#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/37/7023723.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7023723
loop_
_publ_author_name
'Fang, Wang'
'Tang, Chunying'
'Chen, Ruihong'
'Jia, Dingxian'
'Jiang, Wenqing'
'Zhang, Yong'
_publ_section_title
;
 Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and
 iodoargentates with lanthanide complex cations as templates.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15150
_journal_page_last               15158
_journal_paper_doi               10.1039/c3dt51829a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C78 H182 I31 N26 O26 Pb11 Pr3'
_chemical_formula_sum            'C78 H182 I31 N26 O26 Pb11 Pr3'
_chemical_formula_weight         8517.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.15(3)
_cell_angle_beta                 95.53(3)
_cell_angle_gamma                107.76(3)
_cell_formula_units_Z            2
_cell_length_a                   15.600(3)
_cell_length_b                   23.524(5)
_cell_length_c                   29.835(6)
_cell_measurement_reflns_used    13399
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.09
_cell_volume                     10088(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 10.4692
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0950
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            79103
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    14.644
_exptl_absorpt_correction_T_max  0.3222
_exptl_absorpt_correction_T_min  0.0796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             7524
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.854
_refine_diff_density_min         -3.016
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1508
_refine_ls_number_reflns         36866
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0437P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1302
_reflns_number_gt                22649
_reflns_number_total             36866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51829a.txt
_cod_data_source_block           g120613b
_cod_original_cell_volume        10088(3)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7023723
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pb1 Pb 0.5000 0.0000 0.5000 0.0528(3) Uani 1 2 d S
Pb2 Pb 0.58171(4) 0.15786(3) 0.46924(2) 0.04362(16) Uani 1 1 d .
Pb3 Pb 0.65270(5) 0.30403(3) 0.59169(2) 0.05039(18) Uani 1 1 d .
Pb4 Pb 0.67261(4) 0.33809(3) 0.457382(19) 0.03692(15) Uani 1 1 d .
Pb5 Pb 0.63610(4) 0.31992(3) 0.318857(19) 0.03929(15) Uani 1 1 d .
Pb6 Pb 0.59514(4) 0.28309(3) 0.178878(19) 0.05011(14) Uani 1 1 d .
Pb7 Pb 0.67595(4) 0.45604(3) 0.15993(2) 0.05089(15) Uani 1 1 d .
Pb8 Pb 0.75567(4) 0.62030(3) 0.13799(2) 0.04477(16) Uani 1 1 d .
Pb9 Pb 0.84207(4) 0.78426(3) 0.11247(2) 0.04811(17) Uani 1 1 d .
Pb10 Pb 0.91605(5) 0.91799(3) 0.24596(3) 0.0624(2) Uani 1 1 d .
Pb11 Pb 0.96568(4) 0.97124(3) 0.12337(2) 0.05018(17) Uani 1 1 d .
Pb12 Pb 1.0000 1.0000 0.0000 0.0517(2) Uani 1 2 d S
I1 I 0.66523(9) 0.05121(6) 0.44505(4) 0.0518(4) Uani 1 1 d .
I2 I 0.37722(8) 0.06030(6) 0.44543(4) 0.0611(4) Uani 1 1 d .
I3 I 0.57817(8) 0.13712(6) 0.57109(4) 0.0597(3) Uani 1 1 d .
I4 I 0.77709(7) 0.26033(5) 0.50952(4) 0.0471(3) Uani 1 1 d .
I5 I 0.49452(7) 0.26458(5) 0.49484(4) 0.0453(3) Uani 1 1 d .
I6 I 0.50316(11) 0.32105(7) 0.64533(5) 0.0865(5) Uani 1 1 d .
I7 I 0.81605(12) 0.34132(7) 0.66761(5) 0.1007(5) Uani 1 1 d .
I8 I 0.61325(7) 0.21174(5) 0.37544(3) 0.0451(3) Uani 1 1 d .
I9 I 0.71800(7) 0.43035(5) 0.56184(4) 0.0494(3) Uani 1 1 d .
I10 I 0.54269(8) 0.38687(6) 0.40066(4) 0.0472(3) Uani 1 1 d .
I11 I 0.82360(8) 0.39168(6) 0.39723(4) 0.0572(4) Uani 1 1 d .
I12 I 0.44831(7) 0.25399(6) 0.24940(4) 0.0569(3) Uani 1 1 d .
I13 I 0.72607(8) 0.24402(6) 0.25179(4) 0.0532(3) Uani 1 1 d .
I14 I 0.67521(7) 0.42391(5) 0.26244(3) 0.0442(3) Uani 1 1 d .
I15 I 0.75561(7) 0.34969(5) 0.12377(4) 0.0495(3) Uani 1 1 d .
I16 I 0.48169(7) 0.35285(5) 0.12872(4) 0.0490(3) Uani 1 1 d .
I17 I 0.52805(8) 0.16330(5) 0.10950(4) 0.0608(3) Uani 1 1 d .
I18 I 0.68596(7) 0.49441(5) 0.06370(3) 0.0476(3) Uani 1 1 d .
I19 I 0.58774(8) 0.56414(5) 0.18855(4) 0.0547(3) Uani 1 1 d .
I20 I 0.87515(7) 0.56290(6) 0.19728(4) 0.0578(3) Uani 1 1 d .
I21 I 0.63867(7) 0.68786(6) 0.08481(4) 0.0570(3) Uani 1 1 d .
I22 I 0.92729(8) 0.67594(5) 0.08495(4) 0.0558(3) Uani 1 1 d .
I23 I 0.83305(7) 0.75880(5) 0.21107(4) 0.0556(3) Uani 1 1 d .
I24 I 1.04072(7) 0.87483(6) 0.16219(5) 0.0489(4) Uani 1 1 d .
I25 I 0.76742(7) 0.89541(5) 0.14493(4) 0.0475(3) Uani 1 1 d .
I26 I 1.00593(8) 1.05268(5) 0.22855(4) 0.0565(3) Uani 1 1 d .
I27 I 0.77128(13) 0.93900(7) 0.30037(5) 0.0768(6) Uani 1 1 d .
I28 I 1.0640(2) 0.93166(10) 0.32113(13) 0.0809(3) Uani 1 1 d .
I29 I 1.15235(7) 1.00822(6) 0.08357(4) 0.0574(3) Uani 1 1 d .
I30 I 0.90466(9) 1.06538(7) 0.07512(4) 0.0684(4) Uani 1 1 d .
I31 I 1.11310(8) 1.12916(6) -0.02486(5) 0.0775(4) Uani 1 1 d .
Pr1 Pr 0.88184(5) 0.76247(4) 0.51164(3) 0.0451(2) Uani 1 1 d .
Pr2 Pr 0.61647(6) 0.14315(4) 0.86041(3) 0.0390(2) Uani 1 1 d .
Pr3 Pr 0.16515(5) 0.39789(4) 0.18555(3) 0.0454(2) Uani 1 1 d .
O1 O 0.9101(8) 0.7381(6) 0.5928(4) 0.056(3) Uani 1 1 d .
O2 O 1.0354(8) 0.8211(6) 0.5517(4) 0.066(3) Uani 1 1 d D
O3 O 0.8181(7) 0.8206(5) 0.5693(4) 0.050(3) Uani 1 1 d .
O4 O 0.7452(7) 0.6822(5) 0.5233(3) 0.041(3) Uani 1 1 d .
O5 O 0.9488(8) 0.6811(6) 0.5097(4) 0.067(3) Uani 1 1 d D
O6 O 0.8142(7) 0.6717(5) 0.4381(4) 0.056(3) Uani 1 1 d D
O7 O 0.7578(8) 0.7762(5) 0.4623(4) 0.061(3) Uani 1 1 d .
O8 O 0.9698(9) 0.7754(6) 0.4477(4) 0.067(3) Uani 1 1 d .
O9 O 0.9222(12) 0.8726(7) 0.5035(7) 0.068(5) Uani 1 1 d D
O10 O 0.7164(7) 0.1716(5) 0.8035(4) 0.055(3) Uani 1 1 d .
O11 O 0.4678(7) 0.0681(5) 0.8598(4) 0.053(3) Uani 1 1 d .
O12 O 0.5569(8) 0.1969(5) 0.9226(3) 0.055(3) Uani 1 1 d .
O13 O 0.6231(7) 0.0986(6) 0.9313(4) 0.064(3) Uani 1 1 d .
O14 O 0.6765(12) 0.2631(7) 0.8708(6) 0.061(7) Uani 1 1 d D
O15 O 0.5083(11) 0.1745(8) 0.8159(5) 0.079(5) Uani 1 1 d D
O16 O 0.5479(8) 0.0680(7) 0.7782(4) 0.084(4) Uani 1 1 d D
O17 O 0.6711(11) 0.0565(6) 0.8453(5) 0.082(5) Uani 1 1 d D
O18 O 0.7695(8) 0.1924(7) 0.9078(4) 0.087(5) Uani 1 1 d .
O19 O 0.3236(7) 0.4465(6) 0.2161(4) 0.063(4) Uani 1 1 d .
O20 O 0.2004(8) 0.3628(6) 0.2579(4) 0.066(4) Uani 1 1 d .
O21 O 0.1886(9) 0.3015(6) 0.1603(5) 0.080(4) Uani 1 1 d D
O22 O 0.0285(7) 0.3101(5) 0.1869(4) 0.068(3) Uani 1 1 d .
O23 O 0.0419(7) 0.4009(5) 0.1304(4) 0.064(3) Uani 1 1 d .
O24 O 0.2010(10) 0.5054(7) 0.1777(6) 0.081(5) Uani 1 1 d D
O25 O 0.1044(9) 0.4482(6) 0.2436(5) 0.077(5) Uani 1 1 d .
O26 O 0.2330(8) 0.4025(6) 0.1158(4) 0.073(4) Uani 1 1 d .
N1 N 0.9381(9) 0.6680(7) 0.6321(5) 0.064(4) Uani 1 1 d D
N2 N 1.1115(9) 0.8597(8) 0.6247(5) 0.077(4) Uani 1 1 d D
N3 N 0.7309(7) 0.8409(6) 0.6226(4) 0.039(3) Uani 1 1 d D
N4 N 0.6249(8) 0.5987(6) 0.4873(4) 0.045(3) Uani 1 1 d .
N5 N 0.9782(9) 0.5965(7) 0.4725(5) 0.056(4) Uani 1 1 d D
N6 N 0.7754(11) 0.6209(9) 0.3636(5) 0.079(5) Uani 1 1 d D
N7 N 0.7191(10) 0.8355(7) 0.4188(5) 0.081(5) Uani 1 1 d .
N8 N 1.0802(11) 0.8133(8) 0.4065(5) 0.075(6) Uani 1 1 d .
N9 N 0.9698(13) 0.9724(8) 0.5480(8) 0.068(5) Uani 1 1 d D
N10 N 0.8310(10) 0.2175(7) 0.7683(6) 0.063(4) Uani 1 1 d .
N11 N 0.3438(8) -0.0154(6) 0.8269(5) 0.048(4) Uani 1 1 d .
N12 N 0.4747(9) 0.2126(7) 0.9784(4) 0.049(4) Uani 1 1 d .
N13 N 0.6351(13) 0.0385(10) 0.9802(7) 0.071(4) Uani 1 1 d .
N14 N 0.6900(11) 0.3621(9) 0.9128(7) 0.075(8) Uani 1 1 d D
N15 N 0.4553(9) 0.2169(7) 0.7651(5) 0.063(4) Uani 1 1 d D
N16 N 0.5283(13) 0.0186(10) 0.7056(6) 0.081(8) Uani 1 1 d D
N17 N 0.6744(11) -0.0286(8) 0.7963(5) 0.074(4) Uani 1 1 d D
N18 N 0.8547(13) 0.2121(10) 0.9764(7) 0.072(4) Uani 1 1 d .
N19 N 0.4052(9) 0.4826(7) 0.2877(5) 0.052(4) Uani 1 1 d D
N20 N 0.2144(9) 0.2885(6) 0.2942(5) 0.060(4) Uani 1 1 d D
N21 N 0.2245(8) 0.2172(6) 0.1311(5) 0.062(4) Uani 1 1 d D
N22 N -0.1016(8) 0.2277(5) 0.1614(4) 0.037(3) Uani 1 1 d .
N23 N -0.0041(9) 0.4514(7) 0.0809(5) 0.062(4) Uani 1 1 d .
N24 N 0.2468(14) 0.6112(7) 0.2002(5) 0.062(10) Uani 1 1 d D
N25 N -0.0130(9) 0.4639(7) 0.2777(4) 0.048(3) Uani 1 1 d .
N26 N 0.3287(9) 0.4238(8) 0.0644(5) 0.056(5) Uani 1 1 d .
C1 C 0.8940(13) 0.6850(10) 0.5990(6) 0.064(5) Uani 1 1 d .
H1 H 0.8459 0.6537 0.5783 0.077 Uiso 1 1 calc R
C2 C 1.0126(13) 0.7156(11) 0.6654(7) 0.077(8) Uani 1 1 d .
H2A H 1.0660 0.7027 0.6676 0.092 Uiso 1 1 calc R
H2B H 0.9939 0.7220 0.6956 0.092 Uiso 1 1 calc R
H2C H 1.0273 0.7536 0.6552 0.092 Uiso 1 1 calc R
C3 C 0.9103(13) 0.6048(8) 0.6370(7) 0.081(6) Uani 1 1 d D
H3A H 0.9019 0.6042 0.6687 0.122 Uiso 1 1 calc R
H3B H 0.9572 0.5871 0.6294 0.122 Uiso 1 1 calc R
H3C H 0.8534 0.5811 0.6163 0.122 Uiso 1 1 calc R
C4 C 1.0984(11) 0.8283(9) 0.5825(6) 0.065(5) Uani 1 1 d D
H4 H 1.1414 0.8091 0.5746 0.078 Uiso 1 1 calc R
C5 C 1.0453(12) 0.8851(11) 0.6416(7) 0.081(8) Uani 1 1 d .
H5A H 0.9909 0.8710 0.6182 0.104 Uiso 1 1 calc R
H5B H 1.0702 0.9296 0.6485 0.104 Uiso 1 1 calc R
H5C H 1.0297 0.8720 0.6695 0.104 Uiso 1 1 calc R
C6 C 1.1904(10) 0.8701(10) 0.6590(6) 0.077(4) Uani 1 1 d D
H6A H 1.2346 0.8550 0.6443 0.116 Uiso 1 1 calc R
H6B H 1.1717 0.8487 0.6830 0.116 Uiso 1 1 calc R
H6C H 1.2179 0.9138 0.6727 0.116 Uiso 1 1 calc R
C7 C 0.7477(11) 0.8071(7) 0.5864(5) 0.042(4) Uani 1 1 d .
