3 C3 C13 C14 -114(27) 3_665 . . . ? 
C4 C3 C13 C14 -71(25) . . . . ? 
O12 O2 C13 C3 -173(3) . . . . ? 
C2 O2 C13 C3 177(3) . . . . ? 
C14 O2 C13 C3 -6(3) . . . . ? 
K1 O2 C13 C3 67(6) . . . . ? 
C3 O2 C13 O12 173(3) . . . . ? 
C2 O2 C13 O12 -10(2) . . . . ? 
C14 O2 C13 O12 168(2) . . . . ? 
K1 O2 C13 O12 -119(5) . . . . ? 
O12 O2 C13 C2 10(2) . . . . ? 
C3 O2 C13 C2 -177(3) . . . . ? 
C14 O2 C13 C2 178(2) . . . . ? 
K1 O2 C13 C2 -109(5) . . . . ? 
O12 O2 C13 C14 -168(2) . . . . ? 
C3 O2 C13 C14 6(3) . . . . ? 
C2 O2 C13 C14 -178(2) . . . . ? 
K1 O2 C13 C14 73(5) . . . . ? 
C2 O12 C13 C3 169(4) . . . . ? 
O2 O12 C13 C3 7(3) . . . . ? 
C12 O12 C13 C3 167(3) . . . . ? 
C11 O12 C13 C3 -176(3) . . . . ? 
K1 O12 C13 C3 25(4) . . . . ? 
C2 O12 C13 O2 162(4) . . . . ? 
C12 O12 C13 O2 160(3) . . . . ? 
C11 O12 C13 O2 177(4) . . . . ? 
K1 O12 C13 O2 18.0(18) . . . . ? 
O2 O12 C13 C2 -162(4) . . . . ? 
C12 O12 C13 C2 -2(3) . . . . ? 
C11 O12 C13 C2 15(3) . . . . ? 
K1 O12 C13 C2 -144(3) . . . . ? 
C2 O12 C13 C14 175(3) . . . . ? 
O2 O12 C13 C14 13(3) . . . . ? 
C12 O12 C13 C14 173(2) . . . . ? 
C11 O12 C13 C14 -170(3) . . . . ? 
K1 O12 C13 C14 31(2) . . . . ? 
O12 C2 C13 C3 -17(7) . . . . ? 
C12 C2 C13 C3 27(63) . . . . ? 
C11 C2 C13 C3 -34(9) . . . . ? 
O2 C2 C13 C3 -6(5) . . . . ? 
O12 C2 C13 O2 -11(3) . . . . ? 
C12 C2 C13 O2 33(60) . . . . ? 
C11 C2 C13 O2 -28(5) . . . . ? 
C12 C2 C13 O12 44(59) . . . . ? 
C11 C2 C13 O12 -17(4) . . . . ? 
O2 C2 C13 O12 11(3) . . . . ? 
O12 C2 C13 C14 -8(5) . . . . ? 
C12 C2 C13 C14 36(62) . . . . ? 
C11 C2 C13 C14 -25(8) . . . . ? 
O2 C2 C13 C14 3(4) . . . . ? 
C14 C3 C4 O3 -176(18) . . . 3_665 ? 
C13 C3 C4 O3 -57(13) . . . 3_665 ? 
O2 C3 C4 O3 -65(2) . . . 3_665 ? 
C14 C3 C4 C5 169(18) . . . 3_665 ? 
C13 C3 C4 C5 -73(15) . . . 3_665 ? 
O2 C3 C4 C5 -81(6) . . . 3_665 ? 
O3 C3 C4 C5 -16(5) 3_665 . . 3_665 ? 
C13 C3 C4 C14 118(25) . . . . ? 
O2 C3 C4 C14 110(18) . . . . ? 
O3 C3 C4 C14 176(18) 3_665 . . . ? 
C14 C3 C4 O13 -171(17) . . . 3_665 ? 
C13 C3 C4 O13 -53(13) . . . 3_665 ? 
O2 C3 C4 O13 -61(3) . . . 3_665 ? 
O3 C3 C4 O13 4.4(16) 3_665 . . 3_665 ? 
C13 C3 C14 C4 -130(20) . . . . ? 
O2 C3 C14 C4 -77(18) . . . . ? 
O3 C3 C14 C4 -3(13) 3_665 . . . ? 
C13 C3 C14 O3 -127(23) . . . 3_665 ? 
O2 C3 C14 O3 -73(6) . . . 3_665 ? 
C4 C3 C14 O3 3(13) . . . 3_665 ? 
O2 C3 C14 C13 53(23) . . . . ? 
O3 C3 C14 C13 127(23) 3_665 . . . ? 
C4 C3 C14 C13 130(20) . . . . ? 
C13 C3 C14 O2 -53(23) . . . . ? 
O3 C3 C14 O2 73(6) 3_665 . . . ? 
C4 C3 C14 O2 77(18) . . . . ? 
O3 C4 C14 C3 4(17) 3_665 . . . ? 
C5 C4 C14 C3 -16(25) 3_665 . . . ? 
O13 C4 C14 C3 10(19) 3_665 . . . ? 
C5 C4 C14 O3 -20(10) 3_665 . . 3_665 ? 
O13 C4 C14 O3 5(2) 3_665 . . 3_665 ? 
C3 C4 C14 O3 -4(17) . . . 3_665 ? 
O3 C4 C14 C13 -21(9) 3_665 . . . ? 
C5 C4 C14 C13 -41(18) 3_665 . . . ? 
O13 C4 C14 C13 -16(11) 3_665 . . . ? 
C3 C4 C14 C13 -25(11) . . . . ? 
O3 C4 C14 O2 -55(3) 3_665 . . . ? 
C5 C4 C14 O2 -75(12) 3_665 . . . ? 
O13 C4 C14 O2 -49(4) 3_665 . . . ? 
C3 C4 C14 O2 -59(16) . . . . ? 
O2 C13 C14 C3 -117(26) . . . . ? 
O12 C13 C14 C3 -125(25) . . . . ? 
C2 C13 C14 C3 -120(25) . . . . ? 
C3 C13 C14 C4 73(25) . . . . ? 
O2 C13 C14 C4 -44(9) . . . . ? 
O12 C13 C14 C4 -52(10) . . . . ? 
C2 C13 C14 C4 -48(11) . . . . ? 
C3 C13 C14 O3 56(24) . . . 3_665 ? 
O2 C13 C14 O3 -61(3) . . . 3_665 ? 
O12 C13 C14 O3 -68(3) . . . 3_665 ? 
C2 C13 C14 O3 -64(5) . . . 3_665 ? 
C3 C13 C14 O2 117(26) . . . . ? 
O12 C13 C14 O2 -7.6(15) . . . . ? 
C2 C13 C14 O2 -3(3) . . . . ? 
O12 O2 C14 C3 35(10) . . . . ? 
C13 O2 C14 C3 14(7) . . . . ? 
C2 O2 C14 C3 17(9) . . . . ? 
K1 O2 C14 C3 -144(7) . . . . ? 
O12 O2 C14 C4 -176(4) . . . . ? 
C13 O2 C14 C4 162(4) . . . . ? 
C3 O2 C14 C4 148(10) . . . . ? 
C2 O2 C14 C4 165(3) . . . . ? 
K1 O2 C14 C4 4(4) . . . . ? 
O12 O2 C14 O3 147(4) . . . 3_665 ? 
C13 O2 C14 O3 126(3) . . . 3_665 ? 
C3 O2 C14 O3 111(8) . . . 3_665 ? 
C2 O2 C14 O3 128(2) . . . 3_665 ? 
K1 O2 C14 O3 -33(2) . . . 3_665 ? 
O12 O2 C14 C13 21(4) . . . . ? 
C3 O2 C14 C13 -14(7) . . . . ? 
C2 O2 C14 C13 2(3) . . . . ? 
K1 O2 C14 C13 -158.5(18) . . . . ? 
O3 O13 C5 C4 13(3) . . . 3_665 ? 
C15 O13 C5 C4 -162(3) . . . 3_665 ? 
C6 O13 C5 C4 172(3) . . . 3_665 ? 
K1 O13 C5 C4 -77(3) 3_665 . . 3_665 ? 
O3 O13 C5 C15 175(2) . . . . ? 
C4 O13 C5 C15 162(3) 3_665 . . . ? 
C6 O13 C5 C15 -26(2) . . . . ? 
K1 O13 C5 C15 85(3) 3_665 . . . ? 
C15 O13 C5 O3 -175(2) . . . . ? 
C4 O13 C5 O3 -13(3) 3_665 . . . ? 
C6 O13 C5 O3 159(2) . . . . ? 
K1 O13 C5 O3 -90(3) 3_665 . . . ? 
O3 O13 C5 C6 -159(2) . . . . ? 
C15 O13 C5 C6 26(2) . . . . ? 
C4 O13 C5 C6 -172(3) 3_665 . . . ? 