H7 H 0.7023 0.7693 0.5723 0.051 Uiso 1 1 calc R
C8 C 0.7949(11) 0.9012(7) 0.6450(6) 0.057(5) Uani 1 1 d .
H8A H 0.8481 0.9093 0.6298 0.085 Uiso 1 1 calc R
H8B H 0.8134 0.9028 0.6773 0.085 Uiso 1 1 calc R
H8C H 0.7660 0.9320 0.6429 0.085 Uiso 1 1 calc R
C9 C 0.6425(9) 0.8214(8) 0.6380(5) 0.054(5) Uani 1 1 d D
H9A H 0.6069 0.8464 0.6299 0.081 Uiso 1 1 calc R
H9B H 0.6520 0.8264 0.6713 0.081 Uiso 1 1 calc R
H9C H 0.6100 0.7786 0.6231 0.081 Uiso 1 1 calc R
C10 C 0.6756(10) 0.6549(7) 0.4935(5) 0.062(4) Uani 1 1 d .
H10 H 0.6586 0.6776 0.4736 0.083 Uiso 1 1 calc R
C11 C 0.6479(14) 0.5610(8) 0.5161(8) 0.094(8) Uani 1 1 d .
H11A H 0.7125 0.5665 0.5182 0.141 Uiso 1 1 calc R
H11B H 0.6126 0.5183 0.5026 0.141 Uiso 1 1 calc R
H11C H 0.6342 0.5731 0.5468 0.141 Uiso 1 1 calc R
C12 C 0.5403(10) 0.5705(8) 0.4530(7) 0.071(6) Uani 1 1 d .
H12A H 0.4880 0.5637 0.4689 0.107 Uiso 1 1 calc R
H12B H 0.5403 0.5316 0.4348 0.107 Uiso 1 1 calc R
H12C H 0.5371 0.5977 0.4327 0.107 Uiso 1 1 calc R
C13 C 0.9799(10) 0.6532(8) 0.4793(5) 0.053(4) Uani 1 1 d D
H13 H 1.0081 0.6757 0.4588 0.063 Uiso 1 1 calc R
C14 C 1.0236(13) 0.5707(9) 0.4389(7) 0.085(7) Uani 1 1 d .
H14A H 1.0640 0.6032 0.4277 0.127 Uiso 1 1 calc R
H14B H 0.9787 0.5420 0.4133 0.127 Uiso 1 1 calc R
H14C H 1.0589 0.5493 0.4531 0.127 Uiso 1 1 calc R
C15 C 0.9363(14) 0.5586(8) 0.5032(7) 0.082(6) Uani 1 1 d D
H15A H 0.9705 0.5756 0.5344 0.123 Uiso 1 1 calc R
H15B H 0.9368 0.5171 0.4923 0.123 Uiso 1 1 calc R
H15C H 0.8738 0.5579 0.5032 0.123 Uiso 1 1 calc R
C16 C 0.793(2) 0.6687(13) 0.3972(6) 0.077(6) Uani 1 1 d D
H16 H 0.7888 0.7047 0.3893 0.096 Uiso 1 1 calc R
C17 C 0.750(2) 0.6182(12) 0.3168(6) 0.075(6) Uani 1 1 d D
H17A H 0.6917 0.5862 0.3049 0.097 Uiso 1 1 calc R
H17B H 0.7960 0.6091 0.2996 0.097 Uiso 1 1 calc R
H17C H 0.7456 0.6574 0.3135 0.097 Uiso 1 1 calc R
C18 C 0.757(2) 0.5624(10) 0.3762(7) 0.081(6) Uani 1 1 d D
H18A H 0.8086 0.5637 0.3978 0.107 Uiso 1 1 calc R
H18B H 0.7472 0.5301 0.3487 0.107 Uiso 1 1 calc R
H18C H 0.7028 0.5543 0.3907 0.107 Uiso 1 1 calc R
C19 C 0.7207(14) 0.8118(10) 0.4549(7) 0.078(4) Uani 1 1 d .
H19 H 0.6887 0.8243 0.4779 0.094 Uiso 1 1 calc R
C20 C 0.7647(14) 0.8147(9) 0.3828(6) 0.085(4) Uani 1 1 d .
H20A H 0.8200 0.8095 0.3965 0.118 Uiso 1 1 calc R
H20B H 0.7803 0.8447 0.3642 0.118 Uiso 1 1 calc R
H20C H 0.7248 0.7757 0.3634 0.118 Uiso 1 1 calc R
C21 C 0.6681(15) 0.8743(11) 0.4099(8) 0.080(9) Uani 1 1 d .
H21A H 0.6239 0.8543 0.3817 0.105 Uiso 1 1 calc R
H21B H 0.7092 0.9129 0.4063 0.105 Uiso 1 1 calc R
H21C H 0.6364 0.8822 0.4356 0.105 Uiso 1 1 calc R
C22 C 1.0486(11) 0.8100(8) 0.4448(6) 0.051(4) Uani 1 1 d .
H22 H 1.0866 0.8350 0.4725 0.061 Uiso 1 1 calc R
C23 C 1.0249(14) 0.7771(12) 0.3630(8) 0.091(6) Uani 1 1 d .
H23A H 1.0101 0.7339 0.3626 0.113 Uiso 1 1 calc R
H23B H 1.0582 0.7862 0.3380 0.113 Uiso 1 1 calc R
H23C H 0.9690 0.7870 0.3590 0.113 Uiso 1 1 calc R
C24 C 1.1728(13) 0.8515(12) 0.4064(7) 0.090(6) Uani 1 1 d .
H24A H 1.1714 0.8805 0.3874 0.113 Uiso 1 1 calc R
H24B H 1.2072 0.8259 0.3939 0.113 Uiso 1 1 calc R
H24C H 1.2015 0.8738 0.4378 0.113 Uiso 1 1 calc R
C25A C 0.973(3) 0.9151(11) 0.5357(14) 0.081(5) Uani 0.50 1 d PD
C25B C 0.909(2) 0.9194(13) 0.5223(19) 0.075(5) Uani 0.50 1 d PD
C26A C 1.053(2) 1.0261(14) 0.559(2) 0.074(5) Uani 0.50 1 d PD
C26B C 1.0684(16) 0.9860(18) 0.550(2) 0.078(5) Uani 0.50 1 d PD
C27A C 0.890(2) 0.9821(18) 0.5208(18) 0.074(5) Uani 0.50 1 d PD
C27B C 0.938(3) 1.0243(12) 0.5610(19) 0.070(5) Uani 0.50 1 d PD
C28 C 0.7949(12) 0.2066(8) 0.8044(6) 0.053(5) Uani 1 1 d .
H28 H 0.8308 0.2268 0.8336 0.064 Uiso 1 1 calc R
C29 C 0.7807(13) 0.1862(11) 0.7217(7) 0.074(8) Uani 1 1 d .
H29A H 0.7186 0.1628 0.7236 0.100 Uiso 1 1 calc R
H29B H 0.8103 0.1588 0.7068 0.100 Uiso 1 1 calc R
H29C H 0.7796 0.2164 0.7038 0.100 Uiso 1 1 calc R
C30 C 0.9237(12) 0.2565(12) 0.7724(8) 0.073(9) Uani 1 1 d .
H30A H 0.9520 0.2699 0.8048 0.104 Uiso 1 1 calc R
H30B H 0.9246 0.2921 0.7603 0.104 Uiso 1 1 calc R
H30C H 0.9572 0.2339 0.7550 0.104 Uiso 1 1 calc R
C31 C 0.4019(9) 0.0379(8) 0.8275(6) 0.060(4) Uani 1 1 d .
H31 H 0.3943 0.0551 0.8021 0.084 Uiso 1 1 calc R
C32 C 0.3469(13) -0.0437(10) 0.8655(7) 0.094(8) Uani 1 1 d .
H32A H 0.4065 -0.0247 0.8849 0.141 Uiso 1 1 calc R
H32B H 0.3363 -0.0872 0.8540 0.141 Uiso 1 1 calc R
H32C H 0.3002 -0.0384 0.8834 0.141 Uiso 1 1 calc R
C33 C 0.2682(12) -0.0474(8) 0.7906(6) 0.067(5) Uani 1 1 d .
H33A H 0.2123 -0.0457 0.8015 0.100 Uiso 1 1 calc R
H33B H 0.2651 -0.0900 0.7811 0.100 Uiso 1 1 calc R
H33C H 0.2758 -0.0285 0.7644 0.100 Uiso 1 1 calc R
C34 C 0.4870(10) 0.1830(8) 0.9403(5) 0.046(4) Uani 1 1 d .
H34 H 0.4388 0.1476 0.9243 0.056 Uiso 1 1 calc R
C35 C 0.5440(13) 0.2675(11) 1.0055(6) 0.082(7) Uani 1 1 d .
H35A H 0.6024 0.2695 0.9960 0.123 Uiso 1 1 calc R
H35B H 0.5476 0.2669 1.0380 0.123 Uiso 1 1 calc R
H35C H 0.5287 0.3031 1.0007 0.123 Uiso 1 1 calc R
C36 C 0.3877(12) 0.1942(11) 0.9948(6) 0.075(7) Uani 1 1 d .
H36A H 0.3442 0.1601 0.9719 0.105 Uiso 1 1 calc R
H36B H 0.3648 0.2286 0.9999 0.105 Uiso 1 1 calc R
H36C H 0.3961 0.1819 1.0237 0.105 Uiso 1 1 calc R
C37 C 0.6234(11) 0.0480(9) 0.9376(6) 0.055(5) Uani 1 1 d .
H37 H 0.6152 0.0156 0.9118 0.065 Uiso 1 1 calc R
C38 C 0.6363(13) -0.0196(10) 0.9870(7) 0.086(7) Uani 1 1 d .
H38A H 0.6284 -0.0476 0.9572 0.128 Uiso 1 1 calc R
H38B H 0.5871 -0.0363 1.0033 0.128 Uiso 1 1 calc R
H38C H 0.6943 -0.0146 1.0052 0.128 Uiso 1 1 calc R
C39 C 0.6454(18) 0.0860(11) 1.0199(7) 0.084(9) Uani 1 1 d .
H39A H 0.7027 0.0939 1.0399 0.108 Uiso 1 1 calc R
H39B H 0.5952 0.0734 1.0367 0.108 Uiso 1 1 calc R
H39C H 0.6453 0.1231 1.0103 0.108 Uiso 1 1 calc R
C40 C 0.656(2) 0.3051(10) 0.8924(9) 0.084(11) Uani 1 1 d D
H40 H 0.5936 0.2908 0.8948 0.115 Uiso 1 1 calc R
C41 C 0.7862(12) 0.3826(11) 0.9244(7) 0.074(4) Uani 1 1 d D
H41A H 0.8060 0.3485 0.9289 0.099 Uiso 1 1 calc R
H41B H 0.8055 0.4147 0.9528 0.099 Uiso 1 1 calc R
H41C H 0.8130 0.3986 0.8995 0.099 Uiso 1 1 calc R
C42A C 0.646(2) 0.3971(14) 0.9421(11) 0.082(4) Uani 0.50 1 d PD
C42B C 0.645(2) 0.4074(13) 0.9124(13) 0.082(4) Uani 0.50 1 d PD
C43 C 0.4648(13) 0.2060(10) 0.8057(7) 0.087(5) Uani 1 1 d D
H43 H 0.4366 0.2235 0.8284 0.104 Uiso 1 1 calc R
C44 C 0.4012(13) 0.2528(10) 0.7534(7) 0.087(5) Uani 1 1 d D
H44A H 0.3870 0.2741 0.7814 0.130 Uiso 1 1 calc R
H44B H 0.3450 0.2261 0.7332 0.130 Uiso 1 1 calc R
H44C H 0.4350 0.2826 0.7376 0.130 Uiso 1 1 calc R
C45 C 0.4953(14) 0.1899(11) 0.7279(6) 0.084(8) Uani 1 1 d D
H45A H 0.5437 0.1771 0.7410 0.103 Uiso 1 1 calc R
H45B H 0.5201 0.2201 0.7104 0.103 Uiso 1 1 calc R
H45C H 0.4486 0.1545 0.7075 0.103 Uiso 1 1 calc R
C46 C 0.5774(18) 0.0600(14) 0.7420(7) 0.092(12) Uani 1 1 d D
H46 H 0.6368 0.0842 0.7403 0.110 Uiso 1 1 calc R
C47 C 0.5695(18) 0.0070(15) 0.6655(8) 0.091(12) Uani 1 1 d D
H47A H 0.5445 0.0223 0.6411 0.128 Uiso 1 1 calc R
H47B H 0.5570 -0.0369 0.6548 0.128 Uiso 1 1 calc R
H47C H 0.6350 0.0277 0.6733 0.128 Uiso 1 1 calc R
C48A C 0.449(4) -0.033(2) 0.7081(15) 0.099(12) Uani 0.50 1 d PD
C48B C 0.431(2) -0.013(3) 0.6992(15) 0.097(12) Uani 0.50 1 d PD
C49 C 0.7089(11) 0.0302(9) 0.8188(6) 0.072(6) Uani 1 1 d D
H49 H 0.7667 0.0530 0.8139 0.087 Uiso 1 1 calc R
C50 C 0.7249(19) -0.0586(12) 0.7681(10) 0.086(9) Uani 1 1 d D
H50A H 0.7060 -0.0603 0.7358 0.114 Uiso 1 1 calc R
H50B H 0.7132 -0.0999 0.7724 0.114 Uiso 1 1 calc R
H50C H 0.7896 -0.0357 0.7771 0.114 Uiso 1 1 calc R
C51 C 0.5886(17) -0.0666(11) 0.8041(10) 0.085(9) Uani 1 1 d D
H51A H 0.5955 -0.1036 0.8115 0.114 Uiso 1 1 calc R
H51B H 0.5433 -0.0776 0.7765 0.114 Uiso 1 1 calc R
H51C H 0.5691 -0.0443 0.8298 0.114 Uiso 1 1 calc R
C52 C 0.8267(17) 0.1837(13) 0.9338(9) 0.082(4) Uani 1 1 d .
H52 H 0.8523 0.1538 0.9218 0.122 Uiso 1 1 calc R
C53 C 0.9244(15) 0.2074(12) 1.0054(7) 0.084(4) Uani 1 1 d .
H53A H 0.9038 0.1996 1.0339 0.112 Uiso 1 1 calc R
H53B H 0.9756 0.2454 1.0122 0.112 Uiso 1 1 calc R
H53C H 0.9433 0.1737 0.9905 0.112 Uiso 1 1 calc R
C54 C 0.8120(15) 0.2551(12) 0.9968(7) 0.078(4) Uani 1 1 d .
H54A H 0.7518 0.2454 0.9791 0.102 Uiso 1 1 calc R
H54B H 0.8490 0.2965 0.9966 0.102 Uiso 1 1 calc R
H54C H 0.8065 0.2523 1.0285 0.102 Uiso 1 1 calc R
C55 C 0.3917(13) 0.4557(8) 0.2446(6) 0.066(5) Uani 1 1 d D
H55 H 0.4381 0.4417 0.2338 0.080 Uiso 1 1 calc R
C56 C 0.4895(14) 0.4957(11) 0.3185(7) 0.079(8) Uani 1 1 d .
H56A H 0.4834 0.4639 0.3355 0.104 Uiso 1 1 calc R
H56B H 0.5035 0.5351 0.3400 0.104 Uiso 1 1 calc R
H56C H 0.5385 0.4969 0.3005 0.104 Uiso 1 1 calc R
C57 C 0.3374(14) 0.5064(11) 0.3066(9) 0.120(9) Uani 1 1 d .
H57A H 0.2859 0.4976 0.2823 0.180 Uiso 1 1 calc R
H57B H 0.3640 0.5504 0.3187 0.180 Uiso 1 1 calc R
H57C H 0.3168 0.4870 0.3313 0.180 Uiso 1 1 calc R
C58 C 0.1770(12) 0.3104(10) 0.2615(6) 0.059(5) Uani 1 1 d .
H58 H 0.1282 0.2820 0.2394 0.071 Uiso 1 1 calc R
C59 C 0.2868(12) 0.3305(10) 0.3296(7) 0.084(7) Uani 1 1 d .
H59A H 0.2809 0.3711 0.3346 0.125 Uiso 1 1 calc R
H59B H 0.3451 0.3323 0.3201 0.125 Uiso 1 1 calc R
H59C H 0.2834 0.3167 0.3582 0.125 Uiso 1 1 calc R
C60 C 0.1793(13) 0.2239(7) 0.2972(7) 0.082(6) Uani 1 1 d D
H60A H 0.1189 0.2043 0.2787 0.123 Uiso 1 1 calc R
H60B H 0.1759 0.2221 0.3292 0.123 Uiso 1 1 calc R
H60C H 0.2200 0.2026 0.2856 0.123 Uiso 1 1 calc R
C61 C 0.2367(13) 0.2755(8) 0.1406(9) 0.065(7) Uani 1 1 d D
H61 H 0.2881 0.3007 0.1314 0.092 Uiso 1 1 calc R
C62A C 0.188(3) 0.1784(18) 0.1622(15) 0.062(7) Uani 0.50 1 d PD
C62B C 0.1290(16) 0.1824(17) 0.1238(18) 0.068(7) Uani 0.50 1 d PD
C63 C 0.2833(12) 0.1892(9) 0.1078(9) 0.075(9) Uani 1 1 d D
H63A H 0.3246 0.2187 0.0944 0.104 Uiso 1 1 calc R
H63B H 0.2467 0.1539 0.0835 0.104 Uiso 1 1 calc R
H63C H 0.3184 0.1761 0.1299 0.104 Uiso 1 1 calc R
C64 C -0.0457(10) 0.2837(7) 0.1610(6) 0.044(4) Uani 1 1 d .
H64 H -0.0641 0.3040 0.1396 0.053 Uiso 1 1 calc R
C65 C -0.0767(10) 0.1946(8) 0.1935(5) 0.055(5) Uani 1 1 d .
H65A H -0.0460 0.1678 0.1786 0.082 Uiso 1 1 calc R
H65B H -0.1312 0.1703 0.2029 0.082 Uiso 1 1 calc R
H65C H -0.0360 0.2236 0.2205 0.082 Uiso 1 1 calc R
C66 C -0.1885(9) 0.2003(7) 0.1309(6) 0.049(4) Uani 1 1 d .
H66A H -0.2374 0.1964 0.1490 0.073 Uiso 1 1 calc R
H66B H -0.1928 0.1600 0.1133 0.073 Uiso 1 1 calc R
H66C H -0.1937 0.2261 0.1097 0.073 Uiso 1 1 calc R
C67 C 0.0057(14) 0.4394(10) 0.1221(8) 0.085(5) Uani 1 1 d .
H67 H -0.0155 0.4605 0.1463 0.103 Uiso 1 1 calc R
C68 C 0.0363(14) 0.4267(10) 0.0438(7) 0.085(5) Uani 1 1 d .
H68A H 0.0473 0.4537 0.0227 0.128 Uiso 1 1 calc R
H68B H -0.0048 0.3864 0.0272 0.128 Uiso 1 1 calc R
H68C H 0.0937 0.4232 0.0564 0.128 Uiso 1 1 calc R
C69 C -0.0519(14) 0.4917(11) 0.0722(7) 0.081(8) Uani 1 1 d .
H69A H -0.0556 0.5168 0.1014 0.113 Uiso 1 1 calc R
H69B H -0.1130 0.4679 0.0558 0.113 Uiso 1 1 calc R
H69C H -0.0199 0.5180 0.0535 0.113 Uiso 1 1 calc R
C70 C 0.2556(16) 0.5566(8) 0.1970(8) 0.079(7) Uani 1 1 d D
H70 H 0.3118 0.5567 0.2117 0.155 Uiso 1 1 calc R
C71 C 0.3183(15) 0.6662(8) 0.2257(7) 0.084(7) Uani 1 1 d D
H71A H 0.3191 0.6695 0.2586 0.114 Uiso 1 1 calc R
H71B H 0.3073 0.7016 0.2176 0.114 Uiso 1 1 calc R
H71C H 0.3766 0.6646 0.2180 0.114 Uiso 1 1 calc R
C72A C 0.170(2) 0.6197(15) 0.1750(13) 0.081(7) Uani 0.50 1 d PD
C72B C 0.1542(16) 0.6153(15) 0.2051(15) 0.090(7) Uani 0.50 1 d PD
C73 C 0.0695(12) 0.4781(9) 0.2695(6) 0.068(6) Uani 1 1 d .
H73 H 0.1086 0.5173 0.2859 0.081 Uiso 1 1 calc R
C74 C -0.0486(12) 0.5036(9) 0.3084(6) 0.078(6) Uani 1 1 d .
H74A H 0.0012 0.5398 0.3255 0.117 Uiso 1 1 calc R
H74B H -0.0789 0.4817 0.3300 0.117 Uiso 1 1 calc R
H74C H -0.0919 0.5159 0.2903 0.117 Uiso 1 1 calc R
C75 C -0.0755(13) 0.4054(11) 0.2548(8) 0.071(9) Uani 1 1 d .
H75A H -0.1135 0.4091 0.2286 0.100 Uiso 1 1 calc R
H75B H -0.1136 0.3887 0.2762 0.100 Uiso 1 1 calc R
H75C H -0.0422 0.3781 0.2440 0.100 Uiso 1 1 calc R
C76 C 0.3081(14) 0.4311(11) 0.1061(7) 0.071(5) Uani 1 1 d .
H76 H 0.3523 0.4596 0.1303 0.095 Uiso 1 1 calc R
C77 C 0.4190(12) 0.4550(11) 0.0541(6) 0.074(8) Uani 1 1 d .
H77A H 0.4574 0.4827 0.0822 0.104 Uiso 1 1 calc R
H77B H 0.4124 0.4781 0.0311 0.104 Uiso 1 1 calc R
H77C H 0.4466 0.4247 0.0421 0.104 Uiso 1 1 calc R
C78 C 0.2640(13) 0.3819(11) 0.0267(7) 0.077(5) Uani 1 1 d .
H78A H 0.2103 0.3599 0.0380 0.111 Uiso 1 1 calc R
H78B H 0.2905 0.3528 0.0111 0.111 Uiso 1 1 calc R
H78C H 0.2470 0.4041 0.0051 0.111 Uiso 1 1 calc R
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 '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'
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
I2 Pb1 I2 180.00(4) 2_656 .
I2 Pb1 I1 90.22(4) 2_656 2_656
I2 Pb1 I1 89.78(4) . 2_656
I2 Pb1 I1 89.78(4) 2_656 .
I2 Pb1 I1 90.22(4) . .
I1 Pb1 I1 180.00(3) 2_656 .
I2 Pb1 I3 83.69(4) 2_656 2_656
I2 Pb1 I3 96.31(4) . 2_656
I1 Pb1 I3 85.90(4) 2_656 2_656
I1 Pb1 I3 94.10(4) . 2_656
I2 Pb1 I3 96.31(4) 2_656 .
I2 Pb1 I3 83.69(4) . .
I1 Pb1 I3 94.10(4) 2_656 .
I1 Pb1 I3 85.90(4) . .
I3 Pb1 I3 180.00(3) 2_656 .
I1 Pb2 I3 89.25(4) . .
I1 Pb2 I4 93.34(4) . .
I3 Pb2 I4 86.54(5) . .
I1 Pb2 I5 178.94(3) . .
I3 Pb2 I5 89.94(4) . .
I4 Pb2 I5 87.30(4) . .
I1 Pb2 I2 91.19(5) . .
I3 Pb2 I2 85.32(5) . .
I4 Pb2 I2 170.62(4) . .
I5 Pb2 I2 88.05(4) . .
I1 Pb2 I8 97.93(4) . .
I3 Pb2 I8 167.00(4) . .
I4 Pb2 I8 82.26(4) . .
I5 Pb2 I8 83.00(4) . .
I2 Pb2 I8 105.25(5) . .
I7 Pb3 I6 102.50(5) . .
I7 Pb3 I9 93.30(5) . .
I6 Pb3 I9 100.99(4) . .
I7 Pb3 I5 170.77(4) . .
I6 Pb3 I5 86.41(4) . .
I9 Pb3 I5 82.50(4) . .
I7 Pb3 I4 91.01(5) . .
I6 Pb3 I4 165.52(5) . .
I9 Pb3 I4 83.16(4) . .
I5 Pb3 I4 80.35(3) . .
I7 Pb3 I3 101.55(5) . .
I6 Pb3 I3 96.18(5) . .
I9 Pb3 I3 154.28(3) . .
I5 Pb3 I3 79.60(5) . .
I4 Pb3 I3 75.77(4) . .
I10 Pb4 I11 87.08(4) . .
I10 Pb4 I5 86.53(4) . .
I11 Pb4 I5 166.64(4) . .
I10 Pb4 I8 89.82(4) . .
I11 Pb4 I8 85.02(4) . .
I5 Pb4 I8 83.24(4) . .
I10 Pb4 I4 168.66(4) . .
I11 Pb4 I4 99.04(4) . .
I5 Pb4 I4 85.46(3) . .
I8 Pb4 I4 81.28(4) . .
I10 Pb4 I9 103.30(4) . .
I11 Pb4 I9 109.96(4) . .
I5 Pb4 I9 82.95(4) . .
I8 Pb4 I9 160.29(3) . .
I4 Pb4 I9 83.66(4) . .
I13 Pb5 I14 90.85(4) . .
I13 Pb5 I12 88.43(4) . .
I14 Pb5 I12 87.14(4) . .
I13 Pb5 I8 85.18(4) . .
I14 Pb5 I8 174.95(3) . .
I12 Pb5 I8 95.85(4) . .
I13 Pb5 I11 95.56(4) . .
I14 Pb5 I11 94.02(4) . .
I12 Pb5 I11 175.82(3) . .
I8 Pb5 I11 83.29(4) . .
I13 Pb5 I10 171.45(3) . .
I14 Pb5 I10 97.44(4) . .
I12 Pb5 I10 94.07(4) . .
I8 Pb5 I10 86.43(3) . .
I11 Pb5 I10 81.81(4) . .
I17 Pb6 I16 98.04(4) . .
I17 Pb6 I12 99.41(5) . .
I16 Pb6 I12 91.52(4) . .
I17 Pb6 I13 96.72(4) . .
I16 Pb6 I13 165.15(4) . .
I12 Pb6 I13 84.44(3) . .
I17 Pb6 I15 95.36(4) . .
I16 Pb6 I15 83.19(3) . .
I12 Pb6 I15 164.88(4) . .
I13 Pb6 I15 97.07(4) . .
I16 Pb7 I15 85.67(4) . .
I16 Pb7 I18 95.99(5) . .
I15 Pb7 I18 90.17(4) . .
I16 Pb7 I19 92.67(4) . .
I15 Pb7 I19 175.47(3) . .
I18 Pb7 I19 85.81(4) . .
I16 Pb7 I20 177.28(3) . .
I15 Pb7 I20 95.29(4) . .
I18 Pb7 I20 86.56(4) . .
I19 Pb7 I20 86.55(4) . .
I16 Pb7 I14 87.22(4) . .
I15 Pb7 I14 91.04(4) . .
I18 Pb7 I14 176.65(4) . .
I19 Pb7 I14 93.08(4) . .
I20 Pb7 I14 90.22(4) . .
I18 Pb8 I20 88.27(4) . .
I18 Pb8 I19 87.11(4) . .
I20 Pb8 I19 88.53(4) . .
I18 Pb8 I21 96.24(4) . .
I20 Pb8 I21 175.44(4) . .
I19 Pb8 I21 90.99(4) . .
I18 Pb8 I22 92.03(4) . .
I20 Pb8 I22 91.36(4) . .
I19 Pb8 I22 179.13(4) . .
I21 Pb8 I22 89.18(4) . .
I18 Pb8 I23 176.12(3) . .
I20 Pb8 I23 94.23(4) . .
I19 Pb8 I23 95.92(4) . .
I21 Pb8 I23 81.31(4) . .
I22 Pb8 I23 84.95(4) . .
I23 Pb9 I24 81.86(5) . .
I23 Pb9 I25 88.19(4) . .
I24 Pb9 I25 87.69(4) . .
I23 Pb9 I21 85.51(5) . .
I24 Pb9 I21 167.36(4) . .
I25 Pb9 I21 91.47(4) . .
I23 Pb9 I22 89.86(4) . .