K1 O13 C5 C6 111(2) 3_665 . . . ? 
C4 O3 C5 O13 161(4) 3_665 . . . ? 
C14 O3 C5 O13 167(3) 3_665 . . . ? 
C3 O3 C5 O13 170(3) 3_665 . . . ? 
K1 O3 C5 O13 51(2) 3_665 . . . ? 
O13 O3 C5 C4 -161(4) . . . 3_665 ? 
C14 O3 C5 C4 6(3) 3_665 . . 3_665 ? 
C3 O3 C5 C4 9(3) 3_665 . . 3_665 ? 
K1 O3 C5 C4 -110(2) 3_665 . . 3_665 ? 
C4 O3 C5 C15 154(4) 3_665 . . . ? 
O13 O3 C5 C15 -6(3) . . . . ? 
C14 O3 C5 C15 160(3) 3_665 . . . ? 
C3 O3 C5 C15 164(3) 3_665 . . . ? 
K1 O3 C5 C15 45(3) 3_665 . . . ? 
C4 O3 C5 C6 180(4) 3_665 . . . ? 
O13 O3 C5 C6 19(2) . . . . ? 
C14 O3 C5 C6 -174(2) 3_665 . . . ? 
C3 O3 C5 C6 -171(2) 3_665 . . . ? 
K1 O3 C5 C6 70(2) 3_665 . . . ? 
O13 C5 C15 C6 60(5) . . . . ? 
C4 C5 C15 C6 105(9) 3_665 . . . ? 
O3 C5 C15 C6 65(5) . . . . ? 
C4 C5 C15 O13 45(8) 3_665 . . . ? 
O3 C5 C15 O13 4(2) . . . . ? 
C6 C5 C15 O13 -60(5) . . . . ? 
O13 C5 C15 O4 -18(4) . . . . ? 
C4 C5 C15 O4 27(10) 3_665 . . . ? 
O3 C5 C15 O4 -13(5) . . . . ? 
C6 C5 C15 O4 -78(5) . . . . ? 
O13 C5 C15 C16 27(7) . . . . ? 
C4 C5 C15 C16 71(11) 3_665 . . . ? 
O3 C5 C15 C16 31(8) . . . . ? 
C6 C5 C15 C16 -34(5) . . . . ? 
C5 O13 C15 C6 -124(4) . . . . ? 
O3 O13 C15 C6 -135(5) . . . . ? 
C4 O13 C15 C6 -139(4) 3_665 . . . ? 
K1 O13 C15 C6 111(3) 3_665 . . . ? 
O3 O13 C15 C5 -11(5) . . . . ? 
C4 O13 C15 C5 -15(3) 3_665 . . . ? 
C6 O13 C15 C5 124(4) . . . . ? 
K1 O13 C15 C5 -125(2) 3_665 . . . ? 
C5 O13 C15 O4 166(3) . . . . ? 
O3 O13 C15 O4 155(4) . . . . ? 
C4 O13 C15 O4 151.0(18) 3_665 . . . ? 
C6 O13 C15 O4 -70(3) . . . . ? 
K1 O13 C15 O4 40.7(17) 3_665 . . . ? 
C5 O13 C15 C16 -167(3) . . . . ? 
O3 O13 C15 C16 -178(4) . . . . ? 
C4 O13 C15 C16 178(2) 3_665 . . . ? 
C6 O13 C15 C16 -43(3) . . . . ? 
K1 O13 C15 C16 68(2) 3_665 . . . ? 
C16 O4 C15 C6 48(4) . . . . ? 
O4 O4 C15 C6 102(6) 4_565 . . . ? 
C16 O4 C15 C6 59(4) 4_565 . . . ? 
K1 O4 C15 C6 -130(4) 3_665 . . . ? 
C16 O4 C15 C5 146(4) . . . . ? 
O4 O4 C15 C5 -160(3) 4_565 . . . ? 
C6 O4 C15 C5 98(5) . . . . ? 
C16 O4 C15 C5 157(3) 4_565 . . . ? 
K1 O4 C15 C5 -32(4) 3_665 . . . ? 
C16 O4 C15 O13 133(3) . . . . ? 
O4 O4 C15 O13 -172(4) 4_565 . . . ? 
C6 O4 C15 O13 86(4) . . . . ? 
C16 O4 C15 O13 145(2) 4_565 . . . ? 
K1 O4 C15 O13 -44.7(18) 3_665 . . . ? 
O4 O4 C15 C16 54(6) 4_565 . . . ? 
C6 O4 C15 C16 -48(4) . . . . ? 
C16 O4 C15 C16 11.4(14) 4_565 . . . ? 
K1 O4 C15 C16 -178(2) 3_665 . . . ? 
C5 C15 C6 C16 -159(3) . . . . ? 
O13 C15 C6 C16 -121(3) . . . . ? 
O4 C15 C6 C16 -36(2) . . . . ? 
C5 C15 C6 O4 -124(3) . . . . ? 
O13 C15 C6 O4 -85.2(16) . . . . ? 
C16 C15 C6 O4 36(2) . . . . ? 
C5 C15 C6 O13 -38(3) . . . . ? 
O4 C15 C6 O13 85.2(16) . . . . ? 
C16 C15 C6 O13 121(3) . . . . ? 
O13 C15 C6 C5 38(3) . . . . ? 
O4 C15 C6 C5 124(3) . . . . ? 
C16 C15 C6 C5 159(3) . . . . ? 
C16 O4 C6 C15 -124(5) . . . . ? 
O4 O4 C6 C15 -150(3) 4_565 . . . ? 
C16 O4 C6 C15 -134(4) 4_565 . . . ? 
K1 O4 C6 C15 65(4) 3_665 . . . ? 
O4 O4 C6 C16 -26(4) 4_565 . . . ? 
C16 O4 C6 C16 -10.1(15) 4_565 . . . ? 
C15 O4 C6 C16 124(5) . . . . ? 
K1 O4 C6 C16 -171(3) 3_665 . . . ? 
C16 O4 C6 O13 170(3) . . . . ? 
O4 O4 C6 O13 143(2) 4_565 . . . ? 
C16 O4 C6 O13 160(2) 4_565 . . . ? 
C15 O4 C6 O13 -67(3) . . . . ? 
K1 O4 C6 O13 -2(3) 3_665 . . . ? 
C16 O4 C6 C5 -161(3) . . . . ? 
O4 O4 C6 C5 173.3(16) 4_565 . . . ? 
C16 O4 C6 C5 -171(2) 4_565 . . . ? 
C15 O4 C6 C5 -37(3) . . . . ? 
K1 O4 C6 C5 28(3) 3_665 . . . ? 
C5 O13 C6 C15 46(4) . . . . ? 
O3 O13 C6 C15 113(7) . . . . ? 
C4 O13 C6 C15 54(4) 3_665 . . . ? 
K1 O13 C6 C15 -80(4) 3_665 . . . ? 
C5 O13 C6 C16 136(4) . . . . ? 
O3 O13 C6 C16 -157(5) . . . . ? 
C15 O13 C6 C16 90(5) . . . . ? 
C4 O13 C6 C16 143(3) 3_665 . . . ? 
K1 O13 C6 C16 10(4) 3_665 . . . ? 
C5 O13 C6 O4 127(3) . . . . ? 
O3 O13 C6 O4 -165(6) . . . . ? 
C15 O13 C6 O4 81(4) . . . . ? 
C4 O13 C6 O4 135(2) 3_665 . . . ? 
K1 O13 C6 O4 1(2) 3_665 . . . ? 
O3 O13 C6 C5 67(6) . . . . ? 
C15 O13 C6 C5 -46(4) . . . . ? 
C4 O13 C6 C5 8(3) 3_665 . . . ? 
K1 O13 C6 C5 -126(2) 3_665 . . . ? 
O13 C5 C6 C15 -111(5) . . . . ? 
C4 C5 C6 C15 -125(7) 3_665 . . . ? 
O3 C5 C6 C15 -126(5) . . . . ? 
O13 C5 C6 C16 -76(5) . . . . ? 
C4 C5 C6 C16 -91(8) 3_665 . . . ? 
C15 C5 C6 C16 35(5) . . . . ? 
O3 C5 C6 C16 -91(5) . . . . ? 
O13 C5 C6 O4 -54(3) . . . . ? 
C4 C5 C6 O4 -68(6) 3_665 . . . ? 
C15 C5 C6 O4 57(4) . . . . ? 
O3 C5 C6 O4 -68(3) . . . . ? 
C4 C5 C6 O13 -14(5) 3_665 . . . ? 
C15 C5 C6 O13 111(5) . . . . ? 
O3 C5 C6 O13 -14.5(16) . . . . ? 
O4 O4 C16 C16 0.001(5) 4_565 . . 4_565 ? 
C6 O4 C16 C16 -166.5(19) . . . 4_565 ? 
C15 O4 C16 C16 167.2(13) . . . 4_565 ? 