I24 Pb9 I22 89.21(4) . .
I25 Pb9 I22 176.55(4) . .
I21 Pb9 I22 91.23(4) . .
I28 Pb10 I27 101.21(11) . .
I28 Pb10 I26 94.87(7) . .
I27 Pb10 I26 100.42(5) . .
I28 Pb10 I25 170.01(10) . .
I27 Pb10 I25 88.76(4) . .
I26 Pb10 I25 83.90(5) . .
I28 Pb10 I23 98.76(6) . .
I27 Pb10 I23 99.64(5) . .
I26 Pb10 I23 153.00(4) . .
I25 Pb10 I23 78.64(5) . .
I28 Pb10 I24 91.04(10) . .
I27 Pb10 I24 166.62(5) . .
I26 Pb10 I24 83.73(4) . .
I25 Pb10 I24 78.98(4) . .
I23 Pb10 I24 72.87(4) . .
I30 Pb11 I29 88.90(4) . .
I30 Pb11 I24 173.21(4) . .
I29 Pb11 I24 85.17(4) . .
I30 Pb11 I26 96.55(4) . .
I29 Pb11 I26 106.88(5) . .
I24 Pb11 I26 88.35(4) . .
I30 Pb11 I31 87.37(5) . 2_775
I29 Pb11 I31 84.93(5) . 2_775
I24 Pb11 I31 88.81(5) . 2_775
I26 Pb11 I31 167.57(4) . 2_775
I30 Pb11 I25 98.33(4) . .
I29 Pb11 I25 163.59(4) . .
I24 Pb11 I25 86.58(4) . .
I26 Pb11 I25 87.02(5) . .
I31 Pb11 I25 80.74(5) 2_775 .
I29 Pb12 I29 180.00(4) 2_775 .
I29 Pb12 I30 88.10(4) 2_775 2_775
I29 Pb12 I30 91.90(4) . 2_775
I29 Pb12 I30 91.90(4) 2_775 .
I29 Pb12 I30 88.10(4) . .
I30 Pb12 I30 180.000(1) 2_775 .
I29 Pb12 I31 95.83(5) 2_775 2_775
I29 Pb12 I31 84.17(5) . 2_775
I30 Pb12 I31 93.52(4) 2_775 2_775
I30 Pb12 I31 86.48(4) . 2_775
I29 Pb12 I31 84.17(5) 2_775 .
I29 Pb12 I31 95.83(5) . .
I30 Pb12 I31 86.48(4) 2_775 .
I30 Pb12 I31 93.52(4) . .
I31 Pb12 I31 180.00(4) 2_775 .
Pb2 I1 Pb1 74.28(4) . .
Pb1 I2 Pb2 73.78(4) . .
Pb2 I3 Pb1 73.32(4) . .
Pb2 I3 Pb3 77.72(4) . .
Pb1 I3 Pb3 150.78(4) . .
Pb2 I4 Pb4 79.15(4) . .
Pb2 I4 Pb3 80.15(4) . .
Pb4 I4 Pb3 78.06(3) . .
Pb2 I5 Pb4 80.15(3) . .
Pb2 I5 Pb3 81.18(4) . .
Pb4 I5 Pb3 80.14(4) . .
Pb5 I8 Pb4 76.18(3) . .
Pb5 I8 Pb2 152.36(4) . .
Pb4 I8 Pb2 77.86(3) . .
Pb3 I9 Pb4 82.22(4) . .
Pb4 I10 Pb5 77.14(3) . .
Pb4 I11 Pb5 76.53(3) . .
Pb5 I12 Pb6 77.71(3) . .
Pb5 I13 Pb6 77.94(3) . .
Pb5 I14 Pb7 146.75(4) . .
Pb7 I15 Pb6 77.45(3) . .
Pb7 I16 Pb6 78.77(3) . .
Pb8 I18 Pb7 75.89(4) . .
Pb8 I19 Pb7 73.88(3) . .
Pb8 I20 Pb7 73.80(4) . .
Pb9 I21 Pb8 74.98(4) . .
Pb9 I22 Pb8 74.08(3) . .
Pb9 I23 Pb8 74.77(4) . .
Pb9 I23 Pb10 82.96(4) . .
Pb8 I23 Pb10 157.71(4) . .
Pb9 I24 Pb11 81.23(4) . .
Pb9 I24 Pb10 81.55(4) . .
Pb11 I24 Pb10 76.61(4) . .
Pb9 I25 Pb11 80.25(4) . .
Pb9 I25 Pb10 81.94(4) . .
Pb11 I25 Pb10 76.24(4) . .
Pb10 I26 Pb11 80.20(4) . .
Pb11 I29 Pb12 75.72(3) . .
Pb11 I30 Pb12 75.76(3) . .
Pb11 I31 Pb12 73.91(4) 2_775 .
O2 Pr1 O5 79.3(4) . .
O2 Pr1 O7 139.0(4) . .
O5 Pr1 O7 134.4(4) . .
O2 Pr1 O3 90.7(4) . .
O5 Pr1 O3 135.7(4) . .
O7 Pr1 O3 78.5(4) . .
O2 Pr1 O8 77.0(4) . .
O5 Pr1 O8 78.8(4) . .
O7 Pr1 O8 86.8(4) . .
O3 Pr1 O8 140.9(4) . .
O2 Pr1 O4 138.6(4) . .
O5 Pr1 O4 82.6(4) . .
O7 Pr1 O4 77.6(3) . .
O3 Pr1 O4 77.0(3) . .
O8 Pr1 O4 134.9(4) . .
O2 Pr1 O9 70.2(5) . .
O5 Pr1 O9 140.5(5) . .
O7 Pr1 O9 69.0(5) . .
O3 Pr1 O9 70.4(5) . .
O8 Pr1 O9 70.5(5) . .
O4 Pr1 O9 136.9(5) . .
O2 Pr1 O6 133.8(4) . .
O5 Pr1 O6 66.4(4) . .
O7 Pr1 O6 68.1(4) . .
O3 Pr1 O6 135.4(3) . .
O8 Pr1 O6 67.1(4) . .
O4 Pr1 O6 67.8(3) . .
O9 Pr1 O6 119.9(5) . .
O2 Pr1 O1 69.0(4) . .
O5 Pr1 O1 66.9(4) . .
O7 Pr1 O1 138.0(3) . .
O3 Pr1 O1 69.2(4) . .
O8 Pr1 O1 135.1(4) . .
O4 Pr1 O1 69.6(3) . .
O9 Pr1 O1 120.8(5) . .
O6 Pr1 O1 119.2(4) . .
O17 Pr2 O15 133.1(5) . .
O17 Pr2 O11 86.2(4) . .
O15 Pr2 O11 75.3(5) . .
O17 Pr2 O12 138.5(4) . .
O15 Pr2 O12 79.0(4) . .
O11 Pr2 O12 77.2(4) . .
O17 Pr2 O18 81.7(6) . .
O15 Pr2 O18 137.0(5) . .
O11 Pr2 O18 141.2(4) . .
O12 Pr2 O18 88.0(4) . .
O17 Pr2 O10 79.2(4) . .
O15 Pr2 O10 85.7(4) . .
O11 Pr2 O10 137.0(4) . .
O12 Pr2 O10 136.8(4) . .
O18 Pr2 O10 76.4(4) . .
O17 Pr2 O13 69.2(4) . .
O15 Pr2 O13 137.4(4) . .
O11 Pr2 O13 70.5(4) . .
O12 Pr2 O13 69.4(4) . .
O18 Pr2 O13 70.8(4) . .
O10 Pr2 O13 136.9(4) . .
O17 Pr2 O16 65.7(5) . .
O15 Pr2 O16 67.4(5) . .
O11 Pr2 O16 67.9(4) . .
O12 Pr2 O16 136.1(4) . .
O18 Pr2 O16 135.9(4) . .
O10 Pr2 O16 69.2(4) . .
O13 Pr2 O16 119.1(4) . .
O17 Pr2 O14 139.7(5) . .
O15 Pr2 O14 70.0(6) . .
O11 Pr2 O14 134.0(4) . .
O12 Pr2 O14 67.4(4) . .
O18 Pr2 O14 67.2(6) . .
O10 Pr2 O14 69.4(4) . .
O13 Pr2 O14 119.3(5) . .
O16 Pr2 O14 121.5(5) . .
O25 Pr3 O19 99.2(5) . .
O25 Pr3 O21 140.2(5) . .
O19 Pr3 O21 90.8(5) . .
O25 Pr3 O26 146.6(5) . .
O19 Pr3 O26 77.7(4) . .
O21 Pr3 O26 73.2(4) . .
O25 Pr3 O23 87.0(5) . .
O19 Pr3 O23 143.1(4) . .
O21 Pr3 O23 107.5(5) . .
O26 Pr3 O23 77.5(4) . .
O25 Pr3 O24 73.3(5) . .
O19 Pr3 O24 74.6(4) . .
O21 Pr3 O24 146.1(5) . .
O26 Pr3 O24 73.9(5) . .
O23 Pr3 O24 72.5(4) . .
O25 Pr3 O22 81.5(4) . .
O19 Pr3 O22 143.4(4) . .
O21 Pr3 O22 68.5(4) . .
O26 Pr3 O22 120.8(4) . .
O23 Pr3 O22 73.4(3) . .
O24 Pr3 O22 138.1(4) . .
O25 Pr3 O20 73.4(5) . .
O19 Pr3 O20 71.4(4) . .
O21 Pr3 O20 73.6(5) . .
O26 Pr3 O20 133.7(4) . .
O23 Pr3 O20 143.9(4) . .
O24 Pr3 O20 127.0(5) . .
O22 Pr3 O20 73.9(4) . .
C1 O1 Pr1 124.1(11) . .
C4 O2 Pr1 148.8(12) . .
C7 O3 Pr1 133.6(10) . .
C10 O4 Pr1 124.4(9) . .
C13 O5 Pr1 133.0(11) . .
C16 O6 Pr1 133.9(16) . .
C19 O7 Pr1 144.7(14) . .
C22 O8 Pr1 134.2(11) . .
C25B O9 C25A 52(2) . .
C25B O9 Pr1 137(3) . .
C25A O9 Pr1 120(2) . .
C28 O10 Pr2 136.8(11) . .
C31 O11 Pr2 131.8(9) . .
C34 O12 Pr2 134.6(11) . .
C37 O13 Pr2 134.3(12) . .
C40 O14 Pr2 133.9(16) . .
C43 O15 Pr2 158.9(17) . .
C46 O16 Pr2 133.7(13) . .
C49 O17 Pr2 143.6(13) . .
C52 O18 Pr2 143.4(17) . .
C55 O19 Pr3 152.2(11) . .
C58 O20 Pr3 125.4(12) . .
C61 O21 Pr3 145.4(12) . .
C64 O22 Pr3 133.9(10) . .
C67 O23 Pr3 137.7(14) . .
C70 O24 Pr3 138.3(14) . .
C73 O25 Pr3 171.5(15) . .
C76 O26 Pr3 136.3(13) . .
C1 N1 C3 121.7(16) . .
C1 N1 C2 118.2(17) . .
C3 N1 C2 120.0(15) . .
C4 N2 C5 121.3(15) . .
C4 N2 C6 124.3(16) . .
C5 N2 C6 114.4(15) . .
C7 N3 C8 120.9(12) . .
C7 N3 C9 120.5(13) . .
C8 N3 C9 118.3(12) . .
C10 N4 C11 119.9(14) . .
C10 N4 C12 122.9(13) . .
C11 N4 C12 117.2(13) . .
C13 N5 C14 122.9(15) . .
C13 N5 C15 119.4(14) . .
C14 N5 C15 117.3(15) . .
C16 N6 C17 125(2) . .
C16 N6 C18 116.4(18) . .
C17 N6 C18 116.1(18) . .
C19 N7 C21 125.9(16) . .
C19 N7 C20 116.1(15) . .
C21 N7 C20 117.6(15) . .
C22 N8 C23 120.4(17) . .
C22 N8 C24 121.3(18) . .
C23 N8 C24 118.3(14) . .
C25A N9 C25B 47(2) . .
C25A N9 C27B 163(2) . .
C25B N9 C27B 117.7(17) . .
C25A N9 C26A 121.5(19) . .
C25B N9 C26A 156(4) . .
C27B N9 C26A 76(2) . .
C25A N9 C26B 80(2) . .
C25B N9 C26B 122.2(17) . .
C27B N9 C26B 117.1(15) . .
C26A N9 C26B 41(2) . .
C25A N9 C27A 113.6(17) . .
C25B N9 C27A 67(2) . .
C27B N9 C27A 55(2) . .
C26A N9 C27A 113.1(16) . .
C26B N9 C27A 140(3) . .
C28 N10 C30 121.7(18) . .
C28 N10 C29 120.6(15) . .
C30 N10 C29 117.5(14) . .
C31 N11 C33 123.2(13) . .
C31 N11 C32 121.7(15) . .
C33 N11 C32 114.9(13) . .
C34 N12 C35 121.5(14) . .
C34 N12 C36 121.4(17) . .
C35 N12 C36 117.0(15) . .
C37 N13 C38 121(2) . .
C37 N13 C39 121(2) . .
C38 N13 C39 118.2(17) . .
C40 N14 C41 113(2) . .
C40 N14 C42B 125.7(19) . .
C41 N14 C42B 118.4(17) . .
C40 N14 C42A 125.9(18) . .
C41 N14 C42A 114.6(17) . .
C42B N14 C42A 38.9(9) . .
C43 N15 C44 122.2(15) . .
C43 N15 C45 121.3(15) . .
C44 N15 C45 116.5(15) . .
C46 N16 C47 118.8(16) . .
C46 N16 C48B 126.1(16) . .
C47 N16 C48B 114.7(16) . .
C46 N16 C48A 122.8(17) . .
C47 N16 C48A 113.9(17) . .
C48B N16 C48A 27(6) . .
C49 N17 C51 120.2(16) . .
C49 N17 C50 122.4(17) . .
C51 N17 C50 116.9(19) . .
C52 N18 C53 126(2) . .
C52 N18 C54 119(2) . .
C53 N18 C54 115(2) . .
C55 N19 C56 123.0(17) . .
C55 N19 C57 120.1(17) . .
C56 N19 C57 116.7(17) . .
C58 N20 C59 118.9(15) . .
C58 N20 C60 122.7(16) . .
C59 N20 C60 118.2(15) . .
C61 N21 C62B 110(2) . .