K1 O4 C16 C16 -22(10) 3_665 . . 4_565 ? 
O4 O4 C16 C6 166.5(19) 4_565 . . . ? 
C16 O4 C16 C6 166.5(19) 4_565 . . . ? 
C15 O4 C16 C6 -26(2) . . . . ? 
K1 O4 C16 C6 145(10) 3_665 . . . ? 
C6 O4 C16 O4 -166.5(19) . . . 4_565 ? 
C16 O4 C16 O4 -0.001(7) 4_565 . . 4_565 ? 
C15 O4 C16 O4 167.2(13) . . . 4_565 ? 
K1 O4 C16 O4 -22(10) 3_665 . . 4_565 ? 
O4 O4 C16 C15 -167.2(13) 4_565 . . . ? 
C6 O4 C16 C15 26(2) . . . . ? 
C16 O4 C16 C15 -167.2(13) 4_565 . . . ? 
K1 O4 C16 C15 171(11) 3_665 . . . ? 
C15 C6 C16 O4 57(4) . . . . ? 
O13 C6 C16 O4 -12(4) . . . . ? 
C5 C6 C16 O4 33(5) . . . . ? 
C15 C6 C16 C16 102(7) . . . 4_565 ? 
O4 C6 C16 C16 45(6) . . . 4_565 ? 
O13 C6 C16 C16 33(9) . . . 4_565 ? 
C5 C6 C16 C16 78(9) . . . 4_565 ? 
C15 C6 C16 O4 69(5) . . . 4_565 ? 
O4 C6 C16 O4 11.7(17) . . . 4_565 ? 
O13 C6 C16 O4 -1(5) . . . 4_565 ? 
C5 C6 C16 O4 44(7) . . . 4_565 ? 
O4 C6 C16 C15 -57(4) . . . . ? 
O13 C6 C16 C15 -69(4) . . . . ? 
C5 C6 C16 C15 -24(4) . . . . ? 
C6 C15 C16 O4 -113(5) . . . . ? 
C5 C15 C16 O4 -69(7) . . . . ? 
O13 C15 C16 O4 -49(3) . . . . ? 
C6 C15 C16 C16 -140(5) . . . 4_565 ? 
C5 C15 C16 C16 -95(7) . . . 4_565 ? 
O13 C15 C16 C16 -76(3) . . . 4_565 ? 
O4 C15 C16 C16 -26(3) . . . 4_565 ? 
C5 C15 C16 C6 44(6) . . . . ? 
O13 C15 C16 C6 64(4) . . . . ? 
O4 C15 C16 C6 113(5) . . . . ? 
C6 C15 C16 O4 -123(5) . . . 4_565 ? 
C5 C15 C16 O4 -79(7) . . . 4_565 ? 
O13 C15 C16 O4 -59(3) . . . 4_565 ? 
O4 C15 C16 O4 -9.9(11) . . . 4_565 ? 
Pb3 Pb3 K2 O24 0(70) 4_575 . . . ? 
Pb5 Pb3 K2 O24 -37.203(17) 4_575 . . . ? 
Pb5 Pb3 K2 O24 37.203(17) . . . . ? 
Pb1 Pb3 K2 O24 57.35(3) . . . . ? 
Pb1 Pb3 K2 O24 -57.35(3) 4_575 . . . ? 
K3 Pb3 K2 O24 180.000(1) . . . . ? 
Pb3 Pb3 K2 O22 0.00(5) 4_575 . . . ? 
Pb5 Pb3 K2 O22 -159.9(2) 4_575 . . . ? 
Pb5 Pb3 K2 O22 -85.5(2) . . . . ? 
Pb1 Pb3 K2 O22 -65.4(2) . . . . ? 
Pb1 Pb3 K2 O22 179.9(2) 4_575 . . . ? 
K3 Pb3 K2 O22 57.3(2) . . . . ? 
Pb3 Pb3 K2 O22 0.00(5) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 O22 85.5(2) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 O22 159.9(2) . . . 4_575 ? 
Pb1 Pb3 K2 O22 -179.9(2) . . . 4_575 ? 
Pb1 Pb3 K2 O22 65.4(2) 4_575 . . 4_575 ? 
K3 Pb3 K2 O22 -57.3(2) . . . 4_575 ? 
Pb3 Pb3 K2 O21 0.00(5) 4_575 . . . ? 
Pb5 Pb3 K2 O21 142.797(17) 4_575 . . . ? 
Pb5 Pb3 K2 O21 -142.797(17) . . . . ? 
Pb1 Pb3 K2 O21 -122.65(3) . . . . ? 
Pb1 Pb3 K2 O21 122.65(3) 4_575 . . . ? 
K3 Pb3 K2 O21 0.000(2) . . . . ? 
Pb3 Pb3 K2 O23 0.00(5) 4_575 . . . ? 
Pb5 Pb3 K2 O23 -107.2(3) 4_575 . . . ? 
Pb5 Pb3 K2 O23 -32.8(3) . . . . ? 
Pb1 Pb3 K2 O23 -12.6(3) . . . . ? 
Pb1 Pb3 K2 O23 -127.3(3) 4_575 . . . ? 
K3 Pb3 K2 O23 110.0(3) . . . . ? 
Pb3 Pb3 K2 O23 0.00(6) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 O23 32.8(3) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 O23 107.2(3) . . . 4_575 ? 
Pb1 Pb3 K2 O23 127.3(3) . . . 4_575 ? 
Pb1 Pb3 K2 O23 12.6(3) 4_575 . . 4_575 ? 
K3 Pb3 K2 O23 -110.0(3) . . . 4_575 ? 
Pb5 Pb3 K2 Pb3 0(19) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 Pb3 0(97) . . . 4_575 ? 
Pb1 Pb3 K2 Pb3 0(100) . . . 4_575 ? 
Pb1 Pb3 K2 Pb3 0(3) 4_575 . . 4_575 ? 
K3 Pb3 K2 Pb3 0(100) . . . 4_575 ? 
Pb3 Pb3 K2 Pb5 0.00(6) 4_575 . . . ? 
Pb5 Pb3 K2 Pb5 -74.41(3) 4_575 . . . ? 
Pb1 Pb3 K2 Pb5 20.15(4) . . . . ? 
Pb1 Pb3 K2 Pb5 -94.56(3) 4_575 . . . ? 
K3 Pb3 K2 Pb5 142.797(17) . . . . ? 
Pb3 Pb3 K2 Pb5 0.00(5) 4_575 . . 4_575 ? 
Pb5 Pb3 K2 Pb5 74.41(3) . . . 4_575 ? 
Pb1 Pb3 K2 Pb5 94.56(3) . . . 4_575 ? 
Pb1 Pb3 K2 Pb5 -20.15(4) 4_575 . . 4_575 ? 
K3 Pb3 K2 Pb5 -142.797(17) . . . 4_575 ? 
Pb6 Pb5 K2 O24 -48.99(11) . . . . ? 
Pb1 Pb5 K2 O24 -172.61(11) . . . . ? 
Pb3 Pb5 K2 O24 -151.86(12) 4_575 . . . ? 
Pb3 Pb5 K2 O24 -151.86(12) . . . . ? 
Pb4 Pb5 K2 O24 -88.69(15) . . . . ? 
Pb5 Pb5 K2 O24 -89.51(12) 4_575 . . . ? 
Pb6 Pb5 K2 O22 -161.6(2) . . . . ? 
Pb1 Pb5 K2 O22 74.8(2) . . . . ? 
Pb3 Pb5 K2 O22 95.5(2) 4_575 . . . ? 
Pb3 Pb5 K2 O22 95.5(2) . . . . ? 
Pb4 Pb5 K2 O22 158.7(2) . . . . ? 
Pb5 Pb5 K2 O22 157.9(2) 4_575 . . . ? 
Pb6 Pb5 K2 O22 73.3(4) . . . 4_575 ? 
Pb1 Pb5 K2 O22 -50.3(4) . . . 4_575 ? 
Pb3 Pb5 K2 O22 -29.5(4) 4_575 . . 4_575 ? 
Pb3 Pb5 K2 O22 -29.5(4) . . . 4_575 ? 
Pb4 Pb5 K2 O22 33.6(4) . . . 4_575 ? 
Pb5 Pb5 K2 O22 32.8(4) 4_575 . . 4_575 ? 
Pb6 Pb5 K2 O21 150.17(16) . . . . ? 
Pb1 Pb5 K2 O21 26.55(17) . . . . ? 
Pb3 Pb5 K2 O21 47.31(17) 4_575 . . . ? 
Pb3 Pb5 K2 O21 47.31(17) . . . . ? 
Pb4 Pb5 K2 O21 110.47(18) . . . . ? 
Pb5 Pb5 K2 O21 109.65(17) 4_575 . . . ? 
Pb6 Pb5 K2 O23 -104.8(2) . . . . ? 