C61 N21 C63 124.8(15) . .
C62B N21 C63 118(2) . .
C61 N21 C62A 122(2) . .
C62B N21 C62A 59(2) . .
C63 N21 C62A 105(2) . .
C64 N22 C65 120.1(13) . .
C64 N22 C66 121.0(12) . .
C65 N22 C66 118.8(12) . .
C67 N23 C69 120.7(17) . .
C67 N23 C68 121.9(16) . .
C69 N23 C68 117.4(15) . .
C70 N24 C71 121.3(14) . .
C70 N24 C72A 122.2(15) . .
C71 N24 C72A 116.2(14) . .
C70 N24 C72B 116.6(15) . .
C71 N24 C72B 111.7(15) . .
C72A N24 C72B 38.5(9) . .
C73 N25 C75 118.6(16) . .
C73 N25 C74 125.2(17) . .
C75 N25 C74 116.3(14) . .
C76 N26 C78 120.1(16) . .
C76 N26 C77 123.4(18) . .
C78 N26 C77 116.4(14) . .
O1 C1 N1 126.9(19) . .
O1 C1 H1 116.6 . .
N1 C1 H1 116.6 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O2 C4 N2 126.4(17) . .
O2 C4 H4 116.8 . .
N2 C4 H4 116.8 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O3 C7 N3 125.6(14) . .
O3 C7 H7 117.2 . .
N3 C7 H7 117.2 . .
N3 C8 H8A 109.5 . .
N3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O4 C10 N4 126.1(14) . .
O4 C10 H10 117.0 . .
N4 C10 H10 117.0 . .
N4 C11 H11A 109.5 . .
N4 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N4 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N4 C12 H12A 109.5 . .
N4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O5 C13 N5 127.8(16) . .
O5 C13 H13 116.1 . .
N5 C13 H13 116.1 . .
N5 C14 H14A 109.5 . .
N5 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N5 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N5 C15 H15A 109.5 . .
N5 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N5 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O6 C16 N6 126(2) . .
O6 C16 H16 116.8 . .
N6 C16 H16 116.8 . .
N6 C17 H17A 109.5 . .
N6 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N6 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N6 C18 H18A 109.5 . .
N6 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N6 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O7 C19 N7 128.0(18) . .
O7 C19 H19 116.0 . .
N7 C19 H19 116.0 . .
N7 C20 H20A 109.5 . .
N7 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N7 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N7 C21 H21A 109.5 . .
N7 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N7 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O8 C22 N8 124.7(18) . .
O8 C22 H22 117.6 . .
N8 C22 H22 117.6 . .
N8 C23 H23A 109.5 . .
N8 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N8 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N8 C24 H24A 109.5 . .
N8 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N8 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C25B C25A O9 63.0(17) . .
C25B C25A N9 66.6(15) . .
O9 C25A N9 127(2) . .
C25B C25A C26B 115(3) . .
O9 C25A C26B 145(4) . .
N9 C25A C26B 52.9(13) . .
C25A C25B O9 65.2(17) . .
C25A C25B N9 66.2(16) . .
O9 C25B N9 129(3) . .
C25A C25B C27A 126(2) . .
O9 C25B C27A 152(5) . .
N9 C25B C27A 61.6(15) . .
C26B C26A N9 69.2(15) . .
C26B C26A C27B 121.1(19) . .
N9 C26A C27B 51.9(12) . .
C26A C26B N9 69.3(16) . .
C26A C26B C25A 116.3(19) . .
N9 C26B C25A 47.0(12) . .
C27B C27A N9 59.9(15) . .
C27B C27A C25B 107(3) . .
N9 C27A C25B 51.0(12) . .
C27A C27B N9 65.0(15) . .
C27A C27B C26A 103(3) . .
N9 C27B C26A 52.4(12) . .
O10 C28 N10 125.3(18) . .
O10 C28 H28 117.4 . .
N10 C28 H28 117.4 . .
N10 C29 H29A 109.5 . .
N10 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N10 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N10 C30 H30A 109.5 . .
N10 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N10 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O11 C31 N11 124.6(15) . .
O11 C31 H31 117.7 . .
N11 C31 H31 117.7 . .
N11 C32 H32A 109.5 . .
N11 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N11 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N11 C33 H33A 109.5 . .
N11 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
N11 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O12 C34 N12 125.9(17) . .
O12 C34 H34 117.1 . .
N12 C34 H34 117.1 . .
N12 C35 H35A 109.5 . .
N12 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N12 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N12 C36 H36A 109.5 . .
N12 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
N12 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O13 C37 N13 121.6(19) . .
O13 C37 H37 119.2 . .
N13 C37 H37 119.2 . .
N13 C38 H38A 109.5 . .
N13 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N13 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N13 C39 H39A 109.5 . .
N13 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
N13 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O14 C40 N14 141(3) . .
O14 C40 H40 109.3 . .
N14 C40 H40 109.3 . .
N14 C41 H41A 109.5 . .
N14 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N14 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C42B C42A N14 70.2(12) . .
C42A C42B N14 70.9(12) . .
O15 C43 N15 123.1(18) . .
O15 C43 H43 118.5 . .
N15 C43 H43 118.5 . .
N15 C44 H44A 109.5 . .
N15 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
N15 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N15 C45 H45A 109.5 . .
N15 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
N15 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
O16 C46 N16 121.3(17) . .
O16 C46 H46 119.4 . .
N16 C46 H46 119.4 . .
N16 C47 H47A 109.5 . .
N16 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
N16 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C48B C48A N16 75(3) . .
C48A C48B N16 78(4) . .
O17 C49 N17 124.7(17) . .
O17 C49 H49 117.6 . .
N17 C49 H49 117.6 . .
N17 C50 H50A 109.5 . .
N17 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N17 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N17 C51 H51A 109.5 . .
N17 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N17 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
O18 C52 N18 125(3) . .
O18 C52 H52 117.5 . .
N18 C52 H52 117.5 . .
N18 C53 H53A 109.5 . .
N18 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N18 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N18 C54 H54A 109.5 . .
N18 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
N18 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
O19 C55 N19 125.9(18) . .
O19 C55 H55 117.1 . .
N19 C55 H55 117.1 . .
N19 C56 H56A 109.5 . .
N19 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
N19 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N19 C57 H57A 109.5 . .
N19 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N19 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
O20 C58 N20 126.1(18) . .
O20 C58 H58 116.9 . .
N20 C58 H58 116.9 . .
N20 C59 H59A 109.5 . .
N20 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N20 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N20 C60 H60A 109.5 . .
N20 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N20 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O21 C61 N21 127.3(17) . .
O21 C61 H61 116.4 . .
N21 C61 H61 116.4 . .
C62B C62A N21 59.5(15) . .
N21 C62B C62A 61.3(15) . .
N21 C63 H63A 109.5 . .
N21 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N21 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
O22 C64 N22 124.1(14) . .
O22 C64 H64 117.9 . .
N22 C64 H64 117.9 . .
N22 C65 H65A 109.5 . .
N22 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N22 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
N22 C66 H66A 109.5 . .
N22 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
N22 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
O23 C67 N23 122.7(19) . .
O23 C67 H67 118.6 . .
N23 C67 H67 118.6 . .
N23 C68 H68A 109.5 . .
N23 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
N23 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
N23 C69 H69A 109.5 . .
N23 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
N23 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O24 C70 N24 129.5(19) . .
O24 C70 H70 115.3 . .
N24 C70 H70 115.2 . .
N24 C71 H71A 109.5 . .
N24 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N24 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C72B C72A N24 73.6(12) . .
C72A C72B N24 67.9(12) . .
O25 C73 N25 129(2) . .
O25 C73 H73 115.3 . .
N25 C73 H73 115.3 . .
N25 C74 H74A 109.5 . .
N25 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
N25 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N25 C75 H75A 109.5 . .
N25 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
N25 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
O26 C76 N26 124(2) . .
O26 C76 H76 117.9 . .
N26 C76 H76 117.9 . .
N26 C77 H77A 109.5 . .
N26 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
N26 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
N26 C78 H78A 109.5 . .
N26 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
N26 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 I2 3.2063(14) 2_656
Pb1 I2 3.2063(14) .
Pb1 I1 3.2352(15) 2_656
Pb1 I1 3.2352(15) .
Pb1 I3 3.2933(19) 2_656
Pb1 I3 3.2933(19) .
Pb2 I1 3.1602(16) .
Pb2 I3 3.1723(13) .
Pb2 I4 3.1994(19) .
Pb2 I5 3.2060(14) .
Pb2 I2 3.2271(19) .
Pb2 I8 3.3072(13) .
Pb3 I7 3.025(2) .
Pb3 I6 3.0339(16) .
Pb3 I9 3.1642(15) .
Pb3 I5 3.3899(18) .
Pb3 I4 3.4627(15) .
Pb3 I3 3.6455(18) .
Pb4 I10 3.1301(14) .
Pb4 I11 3.1993(15) .
Pb4 I5 3.2207(15) .
Pb4 I8 3.2777(18) .
Pb4 I4 3.2945(14) .
Pb4 I9 3.3085(18) .
Pb5 I13 3.1384(15) .
Pb5 I14 3.1731(14) .
Pb5 I12 3.1776(19) .
Pb5 I8 3.2674(14) .
Pb5 I11 3.319(2) .
Pb5 I10 3.3405(16) .
Pb6 I17 2.9745(18) .
Pb6 I16 3.2057(14) .
Pb6 I12 3.2665(15) .
Pb6 I13 3.2880(15) .
Pb6 I15 3.2896(15) .
Pb7 I16 3.1683(18) .
Pb7 I15 3.1748(15) .
Pb7 I18 3.1757(13) .
Pb7 I19 3.2573(15) .
Pb7 I20 3.2713(19) .
Pb7 I14 3.2896(13) .
Pb8 I18 3.1459(19) .
Pb8 I20 3.2018(15) .
Pb8 I19 3.2101(15) .
Pb8 I21 3.2498(15) .
Pb8 I22 3.2961(15) .
Pb8 I23 3.343(2) .
Pb9 I23 3.1214(14) .
Pb9 I24 3.195(2) .
Pb9 I25 3.1979(15) .
Pb9 I21 3.2053(18) .
Pb9 I22 3.2252(15) .
Pb10 I28 2.955(2) .
Pb10 I27 3.0096(19) .
Pb10 I26 3.2157(16) .
Pb10 I25 3.4679(18) .
Pb10 I23 3.4724(18) .
Pb10 I24 3.4956(18) .
Pb11 I30 3.1841(16) .
Pb11 I29 3.1884(15) .
Pb11 I24 3.1983(15) .
Pb11 I26 3.2363(18) .
Pb11 I31 3.252(2) 2_775
Pb11 I25 3.2593(15) .
Pb12 I29 3.2085(16) 2_775
Pb12 I29 3.2085(16) .
Pb12 I30 3.2102(15) 2_775
Pb12 I30 3.2102(15) .
Pb12 I31 3.2784(17) 2_775
Pb12 I31 3.2784(17) .
I31 Pb11 3.252(2) 2_775
Pr1 O2 2.422(12) .
Pr1 O5 2.438(12) .
Pr1 O7 2.456(11) .
Pr1 O3 2.464(10) .
Pr1 O8 2.467(11) .
Pr1 O4 2.484(9) .
Pr1 O9 2.538(16) .
Pr1 O6 2.617(11) .
Pr1 O1 2.620(11) .
Pr2 O17 2.422(13) .
Pr2 O15 2.422(14) .
Pr2 O11 2.444(10) .
Pr2 O12 2.458(10) .
Pr2 O18 2.464(13) .
Pr2 O10 2.464(10) .
Pr2 O13 2.544(11) .
Pr2 O16 2.635(13) .
Pr2 O14 2.633(15) .
Pr3 O25 2.347(12) .
Pr3 O19 2.385(11) .
Pr3 O21 2.395(13) .
Pr3 O26 2.430(10) .
Pr3 O23 2.435(11) .
Pr3 O24 2.482(14) .
Pr3 O22 2.485(10) .
Pr3 O20 2.527(11) .
O1 C1 1.25(2) .
O2 C4 1.226(14) .
O3 C7 1.234(16) .
O4 C10 1.245(16) .
O5 C13 1.239(14) .
O6 C16 1.217(16) .
O7 C19 1.20(2) .
O8 C22 1.273(18) .
O9 C25B 1.220(18) .
O9 C25A 1.243(19) .
O10 C28 1.245(17) .
O11 C31 1.260(17) .
O12 C34 1.240(16) .
O13 C37 1.240(19) .
O14 C40 1.217(12) .
O15 C43 1.207(15) .
O16 C46 1.219(13) .
O17 C49 1.217(14) .
O18 C52 1.22(2) .
O19 C55 1.229(19) .
O20 C58 1.20(2) .
O21 C61 1.229(14) .
O22 C64 1.235(17) .
O23 C67 1.25(2) .
O24 C70 1.232(15) .
O25 C73 1.222(19) .
O26 C76 1.25(2) .
N1 C1 1.34(2) .
N1 C3 1.457(15) .
N1 C2 1.47(2) .
N2 C4 1.29(2) .
N2 C5 1.43(2) .
N2 C6 1.449(14) .
N3 C7 1.309(18) .
N3 C8 1.449(19) .
N3 C9 1.464(13) .
N4 C10 1.284(17) .
N4 C11 1.44(2) .
N4 C12 1.474(19) .
N5 C13 1.30(2) .
N5 C14 1.43(2) .
N5 C15 1.462(15) .
N6 C16 1.29(3) .
N6 C17 1.396(15) .
N6 C18 1.449(16) .
N7 C19 1.31(2) .
N7 C21 1.42(2) .
N7 C20 1.43(2) .
N8 C22 1.293(19) .
N8 C23 1.44(3) .
N8 C24 1.45(2) .
N9 C25A 1.343(17) .
N9 C25B 1.346(17) .
N9 C27B 1.455(16) .
N9 C26A 1.465(17) .
N9 C26B 1.464(16) .
N9 C27A 1.524(18) .
N10 C28 1.295(19) .
N10 C30 1.44(2) .
N10 C29 1.46(2) .
N11 C31 1.298(18) .
N11 C33 1.425(19) .
N11 C32 1.44(2) .
N12 C34 1.275(19) .
N12 C35 1.44(2) .
N12 C36 1.457(18) .
N13 C37 1.34(2) .
N13 C38 1.43(3) .
N13 C39 1.42(3) .
N14 C40 1.281(16) .