Pb1 Pb5 K2 O23 131.6(2) . . . . ? 
Pb3 Pb5 K2 O23 152.3(2) 4_575 . . . ? 
Pb3 Pb5 K2 O23 152.3(2) . . . . ? 
Pb4 Pb5 K2 O23 -144.5(2) . . . . ? 
Pb5 Pb5 K2 O23 -145.3(2) 4_575 . . . ? 
Pb6 Pb5 K2 O23 -1.7(3) . . . 4_575 ? 
Pb1 Pb5 K2 O23 -125.3(3) . . . 4_575 ? 
Pb3 Pb5 K2 O23 -104.5(3) 4_575 . . 4_575 ? 
Pb3 Pb5 K2 O23 -104.5(3) . . . 4_575 ? 
Pb4 Pb5 K2 O23 -41.4(3) . . . 4_575 ? 
Pb5 Pb5 K2 O23 -42.2(2) 4_575 . . 4_575 ? 
Pb6 Pb5 K2 Pb3 102.87(3) . . . . ? 
Pb1 Pb5 K2 Pb3 -20.75(3) . . . . ? 
Pb3 Pb5 K2 Pb3 0.0 4_575 . . . ? 
Pb4 Pb5 K2 Pb3 63.17(11) . . . . ? 
Pb5 Pb5 K2 Pb3 62.34(2) 4_575 . . . ? 
Pb6 Pb5 K2 Pb3 102.87(3) . . . 4_575 ? 
Pb1 Pb5 K2 Pb3 -20.75(3) . . . 4_575 ? 
Pb3 Pb5 K2 Pb3 0.0 . . . 4_575 ? 
Pb4 Pb5 K2 Pb3 63.17(11) . . . 4_575 ? 
Pb5 Pb5 K2 Pb3 62.34(2) 4_575 . . 4_575 ? 
Pb6 Pb5 K2 Pb5 40.52(4) . . . 4_575 ? 
Pb1 Pb5 K2 Pb5 -83.10(4) . . . 4_575 ? 
Pb3 Pb5 K2 Pb5 -62.34(2) 4_575 . . 4_575 ? 
Pb3 Pb5 K2 Pb5 -62.34(2) . . . 4_575 ? 
Pb4 Pb5 K2 Pb5 0.82(13) . . . 4_575 ? 
O24 K2 O21 C21 -121.2(10) . . . . ? 
O22 K2 O21 C21 -35.7(9) . . . . ? 
O22 K2 O21 C21 153.2(11) 4_575 . . . ? 
O23 K2 O21 C21 -64.7(10) . . . . ? 
O23 K2 O21 C21 -177.8(9) 4_575 . . . ? 
Pb3 K2 O21 C21 58.8(10) . . . . ? 
Pb3 K2 O21 C21 58.8(10) 4_575 . . . ? 
Pb5 K2 O21 C21 26.7(10) . . . . ? 
Pb5 K2 O21 C21 90.9(9) 4_575 . . . ? 
O24 K2 O21 C21 121.2(10) . . . 4_575 ? 
O22 K2 O21 C21 -153.2(11) . . . 4_575 ? 
O22 K2 O21 C21 35.7(9) 4_575 . . 4_575 ? 
O23 K2 O21 C21 177.8(9) . . . 4_575 ? 
O23 K2 O21 C21 64.7(10) 4_575 . . 4_575 ? 
Pb3 K2 O21 C21 -58.8(10) . . . 4_575 ? 
Pb3 K2 O21 C21 -58.8(10) 4_575 . . 4_575 ? 
Pb5 K2 O21 C21 -90.9(9) . . . 4_575 ? 
Pb5 K2 O21 C21 -26.7(10) 4_575 . . 4_575 ? 
O24 K2 O22 C22 141.1(9) . . . . ? 
O22 K2 O22 C22 11.1(11) 4_575 . . . ? 
O21 K2 O22 C22 2.9(9) . . . . ? 
O23 K2 O22 C22 149.4(10) . . . . ? 
O23 K2 O22 C22 77.9(11) 4_575 . . . ? 
Pb3 K2 O22 C22 -84.2(9) . . . . ? 
Pb3 K2 O22 C22 -84.2(9) 4_575 . . . ? 
Pb5 K2 O22 C22 -130.3(9) . . . . ? 
Pb5 K2 O22 C22 -105.1(9) 4_575 . . . ? 
O24 K2 O22 C23 -9.8(9) . . . 3_666 ? 
O22 K2 O22 C23 -139.8(8) 4_575 . . 3_666 ? 
O21 K2 O22 C23 -148.0(9) . . . 3_666 ? 
O23 K2 O22 C23 -1.5(8) . . . 3_666 ? 
O23 K2 O22 C23 -73.0(10) 4_575 . . 3_666 ? 
Pb3 K2 O22 C23 125.0(8) . . . 3_666 ? 
Pb3 K2 O22 C23 125.0(8) 4_575 . . 3_666 ? 
Pb5 K2 O22 C23 78.8(8) . . . 3_666 ? 
Pb5 K2 O22 C23 104.0(8) 4_575 . . 3_666 ? 
O24 K2 O23 C24 -153.9(10) . . . . ? 
O22 K2 O23 C24 35.4(9) . . . . ? 
O22 K2 O23 C24 122.9(10) 4_575 . . . ? 
O21 K2 O23 C24 64.5(9) . . . . ? 
O23 K2 O23 C24 178.6(8) 4_575 . . . ? 
Pb3 K2 O23 C24 -35.9(10) . . . . ? 
Pb3 K2 O23 C24 -35.9(10) 4_575 . . . ? 
Pb5 K2 O23 C24 -59.2(9) . . . . ? 
Pb5 K2 O23 C24 -91.5(9) 4_575 . . . ? 
O24 K2 O23 C25 -37.6(9) . . . . ? 
O22 K2 O23 C25 151.7(9) . . . . ? 
O22 K2 O23 C25 -120.8(9) 4_575 . . . ? 
O21 K2 O23 C25 -179.2(9) . . . . ? 
O23 K2 O23 C25 -65.1(9) 4_575 . . . ? 
Pb3 K2 O23 C25 80.4(9) . . . . ? 
Pb3 K2 O23 C25 80.4(9) 4_575 . . . ? 
Pb5 K2 O23 C25 57.1(9) . . . . ? 
Pb5 K2 O23 C25 24.8(9) 4_575 . . . ? 
O22 K2 O24 C26 -146.7(10) . . . 4_575 ? 
O22 K2 O24 C26 -15.9(12) 4_575 . . 4_575 ? 
O21 K2 O24 C26 -81.3(11) . . . 4_575 ? 
O23 K2 O24 C26 -155.1(12) . . . 4_575 ? 
O23 K2 O24 C26 -7.5(10) 4_575 . . 4_575 ? 
Pb3 K2 O24 C26 98.7(11) . . . 4_575 ? 
Pb3 K2 O24 C26 98.7(11) 4_575 . . 4_575 ? 
Pb5 K2 O24 C26 124.6(11) . . . 4_575 ? 
Pb5 K2 O24 C26 72.7(11) 4_575 . . 4_575 ? 
O22 K2 O24 C26 15.9(12) . . . . ? 
O22 K2 O24 C26 146.7(10) 4_575 . . . ? 
O21 K2 O24 C26 81.3(11) . . . . ? 
O23 K2 O24 C26 7.5(10) . . . . ? 
O23 K2 O24 C26 155.1(12) 4_575 . . . ? 
Pb3 K2 O24 C26 -98.7(11) . . . . ? 
Pb3 K2 O24 C26 -98.7(11) 4_575 . . . ? 
Pb5 K2 O24 C26 -72.7(11) . . . . ? 
Pb5 K2 O24 C26 -124.6(11) 4_575 . . . ? 
C21 O21 C21 C22 -178.5(8) 4_575 . . . ? 
K2 O21 C21 C22 68.1(13) . . . . ? 
C23 O22 C22 C21 -178.9(12) 3_666 . . . ? 
K2 O22 C22 C21 28.5(15) . . . . ? 
O21 C21 C22 O22 -67.4(16) . . . . ? 
C25 O23 C24 C23 179.3(11) . . . 3_666 ? 
K2 O23 C24 C23 -69.3(11) . . . 3_666 ? 
C24 O23 C25 C26 178.5(11) . . . . ? 
K2 O23 C25 C26 67.7(12) . . . . ? 
C26 O24 C26 C25 -173.7(9) 4_575 . . . ? 
K2 O24 C26 C25 21.9(17) . . . . ? 
O23 C25 C26 O24 -62.8(16) . . . . ? 
Pb2 Pb2 K3 O31 0.00(2) 4_575 . . . ? 
Pb4 Pb2 K3 O31 138.63(3) 4_575 . . . ? 
Pb4 Pb2 K3 O31 -138.63(3) . . . . ? 
Pb1 Pb2 K3 O31 129.78(2) 4_575 . . . ? 
Pb1 Pb2 K3 O31 -129.78(2) . . . . ? 
K1 Pb2 K3 O31 0.0 . . . . ? 
Pb2 Pb2 K3 O33 0.00(3) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 O33 36.3(2) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 O33 119.0(2) . . . 4_575 ? 
Pb1 Pb2 K3 O33 27.4(2) 4_575 . . 4_575 ? 
Pb1 Pb2 K3 O33 127.8(2) . . . 4_575 ? 
K1 Pb2 K3 O33 -102.4(2) . . . 4_575 ? 
Pb2 Pb2 K3 O33 0.00(2) 4_575 . . . ? 
Pb4 Pb2 K3 O33 -119.0(2) 4_575 . . . ? 
Pb4 Pb2 K3 O33 -36.3(2) . . . . ? 
Pb1 Pb2 K3 O33 -127.8(2) 4_575 . . . ? 
Pb1 Pb2 K3 O33 -27.4(2) . . . . ? 
K1 Pb2 K3 O33 102.4(2) . . . . ? 
Pb2 Pb2 K3 O34 0(81) 4_575 . . . ? 
Pb4 Pb2 K3 O34 -41.37(3) 4_575 . . . ? 
Pb4 Pb2 K3 O34 41.37(3) . . . . ? 
Pb1 Pb2 K3 O34 -50.22(2) 4_575 . . . ? 
Pb1 Pb2 K3 O34 50.22(2) . . . . ? 
K1 Pb2 K3 O34 180.000(2) . . . . ? 
Pb2 Pb2 K3 O32 0.00(2) 4_575 . . 1_455 ? 
Pb4 Pb2 K3 O32 -168.43(18) 4_575 . . 1_455 ? 
Pb4 Pb2 K3 O32 -85.70(19) . . . 1_455 ? 
Pb1 Pb2 K3 O32 -177.28(19) 4_575 . . 1_455 ? 
Pb1 Pb2 K3 O32 -76.85(18) . . . 1_455 ? 
K1 Pb2 K3 O32 52.93(18) . . . 1_455 ? 
Pb2 Pb2 K3 O32 0.00(3) 4_575 . . 4_475 ? 
Pb4 Pb2 K3 O32 85.70(19) 4_575 . . 4_475 ? 
Pb4 Pb2 K3 O32 168.43(18) . . . 4_475 ? 
Pb1 Pb2 K3 O32 76.85(18) 4_575 . . 4_475 ? 
Pb1 Pb2 K3 O32 177.28(19) . . . 4_475 ? 
K1 Pb2 K3 O32 -52.93(18) . . . 4_475 ? 
Pb4 Pb2 K3 Pb2 0(24) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 Pb2 0(65) . . . 4_575 ? 
Pb1 Pb2 K3 Pb2 0(33) 4_575 . . 4_575 ? 
Pb1 Pb2 K3 Pb2 0(74) . . . 4_575 ? 
K1 Pb2 K3 Pb2 0(100) . . . 4_575 ? 
Pb2 Pb2 K3 Pb1 0.00(2) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 Pb1 8.85(4) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 Pb1 91.58(3) . . . 4_575 ? 
Pb1 Pb2 K3 Pb1 100.43(4) . . . 4_575 ? 
K1 Pb2 K3 Pb1 -129.78(2) . . . 4_575 ? 
Pb2 Pb2 K3 Pb1 0.00(3) 4_575 . . . ? 
Pb4 Pb2 K3 Pb1 -91.58(3) 4_575 . . . ? 
Pb4 Pb2 K3 Pb1 -8.85(4) . . . . ? 
Pb1 Pb2 K3 Pb1 -100.43(4) 4_575 . . . ? 
K1 Pb2 K3 Pb1 129.78(2) . . . . ? 
Pb2 Pb2 K3 Pb3 0(81) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 Pb3 -41.37(3) 4_575 . . 4_575 ? 
Pb4 Pb2 K3 Pb3 41.37(3) . . . 4_575 ? 
Pb1 Pb2 K3 Pb3 -50.22(2) 4_575 . . 4_575 ? 
Pb1 Pb2 K3 Pb3 50.22(2) . . . 4_575 ? 
K1 Pb2 K3 Pb3 180.0 . . . 4_575 ? 
Pb2 Pb2 K3 Pb3 0(81) 4_575 . . . ? 
Pb4 Pb2 K3 Pb3 -41.37(3) 4_575 . . . ? 
Pb4 Pb2 K3 Pb3 41.37(3) . . . . ? 
Pb1 Pb2 K3 Pb3 -50.22(2) 4_575 . . . ? 
Pb1 Pb2 K3 Pb3 50.22(2) . . . . ? 
K1 Pb2 K3 Pb3 180.0 . . . . ? 
Pb5 Pb1 K3 O31 145.07(17) . . . . ? 
Pb4 Pb1 K3 O31 60.88(18) . . . . ? 
Pb3 Pb1 K3 O31 153.25(18) 4_575 . . . ? 
Pb3 Pb1 K3 O31 153.25(18) . . . . ? 
Pb2 Pb1 K3 O31 52.15(18) . . . . ? 
Pb2 Pb1 K3 O31 52.15(18) 4_575 . . . ? 
Pb5 Pb1 K3 O33 -0.1(3) . . . 4_575 ? 
Pb4 Pb1 K3 O33 -84.3(3) . . . 4_575 ? 
Pb3 Pb1 K3 O33 8.0(3) 4_575 . . 4_575 ? 
Pb3 Pb1 K3 O33 8.0(3) . . . 4_575 ? 
Pb2 Pb1 K3 O33 -93.1(3) . . . 4_575 ? 
Pb2 Pb1 K3 O33 -93.1(3) 4_575 . . 4_575 ? 
Pb5 Pb1 K3 O33 -110.54(18) . . . . ? 
Pb4 Pb1 K3 O33 165.26(18) . . . . ? 
Pb3 Pb1 K3 O33 -102.36(19) 4_575 . . . ? 
Pb3 Pb1 K3 O33 -102.36(19) . . . . ? 
Pb2 Pb1 K3 O33 156.53(19) . . . . ? 
Pb2 Pb1 K3 O33 156.53(19) 4_575 . . . ? 
Pb5 Pb1 K3 O34 -64.75(16) . . . . ? 
Pb4 Pb1 K3 O34 -148.94(15) . . . . ? 
Pb3 Pb1 K3 O34 -56.57(16) 4_575 . . . ? 
Pb3 Pb1 K3 O34 -56.57(16) . . . . ? 
Pb2 Pb1 K3 O34 -157.67(16) . . . . ? 
Pb2 Pb1 K3 O34 -157.67(16) 4_575 . . . ? 
Pb5 Pb1 K3 O32 -164.80(18) . . . 1_455 ? 
Pb4 Pb1 K3 O32 111.00(19) . . . 1_455 ? 
Pb3 Pb1 K3 O32 -156.62(19) 4_575 . . 1_455 ? 
Pb3 Pb1 K3 O32 -156.62(19) . . . 1_455 ? 
Pb2 Pb1 K3 O32 102.27(19) . . . 1_455 ? 
Pb2 Pb1 K3 O32 102.27(19) 4_575 . . 1_455 ? 
Pb5 Pb1 K3 O32 88.6(3) . . . 4_475 ? 
Pb4 Pb1 K3 O32 4.4(3) . . . 4_475 ? 
Pb3 Pb1 K3 O32 96.7(3) 4_575 . . 4_475 ? 
Pb3 Pb1 K3 O32 96.7(3) . . . 4_475 ? 
Pb2 Pb1 K3 O32 -4.4(3) . . . 4_475 ? 
Pb2 Pb1 K3 O32 -4.4(3) 4_575 . . 4_475 ? 
Pb5 Pb1 K3 Pb2 92.92(5) . . . . ? 
Pb4 Pb1 K3 Pb2 8.73(5) . . . . ? 
Pb3 Pb1 K3 Pb2 101.10(3) 4_575 . . . ? 
Pb3 Pb1 K3 Pb2 101.10(3) . . . . ? 
Pb2 Pb1 K3 Pb2 0.0 4_575 . . . ? 
Pb5 Pb1 K3 Pb2 92.92(5) . . . 4_575 ? 
Pb4 Pb1 K3 Pb2 8.73(5) . . . 4_575 ? 
Pb3 Pb1 K3 Pb2 101.10(3) 4_575 . . 4_575 ? 
Pb3 Pb1 K3 Pb2 101.10(3) . . . 4_575 ? 
Pb2 Pb1 K3 Pb2 0.0 . . . 4_575 ? 
Pb5 Pb1 K3 Pb1 42.08(6) . . . 4_575 ? 
Pb4 Pb1 K3 Pb1 -42.11(6) . . . 4_575 ? 
Pb3 Pb1 K3 Pb1 50.26(3) 4_575 . . 4_575 ? 
Pb3 Pb1 K3 Pb1 50.26(3) . . . 4_575 ? 