N14 C41 1.413(15) .
N14 C42B 1.443(16) .
N14 C42A 1.450(16) .
N15 C43 1.288(15) .
N15 C44 1.428(14) .
N15 C45 1.459(15) .
N16 C46 1.299(15) .
N16 C47 1.433(16) .
N16 C48B 1.446(15) .
N16 C48A 1.467(16) .
N17 C49 1.330(15) .
N17 C51 1.435(16) .
N17 C50 1.436(16) .
N18 C52 1.28(3) .
N18 C53 1.37(2) .
N18 C54 1.45(3) .
N19 C55 1.286(15) .
N19 C56 1.44(2) .
N19 C57 1.45(2) .
N20 C58 1.35(2) .
N20 C59 1.43(2) .
N20 C60 1.474(14) .
N21 C61 1.294(15) .
N21 C62B 1.437(18) .
N21 C63 1.440(15) .
N21 C62A 1.463(18) .
N22 C64 1.343(17) .
N22 C65 1.440(17) .
N22 C66 1.443(17) .
N23 C67 1.32(2) .
N23 C69 1.42(2) .
N23 C68 1.44(2) .
N24 C70 1.320(14) .
N24 C71 1.438(15) .
N24 C72A 1.445(16) .
N24 C72B 1.496(16) .
N25 C73 1.287(19) .
N25 C75 1.41(2) .
N25 C74 1.45(2) .
N26 C76 1.31(2) .
N26 C78 1.42(2) .
N26 C77 1.47(2) .
C1 H1 0.9400 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 H2C 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 H3C 0.9700 .
C4 H4 0.9400 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 H5C 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 H6C 0.9700 .
C7 H7 0.9400 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 H8C 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 H10 0.9400 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 H12C 0.9700 .
C13 H13 0.9400 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 H14C 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16 0.9400 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 H17C 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 0.9700 .
C19 H19 0.9400 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 H22 0.9400 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25A C25B 1.08(5) .
C25A C26B 1.81(4) .
C25B C27A 1.60(5) .
C26A C26B 1.04(5) .
C26A C27B 1.79(4) .
C27A C27B 1.38(6) .
C28 H28 0.9400 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31 0.9400 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34 0.9400 .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C35 H35C 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C36 H36C 0.9700 .
C37 H37 0.9400 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C38 H38C 0.9700 .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C39 H39C 0.9700 .
C40 H40 0.9400 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41 H41C 0.9700 .
C42A C42B 0.963(19) .
C43 H43 0.9400 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 H44C 0.9700 .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C45 H45C 0.9700 .
C46 H46 0.9400 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47 H47C 0.9700 .
C48A C48B 0.69(15) .
C49 H49 0.9400 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C50 H50C 0.9700 .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C51 H51C 0.9700 .
C52 H52 0.9400 .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C53 H53C 0.9700 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C54 H54C 0.9700 .
C55 H55 0.9400 .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C56 H56C 0.9700 .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C57 H57C 0.9700 .
C58 H58 0.9400 .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C59 H59C 0.9700 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C60 H60C 0.9700 .
C61 H61 0.9400 .
C62A C62B 1.43(6) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C63 H63C 0.9700 .
C64 H64 0.9400 .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C65 H65C 0.9700 .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C66 H66C 0.9700 .
C67 H67 0.9400 .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C68 H68C 0.9700 .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C69 H69C 0.9700 .
C70 H70 0.9400 .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C71 H71C 0.9700 .
C72A C72B 0.970(19) .
C73 H73 0.9400 .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C74 H74C 0.9700 .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C75 H75C 0.9700 .
C76 H76 0.9400 .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C77 H77C 0.9700 .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C78 H78C 0.9700 .
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_4
I3 Pb2 I1 Pb1 45.12(4) . .
I4 Pb2 I1 Pb1 131.61(3) . .
I5 Pb2 I1 Pb1 5(2) . .
I2 Pb2 I1 Pb1 -40.18(3) . .
I8 Pb2 I1 Pb1 -145.76(4) . .
I2 Pb1 I1 Pb2 -139.52(4) 2_656 .
I2 Pb1 I1 Pb2 40.48(4) . .
I1 Pb1 I1 Pb2 9(100) 2_656 .
I3 Pb1 I1 Pb2 136.82(3) 2_656 .
I3 Pb1 I1 Pb2 -43.18(3) . .
I2 Pb1 I2 Pb2 105(100) 2_656 .
I1 Pb1 I2 Pb2 140.40(4) 2_656 .
I1 Pb1 I2 Pb2 -39.60(4) . .
I3 Pb1 I2 Pb2 -133.75(4) 2_656 .
I3 Pb1 I2 Pb2 46.25(4) . .
I1 Pb2 I2 Pb1 40.74(3) . .
I3 Pb2 I2 Pb1 -48.41(4) . .
I4 Pb2 I2 Pb1 -78.2(2) . .
I5 Pb2 I2 Pb1 -138.51(3) . .
I8 Pb2 I2 Pb1 139.29(3) . .
I1 Pb2 I3 Pb1 -44.38(3) . .
I4 Pb2 I3 Pb1 -137.78(4) . .
I5 Pb2 I3 Pb1 134.93(3) . .
I2 Pb2 I3 Pb1 46.88(4) . .
I8 Pb2 I3 Pb1 -168.21(15) . .
I1 Pb2 I3 Pb3 139.57(4) . .
I4 Pb2 I3 Pb3 46.18(4) . .
I5 Pb2 I3 Pb3 -41.12(3) . .
I2 Pb2 I3 Pb3 -129.17(4) . .
I8 Pb2 I3 Pb3 15.74(16) . .
I2 Pb1 I3 Pb2 132.56(3) 2_656 .
I2 Pb1 I3 Pb2 -47.44(3) . .
I1 Pb1 I3 Pb2 -136.77(3) 2_656 .
I1 Pb1 I3 Pb2 43.23(3) . .
I3 Pb1 I3 Pb2 -111(100) 2_656 .
I2 Pb1 I3 Pb3 140.48(8) 2_656 .
I2 Pb1 I3 Pb3 -39.52(8) . .
I1 Pb1 I3 Pb3 -128.84(8) 2_656 .
I1 Pb1 I3 Pb3 51.16(8) . .
I3 Pb1 I3 Pb3 -103(100) 2_656 .
I7 Pb3 I3 Pb2 -131.45(5) . .
I6 Pb3 I3 Pb2 124.41(5) . .
I9 Pb3 I3 Pb2 -7.41(9) . .
I5 Pb3 I3 Pb2 39.22(3) . .
I4 Pb3 I3 Pb2 -43.35(3) . .
I7 Pb3 I3 Pb1 -139.22(8) . .
I6 Pb3 I3 Pb1 116.64(8) . .
I9 Pb3 I3 Pb1 -15.18(14) . .
I5 Pb3 I3 Pb1 31.45(8) . .
I4 Pb3 I3 Pb1 -51.12(8) . .
I1 Pb2 I4 Pb4 142.47(3) . .
I3 Pb2 I4 Pb4 -128.48(4) . .
I5 Pb2 I4 Pb4 -38.38(3) . .
I2 Pb2 I4 Pb4 -98.8(2) . .
I8 Pb2 I4 Pb4 44.92(3) . .
I1 Pb2 I4 Pb3 -137.92(3) . .
I3 Pb2 I4 Pb3 -48.88(3) . .
I5 Pb2 I4 Pb3 41.23(3) . .
I2 Pb2 I4 Pb3 -19.1(2) . .
I8 Pb2 I4 Pb3 124.52(3) . .
I10 Pb4 I4 Pb2 -6.94(17) . .
I11 Pb4 I4 Pb2 -129.07(4) . .
I5 Pb4 I4 Pb2 38.26(3) . .
I8 Pb4 I4 Pb2 -45.58(4) . .
I9 Pb4 I4 Pb2 121.66(4) . .
I10 Pb4 I4 Pb3 -89.03(17) . .
I11 Pb4 I4 Pb3 148.84(4) . .
I5 Pb4 I4 Pb3 -43.83(4) . .
I8 Pb4 I4 Pb3 -127.67(4) . .
I9 Pb4 I4 Pb3 39.56(3) . .
I7 Pb3 I4 Pb2 144.11(4) . .
I6 Pb3 I4 Pb2 -15.00(15) . .
I9 Pb3 I4 Pb2 -122.68(4) . .
I5 Pb3 I4 Pb2 -39.16(3) . .
I3 Pb3 I4 Pb2 42.46(3) . .
I7 Pb3 I4 Pb4 -135.01(4) . .
I6 Pb3 I4 Pb4 65.87(15) . .
I9 Pb3 I4 Pb4 -41.81(4) . .
I5 Pb3 I4 Pb4 41.71(3) . .
I3 Pb3 I4 Pb4 123.33(4) . .
I1 Pb2 I5 Pb4 166(2) . .
I3 Pb2 I5 Pb4 125.81(4) . .
I4 Pb2 I5 Pb4 39.27(3) . .
I2 Pb2 I5 Pb4 -148.88(3) . .
I8 Pb2 I5 Pb4 -43.25(4) . .
I1 Pb2 I5 Pb3 85(2) . .
I3 Pb2 I5 Pb3 44.37(3) . .
I4 Pb2 I5 Pb3 -42.16(4) . .
I2 Pb2 I5 Pb3 129.69(4) . .
I8 Pb2 I5 Pb3 -124.69(4) . .
I10 Pb4 I5 Pb2 133.94(4) . .
I11 Pb4 I5 Pb2 72.36(16) . .
I8 Pb4 I5 Pb2 43.71(3) . .
I4 Pb4 I5 Pb2 -38.02(3) . .
I9 Pb4 I5 Pb2 -122.18(4) . .
I10 Pb4 I5 Pb3 -143.40(4) . .
I11 Pb4 I5 Pb3 155.01(15) . .
I8 Pb4 I5 Pb3 126.37(4) . .
I4 Pb4 I5 Pb3 44.63(3) . .
I9 Pb4 I5 Pb3 -39.53(3) . .
I7 Pb3 I5 Pb2 59.8(3) . .
I6 Pb3 I5 Pb2 -135.18(4) . .
I9 Pb3 I5 Pb2 123.23(3) . .
I4 Pb3 I5 Pb2 38.93(3) . .
I3 Pb3 I5 Pb2 -38.22(3) . .
I7 Pb3 I5 Pb4 -21.6(3) . .
I6 Pb3 I5 Pb4 143.36(4) . .
I9 Pb3 I5 Pb4 41.78(3) . .
I4 Pb3 I5 Pb4 -42.52(3) . .
I3 Pb3 I5 Pb4 -119.67(4) . .
I13 Pb5 I8 Pb4 139.94(3) . .
I14 Pb5 I8 Pb4 101.8(4) . .
I12 Pb5 I8 Pb4 -132.13(4) . .
I11 Pb5 I8 Pb4 43.75(4) . .
I10 Pb5 I8 Pb4 -38.41(3) . .
I13 Pb5 I8 Pb2 160.46(8) . .
I14 Pb5 I8 Pb2 122.3(4) . .
I12 Pb5 I8 Pb2 -111.61(9) . .
I11 Pb5 I8 Pb2 64.28(9) . .
I10 Pb5 I8 Pb2 -17.88(9) . .
I10 Pb4 I8 Pb5 41.43(3) . .
I11 Pb4 I8 Pb5 -45.66(3) . .
I5 Pb4 I8 Pb5 127.96(3) . .
I4 Pb4 I8 Pb5 -145.62(3) . .
I9 Pb4 I8 Pb5 173.76(9) . .
I10 Pb4 I8 Pb2 -128.99(3) . .
I11 Pb4 I8 Pb2 143.92(4) . .
I5 Pb4 I8 Pb2 -42.47(3) . .
I4 Pb4 I8 Pb2 43.96(3) . .
I9 Pb4 I8 Pb2 3.33(10) . .
I1 Pb2 I8 Pb5 -158.17(8) . .
I3 Pb2 I8 Pb5 -35.2(2) . .
I4 Pb2 I8 Pb5 -65.85(9) . .
I5 Pb2 I8 Pb5 22.35(8) . .
I2 Pb2 I8 Pb5 108.40(9) . .
I1 Pb2 I8 Pb4 -137.79(4) . .
I3 Pb2 I8 Pb4 -14.79(16) . .
I4 Pb2 I8 Pb4 -45.48(4) . .
I5 Pb2 I8 Pb4 42.73(3) . .
I2 Pb2 I8 Pb4 128.78(4) . .
I7 Pb3 I9 Pb4 131.58(5) . .
I6 Pb3 I9 Pb4 -125.00(5) . .
I5 Pb3 I9 Pb4 -40.16(3) . .
I4 Pb3 I9 Pb4 40.96(3) . .
I3 Pb3 I9 Pb4 6.00(9) . .
I10 Pb4 I9 Pb3 127.42(4) . .
I11 Pb4 I9 Pb3 -140.84(4) . .
I5 Pb4 I9 Pb3 42.69(3) . .
I8 Pb4 I9 Pb3 -3.14(10) . .
I4 Pb4 I9 Pb3 -43.49(3) . .
I11 Pb4 I10 Pb5 44.88(4) . .
I5 Pb4 I10 Pb5 -123.38(4) . .
I8 Pb4 I10 Pb5 -40.14(3) . .
I4 Pb4 I10 Pb5 -78.25(17) . .
I9 Pb4 I10 Pb5 154.71(3) . .
I13 Pb5 I10 Pb4 29.2(3) . .
I14 Pb5 I10 Pb4 -136.36(4) . .
I12 Pb5 I10 Pb4 136.01(4) . .
I8 Pb5 I10 Pb4 40.38(4) . .
I11 Pb5 I10 Pb4 -43.34(4) . .
I10 Pb4 I11 Pb5 -45.40(4) . .
I5 Pb4 I11 Pb5 16.13(17) . .
I8 Pb4 I11 Pb5 44.67(4) . .
I4 Pb4 I11 Pb5 125.01(4) . .
I9 Pb4 I11 Pb5 -148.50(3) . .
I13 Pb5 I11 Pb4 -129.49(4) . .
I14 Pb5 I11 Pb4 139.26(4) . .
I12 Pb5 I11 Pb4 33.3(5) . .
I8 Pb5 I11 Pb4 -45.03(3) . .
I10 Pb5 I11 Pb4 42.31(3) . .
I13 Pb5 I12 Pb6 -41.66(3) . .
I14 Pb5 I12 Pb6 49.27(3) . .