Pb2 Pb1 K3 Pb1 -50.84(3) . . . 4_575 ? 
Pb2 Pb1 K3 Pb1 -50.84(3) 4_575 . . 4_575 ? 
Pb5 Pb1 K3 Pb3 -8.18(5) . . . 4_575 ? 
Pb4 Pb1 K3 Pb3 -92.37(5) . . . 4_575 ? 
Pb3 Pb1 K3 Pb3 0.0 . . . 4_575 ? 
Pb2 Pb1 K3 Pb3 -101.10(3) . . . 4_575 ? 
Pb2 Pb1 K3 Pb3 -101.10(3) 4_575 . . 4_575 ? 
Pb5 Pb1 K3 Pb3 -8.18(5) . . . . ? 
Pb4 Pb1 K3 Pb3 -92.37(5) . . . . ? 
Pb3 Pb1 K3 Pb3 0.0 4_575 . . . ? 
Pb2 Pb1 K3 Pb3 -101.10(3) . . . . ? 
Pb2 Pb1 K3 Pb3 -101.10(3) 4_575 . . . ? 
Pb3 Pb3 K3 O31 0.00(12) 4_575 . . . ? 
Pb5 Pb3 K3 O31 42.72(3) 4_575 . . . ? 
Pb5 Pb3 K3 O31 -42.72(3) . . . . ? 
Pb1 Pb3 K3 O31 -50.61(2) . . . . ? 
Pb1 Pb3 K3 O31 50.61(2) 4_575 . . . ? 
K2 Pb3 K3 O31 180.0 . . . . ? 
Pb3 Pb3 K3 O33 0.00(12) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 O33 -81.3(2) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 O33 -166.72(18) . . . 4_575 ? 
Pb1 Pb3 K3 O33 -174.61(19) . . . 4_575 ? 
Pb1 Pb3 K3 O33 -73.39(19) 4_575 . . 4_575 ? 
K2 Pb3 K3 O33 56.00(19) . . . 4_575 ? 
Pb3 Pb3 K3 O33 0.00(12) 4_575 . . . ? 
Pb5 Pb3 K3 O33 166.72(18) 4_575 . . . ? 
Pb5 Pb3 K3 O33 81.3(2) . . . . ? 
Pb1 Pb3 K3 O33 73.39(19) . . . . ? 
Pb1 Pb3 K3 O33 174.61(19) 4_575 . . . ? 
K2 Pb3 K3 O33 -56.00(19) . . . . ? 
Pb3 Pb3 K3 O34 0(70) 4_575 . . . ? 
Pb5 Pb3 K3 O34 -137.28(3) 4_575 . . . ? 
Pb5 Pb3 K3 O34 137.28(3) . . . . ? 
Pb1 Pb3 K3 O34 129.39(2) . . . . ? 
Pb1 Pb3 K3 O34 -129.39(2) 4_575 . . . ? 
K2 Pb3 K3 O34 0.000(1) . . . . ? 
Pb3 Pb3 K3 O32 0.00(12) 4_575 . . 1_455 ? 
Pb5 Pb3 K3 O32 122.5(2) 4_575 . . 1_455 ? 
Pb5 Pb3 K3 O32 37.1(3) . . . 1_455 ? 
Pb1 Pb3 K3 O32 29.2(2) . . . 1_455 ? 
Pb1 Pb3 K3 O32 130.4(2) 4_575 . . 1_455 ? 
K2 Pb3 K3 O32 -100.2(2) . . . 1_455 ? 
Pb3 Pb3 K3 O32 0.00(12) 4_575 . . 4_475 ? 
Pb5 Pb3 K3 O32 -37.1(3) 4_575 . . 4_475 ? 
Pb5 Pb3 K3 O32 -122.5(2) . . . 4_475 ? 
Pb1 Pb3 K3 O32 -130.4(2) . . . 4_475 ? 
Pb1 Pb3 K3 O32 -29.2(2) 4_575 . . 4_475 ? 
K2 Pb3 K3 O32 100.2(2) . . . 4_475 ? 
Pb3 Pb3 K3 Pb2 0.00(12) 4_575 . . . ? 
Pb5 Pb3 K3 Pb2 42.72(3) 4_575 . . . ? 
Pb5 Pb3 K3 Pb2 -42.72(3) . . . . ? 
Pb1 Pb3 K3 Pb2 -50.61(2) . . . . ? 
Pb1 Pb3 K3 Pb2 50.61(2) 4_575 . . . ? 
K2 Pb3 K3 Pb2 180.0 . . . . ? 
Pb3 Pb3 K3 Pb2 0.00(12) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 Pb2 42.72(3) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 Pb2 -42.72(3) . . . 4_575 ? 
Pb1 Pb3 K3 Pb2 -50.61(2) . . . 4_575 ? 
Pb1 Pb3 K3 Pb2 50.61(2) 4_575 . . 4_575 ? 
K2 Pb3 K3 Pb2 180.0 . . . 4_575 ? 
Pb3 Pb3 K3 Pb1 0.00(12) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 Pb1 -7.89(4) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 Pb1 -93.33(3) . . . 4_575 ? 
Pb1 Pb3 K3 Pb1 -101.23(4) . . . 4_575 ? 
K2 Pb3 K3 Pb1 129.39(2) . . . 4_575 ? 
Pb3 Pb3 K3 Pb1 0.00(12) 4_575 . . . ? 
Pb5 Pb3 K3 Pb1 93.33(3) 4_575 . . . ? 
Pb5 Pb3 K3 Pb1 7.89(4) . . . . ? 
Pb1 Pb3 K3 Pb1 101.23(4) 4_575 . . . ? 
K2 Pb3 K3 Pb1 -129.39(2) . . . . ? 
Pb5 Pb3 K3 Pb3 0(49) 4_575 . . 4_575 ? 
Pb5 Pb3 K3 Pb3 0(100) . . . 4_575 ? 
Pb1 Pb3 K3 Pb3 0(100) . . . 4_575 ? 
Pb1 Pb3 K3 Pb3 0(38) 4_575 . . 4_575 ? 
K2 Pb3 K3 Pb3 0(100) . . . 4_575 ? 
O33 K3 O31 C31 -146.4(12) 4_575 . . 1_455 ? 
O33 K3 O31 C31 -26.2(13) . . . 1_455 ? 
O34 K3 O31 C31 -86.3(12) . . . 1_455 ? 
O32 K3 O31 C31 -10.9(11) 1_455 . . 1_455 ? 
O32 K3 O31 C31 -161.7(14) 4_475 . . 1_455 ? 
Pb2 K3 O31 C31 93.7(12) . . . 1_455 ? 
Pb2 K3 O31 C31 93.7(12) 4_575 . . 1_455 ? 
Pb1 K3 O31 C31 130.2(12) 4_575 . . 1_455 ? 
Pb1 K3 O31 C31 57.2(13) . . . 1_455 ? 
Pb3 K3 O31 C31 93.7(12) 4_575 . . 1_455 ? 
Pb3 K3 O31 C31 93.7(12) . . . 1_455 ? 
O33 K3 O31 C31 26.2(13) 4_575 . . 4_475 ? 
O33 K3 O31 C31 146.4(12) . . . 4_475 ? 
O34 K3 O31 C31 86.3(12) . . . 4_475 ? 
O32 K3 O31 C31 161.7(14) 1_455 . . 4_475 ? 
O32 K3 O31 C31 10.9(11) 4_475 . . 4_475 ? 
Pb2 K3 O31 C31 -93.7(12) . . . 4_475 ? 
Pb2 K3 O31 C31 -93.7(12) 4_575 . . 4_475 ? 
Pb1 K3 O31 C31 -57.2(13) 4_575 . . 4_475 ? 
Pb1 K3 O31 C31 -130.2(12) . . . 4_475 ? 
Pb3 K3 O31 C31 -93.7(12) 4_575 . . 4_475 ? 
Pb3 K3 O31 C31 -93.7(12) . . . 4_475 ? 
O31 K3 O33 C35 -132.6(8) . . . . ? 
O33 K3 O33 C35 -15.6(10) 4_575 . . . ? 
O34 K3 O33 C35 -5.9(8) . . . . ? 
O32 K3 O33 C35 -148.2(9) 1_455 . . . ? 
O32 K3 O33 C35 -75.5(9) 4_475 . . . ? 
Pb2 K3 O33 C35 141.8(8) . . . . ? 
Pb2 K3 O33 C35 141.8(8) 4_575 . . . ? 
Pb1 K3 O33 C35 82.0(9) 4_575 . . . ? 
Pb1 K3 O33 C35 121.7(8) . . . . ? 
Pb3 K3 O33 C35 76.1(8) 4_575 . . . ? 
Pb3 K3 O33 C35 76.1(8) . . . . ? 
O31 K3 O33 C34 32.7(10) . . . . ? 