I8 Pb5 I12 Pb6 -126.65(4) . .
I11 Pb5 I12 Pb6 155.4(5) . .
I10 Pb5 I12 Pb6 146.53(3) . .
I17 Pb6 I12 Pb5 135.50(4) . .
I16 Pb6 I12 Pb5 -126.09(4) . .
I13 Pb6 I12 Pb5 39.58(3) . .
I15 Pb6 I12 Pb5 -56.95(13) . .
I14 Pb5 I13 Pb6 -45.83(4) . .
I12 Pb5 I13 Pb6 41.28(3) . .
I8 Pb5 I13 Pb6 137.29(4) . .
I11 Pb5 I13 Pb6 -139.95(4) . .
I10 Pb5 I13 Pb6 148.5(2) . .
I17 Pb6 I13 Pb5 -138.99(4) . .
I16 Pb6 I13 Pb5 34.64(13) . .
I12 Pb6 I13 Pb5 -40.14(4) . .
I15 Pb6 I13 Pb5 124.73(4) . .
I13 Pb5 I14 Pb7 41.35(8) . .
I12 Pb5 I14 Pb7 -47.04(8) . .
I8 Pb5 I14 Pb7 79.4(4) . .
I11 Pb5 I14 Pb7 136.98(7) . .
I10 Pb5 I14 Pb7 -140.77(7) . .
I16 Pb7 I14 Pb5 45.12(8) . .
I15 Pb7 I14 Pb5 -40.49(7) . .
I18 Pb7 I14 Pb5 -151.7(6) . .
I19 Pb7 I14 Pb5 137.65(7) . .
I20 Pb7 I14 Pb5 -135.79(7) . .
I16 Pb7 I15 Pb6 -42.55(3) . .
I18 Pb7 I15 Pb6 -138.55(4) . .
I19 Pb7 I15 Pb6 -111.2(4) . .
I20 Pb7 I15 Pb6 134.89(3) . .
I14 Pb7 I15 Pb6 44.58(4) . .
I17 Pb6 I15 Pb7 139.65(4) . .
I16 Pb6 I15 Pb7 42.16(4) . .
I12 Pb6 I15 Pb7 -28.02(13) . .
I13 Pb6 I15 Pb7 -122.88(4) . .
I15 Pb7 I16 Pb6 43.68(3) . .
I18 Pb7 I16 Pb6 133.40(4) . .
I19 Pb7 I16 Pb6 -140.54(3) . .
I20 Pb7 I16 Pb6 -67.1(7) . .
I14 Pb7 I16 Pb6 -47.58(3) . .
I17 Pb6 I16 Pb7 -136.50(4) . .
I12 Pb6 I16 Pb7 123.78(4) . .
I13 Pb6 I16 Pb7 49.89(13) . .
I15 Pb6 I16 Pb7 -42.01(3) . .
I20 Pb8 I18 Pb7 43.91(3) . .
I19 Pb8 I18 Pb7 -44.70(3) . .
I21 Pb8 I18 Pb7 -135.39(3) . .
I22 Pb8 I18 Pb7 135.22(3) . .
I23 Pb8 I18 Pb7 174.0(5) . .
I16 Pb7 I18 Pb8 136.22(4) . .
I15 Pb7 I18 Pb8 -138.12(3) . .
I19 Pb7 I18 Pb8 43.96(3) . .
I20 Pb7 I18 Pb8 -42.82(4) . .
I14 Pb7 I18 Pb8 -26.8(6) . .
I18 Pb8 I19 Pb7 43.81(3) . .
I20 Pb8 I19 Pb7 -44.53(4) . .
I21 Pb8 I19 Pb7 140.01(4) . .
I22 Pb8 I19 Pb7 38(2) . .
I23 Pb8 I19 Pb7 -138.63(3) . .
I16 Pb7 I19 Pb8 -139.19(3) . .
I15 Pb7 I19 Pb8 -70.8(4) . .
I18 Pb7 I19 Pb8 -43.38(4) . .
I20 Pb7 I19 Pb8 43.42(3) . .
I14 Pb7 I19 Pb8 133.45(4) . .
I18 Pb8 I20 Pb7 -42.84(4) . .
I19 Pb8 I20 Pb7 44.31(4) . .
I21 Pb8 I20 Pb7 128.4(4) . .
I22 Pb8 I20 Pb7 -134.83(4) . .
I23 Pb8 I20 Pb7 140.13(4) . .
I16 Pb7 I20 Pb8 -117.1(7) . .
I15 Pb7 I20 Pb8 132.27(3) . .
I18 Pb7 I20 Pb8 42.42(3) . .
I19 Pb7 I20 Pb8 -43.58(3) . .
I14 Pb7 I20 Pb8 -136.66(4) . .
I23 Pb9 I21 Pb8 -48.86(4) . .
I24 Pb9 I21 Pb8 -50.96(18) . .
I25 Pb9 I21 Pb8 -136.93(3) . .
I22 Pb9 I21 Pb8 40.90(3) . .
I18 Pb8 I21 Pb9 -131.79(4) . .
I20 Pb8 I21 Pb9 57.0(4) . .
I19 Pb8 I21 Pb9 141.01(4) . .
I22 Pb8 I21 Pb9 -39.84(4) . .
I23 Pb8 I21 Pb9 45.18(4) . .
I23 Pb9 I22 Pb8 45.09(4) . .
I24 Pb9 I22 Pb8 126.95(4) . .
I25 Pb9 I22 Pb8 100.8(6) . .
I21 Pb9 I22 Pb8 -40.42(3) . .
I18 Pb8 I22 Pb9 135.96(3) . .
I20 Pb8 I22 Pb9 -135.73(4) . .
I19 Pb8 I22 Pb9 141(2) . .
I21 Pb8 I22 Pb9 39.75(4) . .
I23 Pb8 I22 Pb9 -41.60(3) . .
I24 Pb9 I23 Pb8 -133.33(4) . .
I25 Pb9 I23 Pb8 138.75(3) . .
I21 Pb9 I23 Pb8 47.14(4) . .
I22 Pb9 I23 Pb8 -44.11(3) . .
I24 Pb9 I23 Pb10 47.62(4) . .
I25 Pb9 I23 Pb10 -40.31(3) . .
I21 Pb9 I23 Pb10 -131.92(4) . .
I22 Pb9 I23 Pb10 136.84(3) . .
I18 Pb8 I23 Pb9 4.2(5) . .
I20 Pb8 I23 Pb9 134.13(3) . .
I19 Pb8 I23 Pb9 -136.91(4) . .
I21 Pb8 I23 Pb9 -46.81(3) . .
I22 Pb8 I23 Pb9 43.13(3) . .
I18 Pb8 I23 Pb10 6.6(6) . .
I20 Pb8 I23 Pb10 136.61(10) . .
I19 Pb8 I23 Pb10 -134.44(10) . .
I21 Pb8 I23 Pb10 -44.33(10) . .
I22 Pb8 I23 Pb10 45.61(11) . .
I28 Pb10 I23 Pb9 -132.75(10) . .
I27 Pb10 I23 Pb9 124.21(5) . .
I26 Pb10 I23 Pb9 -13.29(9) . .
I25 Pb10 I23 Pb9 37.45(3) . .
I24 Pb10 I23 Pb9 -44.37(3) . .
I28 Pb10 I23 Pb8 -135.16(14) . .
I27 Pb10 I23 Pb8 121.80(11) . .
I26 Pb10 I23 Pb8 -15.70(16) . .
I25 Pb10 I23 Pb8 35.05(10) . .
I24 Pb10 I23 Pb8 -46.78(10) . .
I23 Pb9 I24 Pb11 -125.06(4) . .
I25 Pb9 I24 Pb11 -36.56(3) . .
I21 Pb9 I24 Pb11 -122.94(17) . .
I22 Pb9 I24 Pb11 144.97(4) . .
I23 Pb9 I24 Pb10 -47.41(3) . .
I25 Pb9 I24 Pb10 41.09(3) . .
I21 Pb9 I24 Pb10 -45.30(18) . .
I22 Pb9 I24 Pb10 -137.39(3) . .
I30 Pb11 I24 Pb9 -100.7(4) . .
I29 Pb11 I24 Pb9 -130.00(4) . .
I26 Pb11 I24 Pb9 122.91(5) . .
I31 Pb11 I24 Pb9 -44.99(4) 2_775 .
I25 Pb11 I24 Pb9 35.80(4) . .
I30 Pb11 I24 Pb10 175.9(4) . .
I29 Pb11 I24 Pb10 146.67(4) . .
I26 Pb11 I24 Pb10 39.58(3) . .
I31 Pb11 I24 Pb10 -128.32(4) 2_775 .
I25 Pb11 I24 Pb10 -47.53(4) . .
I28 Pb10 I24 Pb9 142.13(5) . .
I27 Pb10 I24 Pb9 -14.16(18) . .
I26 Pb10 I24 Pb9 -123.08(4) . .
I25 Pb10 I24 Pb9 -38.10(3) . .
I23 Pb10 I24 Pb9 43.28(4) . .
I28 Pb10 I24 Pb11 -134.94(6) . .
I27 Pb10 I24 Pb11 68.77(17) . .
I26 Pb10 I24 Pb11 -40.15(4) . .
I25 Pb10 I24 Pb11 44.84(4) . .
I23 Pb10 I24 Pb11 126.21(4) . .
I23 Pb9 I25 Pb11 117.81(4) . .
I24 Pb9 I25 Pb11 35.88(4) . .
I21 Pb9 I25 Pb11 -156.73(3) . .
I22 Pb9 I25 Pb11 62.1(6) . .
I23 Pb9 I25 Pb10 40.48(3) . .
I24 Pb9 I25 Pb10 -41.44(4) . .
I21 Pb9 I25 Pb10 125.94(4) . .
I22 Pb9 I25 Pb10 -15.3(6) . .
I30 Pb11 I25 Pb9 139.41(4) . .
I29 Pb11 I25 Pb9 24.04(13) . .
I24 Pb11 I25 Pb9 -35.88(4) . .
I26 Pb11 I25 Pb9 -124.40(4) . .
I31 Pb11 I25 Pb9 53.48(4) 2_775 .
I30 Pb11 I25 Pb10 -136.58(4) . .
I29 Pb11 I25 Pb10 108.06(13) . .
I24 Pb11 I25 Pb10 48.14(4) . .
I26 Pb11 I25 Pb10 -40.38(3) . .
I31 Pb11 I25 Pb10 137.49(4) 2_775 .
I28 Pb10 I25 Pb9 39.3(3) . .
I27 Pb10 I25 Pb9 -136.60(4) . .
I26 Pb10 I25 Pb9 122.78(4) . .
I23 Pb10 I25 Pb9 -36.51(3) . .
I24 Pb10 I25 Pb9 38.01(3) . .
I28 Pb10 I25 Pb11 -42.6(3) . .
I27 Pb10 I25 Pb11 141.52(4) . .
I26 Pb10 I25 Pb11 40.91(4) . .
I23 Pb10 I25 Pb11 -118.38(4) . .
I24 Pb10 I25 Pb11 -43.87(3) . .
I28 Pb10 I26 Pb11 129.49(10) . .
I27 Pb10 I26 Pb11 -128.15(5) . .
I25 Pb10 I26 Pb11 -40.55(3) . .
I23 Pb10 I26 Pb11 9.22(8) . .
I24 Pb10 I26 Pb11 38.98(3) . .
I30 Pb11 I26 Pb10 141.57(4) . .
I29 Pb11 I26 Pb10 -127.58(4) . .
I24 Pb11 I26 Pb10 -43.14(3) . .
I31 Pb11 I26 Pb10 33.7(2) 2_775 .
I25 Pb11 I26 Pb10 43.53(4) . .
I30 Pb11 I29 Pb12 -40.94(4) . .
I24 Pb11 I29 Pb12 135.75(4) . .
I26 Pb11 I29 Pb12 -137.46(3) . .
I31 Pb11 I29 Pb12 46.51(4) 2_775 .
I25 Pb11 I29 Pb12 75.65(13) . .
I29 Pb12 I29 Pb11 27(100) 2_775 .
I30 Pb12 I29 Pb11 -139.44(4) 2_775 .
I30 Pb12 I29 Pb11 40.56(4) . .
I31 Pb12 I29 Pb11 -46.10(4) 2_775 .
I31 Pb12 I29 Pb11 133.90(4) . .
I29 Pb11 I30 Pb12 40.91(4) . .
I24 Pb11 I30 Pb12 11.7(4) . .
I26 Pb11 I30 Pb12 147.77(3) . .
I31 Pb11 I30 Pb12 -44.07(4) 2_775 .
I25 Pb11 I30 Pb12 -124.30(4) . .
I29 Pb12 I30 Pb11 139.39(4) 2_775 .
I29 Pb12 I30 Pb11 -40.61(4) . .
I30 Pb12 I30 Pb11 -18(100) 2_775 .
I31 Pb12 I30 Pb11 43.66(4) 2_775 .
I31 Pb12 I30 Pb11 -136.34(4) . .
I29 Pb12 I31 Pb11 -45.44(4) 2_775 2_775
I29 Pb12 I31 Pb11 134.56(4) . 2_775
I30 Pb12 I31 Pb11 43.00(4) 2_775 2_775
I30 Pb12 I31 Pb11 -137.00(4) . 2_775
I31 Pb12 I31 Pb11 -145(100) 2_775 2_775
O2 Pr1 O1 C1 -128.7(14) . .
O5 Pr1 O1 C1 -41.8(13) . .
O7 Pr1 O1 C1 89.8(15) . .
O3 Pr1 O1 C1 132.1(14) . .
O8 Pr1 O1 C1 -85.2(14) . .
O4 Pr1 O1 C1 48.7(13) . .
O9 Pr1 O1 C1 -178.0(13) . .
O6 Pr1 O1 C1 0.7(15) . .
O5 Pr1 O2 C4 -51(2) . .
O7 Pr1 O2 C4 158(2) . .
O3 Pr1 O2 C4 85(2) . .
O8 Pr1 O2 C4 -132(2) . .
O4 Pr1 O2 C4 14(3) . .
O9 Pr1 O2 C4 154(3) . .
O6 Pr1 O2 C4 -93(2) . .
O1 Pr1 O2 C4 18(2) . .
O2 Pr1 O3 C7 -145.8(13) . .
O5 Pr1 O3 C7 -70.5(14) . .
O7 Pr1 O3 C7 74.0(13) . .