O33 K3 O33 C34 149.7(9) 4_575 . . . ? 
O34 K3 O33 C34 159.4(11) . . . . ? 
O32 K3 O33 C34 17.1(9) 1_455 . . . ? 
O32 K3 O33 C34 89.8(10) 4_475 . . . ? 
Pb2 K3 O33 C34 -52.9(10) . . . . ? 
Pb2 K3 O33 C34 -52.9(10) 4_575 . . . ? 
Pb1 K3 O33 C34 -112.7(9) 4_575 . . . ? 
Pb1 K3 O33 C34 -73.0(10) . . . . ? 
Pb3 K3 O33 C34 -118.6(10) 4_575 . . . ? 
Pb3 K3 O33 C34 -118.6(10) . . . . ? 
O31 K3 O34 C36 -121.5(7) . . . 4_575 ? 
O33 K3 O34 C36 -36.9(7) 4_575 . . 4_575 ? 
O33 K3 O34 C36 154.0(9) . . . 4_575 ? 
O32 K3 O34 C36 -175.8(7) 1_455 . . 4_575 ? 
O32 K3 O34 C36 -67.1(8) 4_475 . . 4_575 ? 
Pb2 K3 O34 C36 58.5(7) . . . 4_575 ? 
Pb2 K3 O34 C36 58.5(7) 4_575 . . 4_575 ? 
Pb1 K3 O34 C36 20.7(8) 4_575 . . 4_575 ? 
Pb1 K3 O34 C36 96.4(7) . . . 4_575 ? 
Pb3 K3 O34 C36 58.5(7) 4_575 . . 4_575 ? 
Pb3 K3 O34 C36 58.5(7) . . . 4_575 ? 
O31 K3 O34 C36 121.5(8) . . . . ? 
O33 K3 O34 C36 -154.0(9) 4_575 . . . ? 
O33 K3 O34 C36 36.9(7) . . . . ? 
O32 K3 O34 C36 67.1(8) 1_455 . . . ? 
O32 K3 O34 C36 175.8(7) 4_475 . . . ? 
Pb2 K3 O34 C36 -58.5(8) . . . . ? 
Pb2 K3 O34 C36 -58.5(8) 4_575 . . . ? 
Pb1 K3 O34 C36 -96.4(7) 4_575 . . . ? 
Pb1 K3 O34 C36 -20.7(8) . . . . ? 
Pb3 K3 O34 C36 -58.5(8) 4_575 . . . ? 
Pb3 K3 O34 C36 -58.5(8) . . . . ? 
C33 O32 C32 C31 -177.4(11) . . . . ? 
K3 O32 C32 C31 -71.1(12) 1_655 . . . ? 
O31 C31 C32 O32 66.4(17) 1_655 . . . ? 
C32 O32 C33 C34 178.5(11) . . . 1_655 ? 
K3 O32 C33 C34 73.1(11) 1_655 . . 1_655 ? 
C35 O33 C34 C33 177.5(11) . . . 1_455 ? 
K3 O33 C34 C33 11.2(15) . . . 1_455 ? 
C34 O33 C35 C36 169.5(11) . . . . ? 
K3 O33 C35 C36 -23.6(13) . . . . ? 
C36 O34 C36 C35 178.6(8) 4_575 . . . ? 
K3 O34 C36 C35 -68.3(11) . . . . ? 
O33 C35 C36 O34 64.4(14) . . . . ? 
O43 K4 O41 C41 137.1(12) . . . 4_565 ? 
O43 K4 O41 C41 2.1(13) 4_565 . . 4_565 ? 
N4 K4 O41 C41 -142.6(12) . . . 4_565 ? 
N4 K4 O41 C41 -78.2(13) 4_565 . . 4_565 ? 
O42 K4 O41 C41 -4.9(12) 4_565 . . 4_565 ? 
O42 K4 O41 C41 144.1(13) . . . 4_565 ? 
O44 K4 O41 C41 69.6(12) . . . 4_565 ? 
C43 K4 O41 C41 -11.2(13) 4_565 . . 4_565 ? 
C43 K4 O41 C41 150.5(14) . . . 4_565 ? 
O43 K4 O41 C41 -2.1(13) . . . . ? 
O43 K4 O41 C41 -137.1(12) 4_565 . . . ? 
N4 K4 O41 C41 78.2(13) . . . . ? 
N4 K4 O41 C41 142.6(12) 4_565 . . . ? 
O42 K4 O41 C41 -144.1(13) 4_565 . . . ? 
O42 K4 O41 C41 4.9(12) . . . . ? 
O44 K4 O41 C41 -69.6(12) . . . . ? 
C43 K4 O41 C41 -150.5(14) 4_565 . . . ? 
C43 K4 O41 C41 11.2(13) . . . . ? 
O41 K4 O42 C431 142.7(15) . . . . ? 
O43 K4 O42 C431 -44.7(14) . . . . ? 
O43 K4 O42 C431 -126.3(15) 4_565 . . . ? 
N4 K4 O42 C431 28.7(14) . . . . ? 
N4 K4 O42 C431 61.3(16) 4_565 . . . ? 
O42 K4 O42 C431 171.0(13) 4_565 . . . ? 
O44 K4 O42 C431 -71.6(15) . . . . ? 
C43 K4 O42 C431 177.7(16) 4_565 . . . ? 
C43 K4 O42 C431 -21(2) . . . . ? 
O41 K4 O42 C43 163.9(17) . . . . ? 
O43 K4 O42 C43 -23.6(16) . . . . ? 
O43 K4 O42 C43 -105.1(17) 4_565 . . . ? 
N4 K4 O42 C43 49.9(16) . . . . ? 
N4 K4 O42 C43 82.5(17) 4_565 . . . ? 
O42 K4 O42 C43 -167.8(15) 4_565 . . . ? 
O44 K4 O42 C43 -50.4(16) . . . . ? 
C43 K4 O42 C43 -161(2) 4_565 . . . ? 
O41 K4 O42 C42 26.6(11) . . . . ? 
O43 K4 O42 C42 -160.8(12) . . . . ? 
O43 K4 O42 C42 117.7(12) 4_565 . . . ? 
N4 K4 O42 C42 -87.4(11) . . . . ? 
N4 K4 O42 C42 -54.8(12) 4_565 . . . ? 
O42 K4 O42 C42 55.0(12) 4_565 . . . ? 
O44 K4 O42 C42 172.3(11) . . . . ? 
C43 K4 O42 C42 61.6(14) 4_565 . . . ? 
C43 K4 O42 C42 -137(2) . . . . ? 
O41 K4 O43 C45 -135(3) . . . . ? 
O43 K4 O43 C45 1(3) 4_565 . . . ? 
N4 K4 O43 C45 122(3) . . . . ? 
N4 K4 O43 C45 86(3) 4_565 . . . ? 
O42 K4 O43 C45 -63(3) 4_565 . . . ? 
O42 K4 O43 C45 -142(3) . . . . ? 
O44 K4 O43 C45 6(3) . . . . ? 
C43 K4 O43 C45 -21(3) 4_565 . . . ? 
C43 K4 O43 C45 -158(3) . . . . ? 
O41 K4 O43 C44 8(3) . . . . ? 
O43 K4 O43 C44 145(3) 4_565 . . . ? 
N4 K4 O43 C44 -95(3) . . . . ? 
N4 K4 O43 C44 -130(3) 4_565 . . . ? 
O42 K4 O43 C44 80(3) 4_565 . . . ? 
O42 K4 O43 C44 1(3) . . . . ? 
O44 K4 O43 C44 150(3) . . . . ? 
C43 K4 O43 C44 122(3) 4_565 . . . ? 
C43 K4 O43 C44 -14(3) . . . . ? 
O41 K4 O43 C441 22.1(19) . . . . ? 
O43 K4 O43 C441 158.7(17) 4_565 . . . ? 
N4 K4 O43 C441 -80.5(18) . . . . ? 
N4 K4 O43 C441 -116.2(18) 4_565 . . . ? 
O42 K4 O43 C441 94.4(19) 4_565 . . . ? 
O42 K4 O43 C441 15.0(18) . . . . ? 
O44 K4 O43 C441 163.8(19) . . . . ? 
C43 K4 O43 C441 136.5(19) 4_565 . . . ? 
C43 K4 O43 C441 0(2) . . . . ? 
O41 K4 O43 C451 -153.2(18) . . . . ? 
O43 K4 O43 C451 -16.6(19) 4_565 . . . ? 
N4 K4 O43 C451 104.2(18) . . . . ? 
N4 K4 O43 C451 68.4(18) 4_565 . . . ? 
O42 K4 O43 C451 -80.9(19) 4_565 . . . ? 
O42 K4 O43 C451 -160.3(18) . . . . ? 
O44 K4 O43 C451 -11.6(18) . . . . ? 
C43 K4 O43 C451 -39(2) 4_565 . . . ? 
C43 K4 O43 C451 -176(2) . . . . ? 
O41 K4 O44 C461 -134.2(19) . . . 4_565 ? 
O43 K4 O44 C461 139(2) . . . 4_565 ? 
O43 K4 O44 C461 -47.0(18) 4_565 . . 4_565 ? 
N4 K4 O44 C461 76.8(19) . . . 4_565 ? 
N4 K4 O44 C461 15(2) 4_565 . . 4_565 ? 
O42 K4 O44 C461 -74(2) 4_565 . . 4_565 ? 
O42 K4 O44 C461 165.8(19) . . . 4_565 ? 
C43 K4 O44 C461 -57(2) 4_565 . . 4_565 ? 
C43 K4 O44 C461 148(2) . . . 4_565 ? 
O41 K4 O44 C461 134.2(19) . . . . ? 
O43 K4 O44 C461 47.0(19) . . . . ? 
O43 K4 O44 C461 -139(2) 4_565 . . . ? 
N4 K4 O44 C461 -15(2) . . . . ? 
N4 K4 O44 C461 -76.8(19) 4_565 . . . ? 
O42 K4 O44 C461 -165.8(19) 4_565 . . . ? 
O42 K4 O44 C461 74(2) . . . . ? 
C43 K4 O44 C461 -148(2) 4_565 . . . ? 
C43 K4 O44 C461 57(2) . . . . ? 
O41 K4 O44 C46 -105(2) . . . 4_565 ? 
O43 K4 O44 C46 167(2) . . . 4_565 ? 
O43 K4 O44 C46 -18(2) 4_565 . . 4_565 ? 
N4 K4 O44 C46 106(2) . . . 4_565 ? 
N4 K4 O44 C46 44(2) 4_565 . . 4_565 ? 
O42 K4 O44 C46 -45(2) 4_565 . . 4_565 ? 
O42 K4 O44 C46 -165(2) . . . 4_565 ? 
C43 K4 O44 C46 -28(2) 4_565 . . 4_565 ? 
C43 K4 O44 C46 177(2) . . . 4_565 ? 
O41 K4 O44 C46 105(2) . . . . ? 
O43 K4 O44 C46 18(2) . . . . ? 
O43 K4 O44 C46 -167(2) 4_565 . . . ? 
N4 K4 O44 C46 -44(2) . . . . ? 
N4 K4 O44 C46 -106(2) 4_565 . . . ? 
O42 K4 O44 C46 165(2) 4_565 . . . ? 
O42 K4 O44 C46 45(2) . . . . ? 
C43 K4 O44 C46 -177(2) 4_565 . . . ? 
C43 K4 O44 C46 28(2) . . . . ? 
C41 O41 C41 C42 -178.4(10) 4_565 . . . ? 
K4 O41 C41 C42 -36(2) . . . . ? 
C431 O42 C42 C41 -175(2) . . . . ? 
C43 O42 C42 C41 177(3) . . . . ? 
K4 O42 C42 C41 -60.4(18) . . . . ? 
O41 C41 C42 O42 66(2) . . . . ? 
C431 O42 C43 C44 166(11) . . . . ? 
C42 O42 C43 C44 -173(3) . . . . ? 
K4 O42 C43 C44 62(4) . . . . ? 
C431 O42 C43 K4 103(8) . . . . ? 
C42 O42 C43 K4 124(2) . . . . ? 
O41 K4 C43 O42 -13.9(14) . . . . ? 
O43 K4 C43 O42 146(2) . . . . ? 
O43 K4 C43 O42 110.2(13) 4_565 . . . ? 
N4 K4 C43 O42 -126.4(16) . . . . ? 
N4 K4 C43 O42 -120.6(14) 4_565 . . . ? 
O42 K4 C43 O42 16(2) 4_565 . . . ? 
O44 K4 C43 O42 132.6(15) . . . . ? 
C43 K4 C43 O42 33(4) 4_565 . . . ? 
O41 K4 C43 C44 -149(2) . . . . ? 
O43 K4 C43 C44 10(2) . . . . ? 
O43 K4 C43 C44 -25(3) 4_565 . . . ? 
N4 K4 C43 C44 98(2) . . . . ? 
N4 K4 C43 C44 104(2) 4_565 . . . ? 
O42 K4 C43 C44 -120(2) 4_565 . . . ? 
O42 K4 C43 C44 -135(3) . . . . ? 
O44 K4 C43 C44 -3(2) . . . . ? 
C43 K4 C43 C44 -102(3) 4_565 . . . ? 
C43 O42 C431 C441 -15(7) . . . . ? 
C42 O42 C431 C441 -177.4(19) . . . . ? 
K4 O42 C431 C441 67(2) . . . . ? 
C45 O43 C44 C43 175(3) . . . . ? 
C441 O43 C44 C43 -18(7) . . . . ? 
C451 O43 C44 C43 -178(2) . . . . ? 
K4 O43 C44 C43 21(4) . . . . ? 
C441 O43 C44 C45 167(9) . . . . ? 
C451 O43 C44 C45 8(3) . . . . ? 
K4 O43 C44 C45 -154(3) . . . . ? 
O42 C43 C44 O43 -59(5) . . . . ? 
K4 C43 C44 O43 -13(3) . . . . ? 
O42 C43 C44 C45 -53(7) . . . . ? 
K4 C43 C44 C45 -8(5) . . . . ? 
C45 O43 C441 C431 177(3) . . . . ? 
C44 O43 C441 C431 163(12) . . . . ? 
C451 O43 C441 C431 -171(3) . . . . ? 
K4 O43 C441 C431 15(4) . . . . ? 
O42 C431 C441 O43 -58(4) . . . . ? 
C44 O43 C45 C46 180(3) . . . . ? 
C441 O43 C45 C46 175(3) . . . . ? 
C451 O43 C45 C46 17(6) . . . . ? 
K4 O43 C45 C46 -27(4) . . . . ? 
C441 O43 C45 C44 -5(4) . . . . ? 
C451 O43 C45 C44 -163(8) . . . . ? 
K4 O43 C45 C44 153(3) . . . . ? 
C43 C44 C45 O43 -8(5) . . . . ? 
O43 C44 C45 C46 -1(6) . . . . ? 
C43 C44 C45 C46 -8(11) . . . . ? 
C45 O43 C451 C461 -166(10) . . . . ? 
C44 O43 C451 C461 175(4) . . . . ? 
C441 O43 C451 C461 165(3) . . . . ? 
K4 O43 C451 C461 -21(4) . . . . ? 
C461 O44 C46 C45 -170(5) 4_565 . . . ? 
C461 O44 C46 C45 -157(11) . . . . ? 
C46 O44 C46 C45 178(3) 4_565 . . . ? 
K4 O44 C46 C45 -49(5) . . . . ? 
O43 C45 C46 O44 53(5) . . . . ? 
C44 C45 C46 O44 53(9) . . . . ? 
C461 O44 C461 C451 -179.2(18) 4_565 . . . ? 
C46 O44 C461 C451 175(3) 4_565 . . . ? 
C46 O44 C461 C451 12(6) . . . . ? 
K4 O44 C461 C451 -68(3) . . . . ? 
C46 O44 C461 C461 -6(3) 4_565 . . 4_565 ? 
C46 O44 C461 C461 -168(6) . . . 4_565 ? 
K4 O44 C461 C461 111(3) . . . 4_565 ? 
O43 C451 C461 O44 60(4) . . . . ? 
O43 C451 C461 C461 59(6) . . . 4_565 ? 
O41 K4 N4 C47 109.8(11) . . . . ? 
O43 K4 N4 C47 -137.6(12) . . . . ? 
O43 K4 N4 C47 -31.2(13) 4_565 . . . ? 
N4 K4 N4 C47 8.8(12) 4_565 . . . ? 
O42 K4 N4 C47 46.8(13) 4_565 . . . ? 
O42 K4 N4 C47 165.2(12) . . . . ? 
O44 K4 N4 C47 -87.8(11) . . . . ? 
C43 K4 N4 C47 15.1(14) 4_565 . . . ? 
C43 K4 N4 C47 -176.2(13) . . . . ? 
K4 N4 C47 C47 -9.7(14) . . . 4_565 ? 
C54 C51 C52 C53 0.00(2) 1_655 . . 3_666 ? 
C54 C55 C56 C53 0.000(8) 3_666 . . 1_655 ? 
C54 C55 C56 C57 180.000(6) 3_666 . . . ? 
Pb5 Pb5 Pb2 Pb2 0.000(13) . 4_575 . 4_575 ? 
Pb5 Pb2 Pb2 Pb3 0.000(7) 4_575 . 4_575 . ? 
Pb2 Pb2 Pb3 Pb3 0.0 . 4_575 . 4_575 ? 
Pb1 Pb4 Pb2 Pb3 43.137(14) . . . 4_575 ? 
 
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              26.45 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    1.508 
_refine_diff_density_min   -1.744 
_refine_diff_density_rms    0.222