O8 Pr1 O3 C7 144.1(12) . .
O4 Pr1 O3 C7 -5.8(13) . .
O9 Pr1 O3 C7 145.5(14) . .
O6 Pr1 O3 C7 32.4(15) . .
O1 Pr1 O3 C7 -78.6(13) . .
O2 Pr1 O4 C10 -172.2(10) . .
O5 Pr1 O4 C10 -107.8(11) . .
O7 Pr1 O4 C10 30.9(11) . .
O3 Pr1 O4 C10 111.8(11) . .
O8 Pr1 O4 C10 -41.7(12) . .
O9 Pr1 O4 C10 70.4(13) . .
O6 Pr1 O4 C10 -40.3(10) . .
O1 Pr1 O4 C10 -175.8(11) . .
O2 Pr1 O5 C13 -100.3(16) . .
O7 Pr1 O5 C13 52.6(17) . .
O3 Pr1 O5 C13 179.9(14) . .
O8 Pr1 O5 C13 -21.6(15) . .
O4 Pr1 O5 C13 117.1(15) . .
O9 Pr1 O5 C13 -60.9(18) . .
O6 Pr1 O5 C13 48.1(15) . .
O1 Pr1 O5 C13 -171.9(16) . .
O2 Pr1 O6 C16 -93(2) . .
O5 Pr1 O6 C16 -139(2) . .
O7 Pr1 O6 C16 45(2) . .
O3 Pr1 O6 C16 89(2) . .
O8 Pr1 O6 C16 -51(2) . .
O4 Pr1 O6 C16 130(2) . .
O9 Pr1 O6 C16 -3(2) . .
O1 Pr1 O6 C16 179(2) . .
O2 Pr1 O7 C19 -34(2) . .
O5 Pr1 O7 C19 -171.3(18) . .
O3 Pr1 O7 C19 43.2(19) . .
O8 Pr1 O7 C19 -100.3(19) . .
O4 Pr1 O7 C19 122(2) . .
O9 Pr1 O7 C19 -30.0(19) . .
O6 Pr1 O7 C19 -167(2) . .
O1 Pr1 O7 C19 83(2) . .
O2 Pr1 O8 C22 -14.8(14) . .
O5 Pr1 O8 C22 -96.3(14) . .
O7 Pr1 O8 C22 127.3(14) . .
O3 Pr1 O8 C22 59.9(16) . .
O4 Pr1 O8 C22 -163.7(12) . .
O9 Pr1 O8 C22 58.5(14) . .
O6 Pr1 O8 C22 -165.2(15) . .
O1 Pr1 O8 C22 -56.1(16) . .
O2 Pr1 O9 C25B -98(3) . .
O5 Pr1 O9 C25B -140(3) . .
O7 Pr1 O9 C25B 85(3) . .
O3 Pr1 O9 C25B 0(3) . .
O8 Pr1 O9 C25B 179(3) . .
O4 Pr1 O9 C25B 43(4) . .
O6 Pr1 O9 C25B 132(3) . .
O1 Pr1 O9 C25B -49(3) . .
O2 Pr1 O9 C25A -34(3) . .
O5 Pr1 O9 C25A -75(3) . .
O7 Pr1 O9 C25A 150(3) . .
O3 Pr1 O9 C25A 65(3) . .
O8 Pr1 O9 C25A -116(3) . .
O4 Pr1 O9 C25A 108(3) . .
O6 Pr1 O9 C25A -163(3) . .
O1 Pr1 O9 C25A 15(3) . .
O17 Pr2 O10 C28 -100.8(15) . .
O15 Pr2 O10 C28 123.8(15) . .
O11 Pr2 O10 C28 -173.2(13) . .
O12 Pr2 O10 C28 54.9(16) . .
O18 Pr2 O10 C28 -16.9(15) . .
O13 Pr2 O10 C28 -57.9(16) . .
O16 Pr2 O10 C28 -168.8(15) . .
O14 Pr2 O10 C28 53.5(15) . .
O17 Pr2 O11 C31 -89.8(14) . .
O15 Pr2 O11 C31 46.7(14) . .
O12 Pr2 O11 C31 128.5(14) . .
O18 Pr2 O11 C31 -161.4(13) . .
O10 Pr2 O11 C31 -20.0(16) . .
O13 Pr2 O11 C31 -159.1(15) . .
O16 Pr2 O11 C31 -24.5(13) . .
O14 Pr2 O11 C31 88.6(15) . .
O17 Pr2 O12 C34 -66.0(15) . .
O15 Pr2 O12 C34 80.2(14) . .
O11 Pr2 O12 C34 2.9(13) . .
O18 Pr2 O12 C34 -141.0(13) . .
O10 Pr2 O12 C34 151.5(12) . .
O13 Pr2 O12 C34 -70.7(13) . .
O16 Pr2 O12 C34 40.4(15) . .
O14 Pr2 O12 C34 153.0(15) . .
O17 Pr2 O13 C37 -21.7(15) . .
O15 Pr2 O13 C37 110.2(16) . .
O11 Pr2 O13 C37 71.8(15) . .
O12 Pr2 O13 C37 155.0(16) . .
O18 Pr2 O13 C37 -109.8(16) . .
O10 Pr2 O13 C37 -67.4(17) . .
O16 Pr2 O13 C37 22.7(16) . .
O14 Pr2 O13 C37 -158.0(15) . .
O17 Pr2 O14 C40 -151(3) . .
O15 Pr2 O14 C40 75(3) . .
O11 Pr2 O14 C40 31(3) . .
O12 Pr2 O14 C40 -11(3) . .
O18 Pr2 O14 C40 -109(3) . .
O10 Pr2 O14 C40 168(3) . .
O13 Pr2 O14 C40 -59(3) . .
O16 Pr2 O14 C40 120(3) . .
O17 Pr2 O15 C43 -175(4) . .
O11 Pr2 O15 C43 115(4) . .
O12 Pr2 O15 C43 36(4) . .
O18 Pr2 O15 C43 -39(4) . .
O10 Pr2 O15 C43 -104(4) . .
O13 Pr2 O15 C43 78(4) . .
O16 Pr2 O15 C43 -173(4) . .
O14 Pr2 O15 C43 -34(4) . .
O17 Pr2 O16 C46 -77(3) . .
O15 Pr2 O16 C46 104(3) . .
O11 Pr2 O16 C46 -173(3) . .
O12 Pr2 O16 C46 147(3) . .
O18 Pr2 O16 C46 -31(3) . .
O10 Pr2 O16 C46 10(3) . .
O13 Pr2 O16 C46 -123(3) . .
O14 Pr2 O16 C46 58(3) . .
O15 Pr2 O17 C49 58(3) . .
O11 Pr2 O17 C49 124(2) . .
O12 Pr2 O17 C49 -170(2) . .
O18 Pr2 O17 C49 -93(2) . .
O10 Pr2 O17 C49 -15(2) . .
O13 Pr2 O17 C49 -165(3) . .
O16 Pr2 O17 C49 57(2) . .
O14 Pr2 O17 C49 -54(3) . .
O17 Pr2 O18 C52 -39(3) . .
O15 Pr2 O18 C52 173(2) . .
O11 Pr2 O18 C52 35(3) . .
O12 Pr2 O18 C52 101(3) . .
O10 Pr2 O18 C52 -119(3) . .
O13 Pr2 O18 C52 32(3) . .
O16 Pr2 O18 C52 -80(3) . .
O14 Pr2 O18 C52 167(3) . .
O25 Pr3 O19 C55 71(3) . .
O21 Pr3 O19 C55 -70(3) . .
O26 Pr3 O19 C55 -143(3) . .
O23 Pr3 O19 C55 168(3) . .
O24 Pr3 O19 C55 141(3) . .
O22 Pr3 O19 C55 -17(3) . .
O20 Pr3 O19 C55 2(3) . .
O25 Pr3 O20 C58 121.8(15) . .
O19 Pr3 O20 C58 -132.2(16) . .
O21 Pr3 O20 C58 -35.6(15) . .
O26 Pr3 O20 C58 -81.4(16) . .
O23 Pr3 O20 C58 61.8(18) . .
O24 Pr3 O20 C58 174.9(14) . .
O22 Pr3 O20 C58 36.1(14) . .
O25 Pr3 O21 C61 -151(3) . .
O19 Pr3 O21 C61 -46(3) . .
O26 Pr3 O21 C61 31(3) . .
O23 Pr3 O21 C61 102(3) . .
O24 Pr3 O21 C61 17(3) . .
O22 Pr3 O21 C61 165(3) . .
O20 Pr3 O21 C61 -116(3) . .
O25 Pr3 O22 C64 105.0(15) . .
O19 Pr3 O22 C64 -161.1(13) . .
O21 Pr3 O22 C64 -101.6(15) . .
O26 Pr3 O22 C64 -48.3(15) . .
O23 Pr3 O22 C64 15.5(14) . .
O24 Pr3 O22 C64 52.1(17) . .
O20 Pr3 O22 C64 -179.9(15) . .
O25 Pr3 O23 C67 46.7(17) . .
O19 Pr3 O23 C67 -55(2) . .
O21 Pr3 O23 C67 -171.1(17) . .
O26 Pr3 O23 C67 -103.5(17) . .
O24 Pr3 O23 C67 -26.7(17) . .
O22 Pr3 O23 C67 128.7(18) . .
O20 Pr3 O23 C67 102.9(17) . .
O25 Pr3 O24 C70 77(2) . .
O19 Pr3 O24 C70 -28(2) . .
O21 Pr3 O24 C70 -95(3) . .
O26 Pr3 O24 C70 -109(2) . .
O23 Pr3 O24 C70 169(3) . .
O22 Pr3 O24 C70 133(2) . .
O20 Pr3 O24 C70 24(3) . .
O19 Pr3 O25 C73 110(9) . .
O21 Pr3 O25 C73 -147(9) . .
O26 Pr3 O25 C73 29(10) . .
O23 Pr3 O25 C73 -33(9) . .
O24 Pr3 O25 C73 40(9) . .
O22 Pr3 O25 C73 -107(9) . .
O20 Pr3 O25 C73 178(9) . .
O25 Pr3 O26 C76 72(2) . .
O19 Pr3 O26 C76 -16.2(18) . .
O21 Pr3 O26 C76 -110.9(19) . .
O23 Pr3 O26 C76 136.2(19) . .
O24 Pr3 O26 C76 61.1(19) . .
O22 Pr3 O26 C76 -162.0(18) . .
O20 Pr3 O26 C76 -65(2) . .
Pr1 O1 C1 N1 149.7(14) . .
C3 N1 C1 O1 177.3(17) . .
C2 N1 C1 O1 1(3) . .
Pr1 O2 C4 N2 -89(3) . .
C5 N2 C4 O2 7(3) . .
C6 N2 C4 O2 -175.7(18) . .
Pr1 O3 C7 N3 167.8(10) . .
C8 N3 C7 O3 3(2) . .
C9 N3 C7 O3 176.5(14) . .
Pr1 O4 C10 N4 145.6(12) . .
C11 N4 C10 O4 -1(2) . .
C12 N4 C10 O4 176.4(14) . .
Pr1 O5 C13 N5 -147.7(14) . .
C14 N5 C13 O5 -174.1(17) . .
C15 N5 C13 O5 -1(3) . .
Pr1 O6 C16 N6 166.6(18) . .
C17 N6 C16 O6 179(3) . .
C18 N6 C16 O6 17(4) . .
Pr1 O7 C19 N7 112(3) . .
C21 N7 C19 O7 175(2) . .
C20 N7 C19 O7 2(3) . .
Pr1 O8 C22 N8 -174.0(11) . .
C23 N8 C22 O8 1(3) . .
C24 N8 C22 O8 -176.6(16) . .
Pr1 O9 C25A C25B -129(4) . .
C25B O9 C25A N9 -19(4) . .
Pr1 O9 C25A N9 -147(4) . .
C25B O9 C25A C26B -95(5) . .
Pr1 O9 C25A C26B 136(3) . .
C27B N9 C25A C25B 33(13) . .
C26A N9 C25A C25B -153(5) . .
C26B N9 C25A C25B -154(5) . .
C27A N9 C25A C25B -13(6) . .
C25B N9 C25A O9 18(4) . .
C27B N9 C25A O9 51(15) . .
C26A N9 C25A O9 -135(5) . .
C26B N9 C25A O9 -136(6) . .
C27A N9 C25A O9 5(6) . .
C25B N9 C25A C26B 154(5) . .
C27B N9 C25A C26B -173(12) . .
C26A N9 C25A C26B 0(4) . .
C27A N9 C25A C26B 141(4) . .
N9 C25A C25B O9 164(4) . .
C26B C25A C25B O9 141(5) . .
O9 C25A C25B N9 -164(4) . .
C26B C25A C25B N9 -23(4) . .
O9 C25A C25B C27A -150(7) . .
N9 C25A C25B C27A 14(6) . .
C26B C25A C25B C27A -8(9) . .
Pr1 O9 C25B C25A 95(4) . .
C25A O9 C25B N9 19(4) . .
Pr1 O9 C25B N9 114(5) . .
C25A O9 C25B C27A 121(7) . .
Pr1 O9 C25B C27A -144(5) . .
C27B N9 C25B C25A -170(5) . .
C26A N9 C25B C25A 70(9) . .
C26B N9 C25B C25A 31(6) . .
C27A N9 C25B C25A 167(6) . .
C25A N9 C25B O9 -19(4) . .
C27B N9 C25B O9 171(5) . .
C26A N9 C25B O9 52(11) . .
C26B N9 C25B O9 12(9) . .
C27A N9 C25B O9 148(7) . .
C25A N9 C25B C27A -167(6) . .
C27B N9 C25B C27A 23(4) . .
C26A N9 C25B C27A -96(6) . .
C26B N9 C25B C27A -136(4) . .
C25A N9 C26A C26B -1(6) . .
C25B N9 C26A C26B -55(8) . .
C27B N9 C26A C26B 177(6) . .
C27A N9 C26A C26B -141(5) . .
C25A N9 C26A C27B -178(4) . .
C25B N9 C26A C27B 128(7) . .
C26B N9 C26A C27B -177(6) . .
C27A N9 C26A C27B 41(4) . .
C27B C26A C26B N9 2(5) . .
N9 C26A C26B C25A 0(4) . .
C27B C26A C26B C25A 3(9) . .
C25A N9 C26B C26A 179(5) . .
C25B N9 C26B C26A 157(5) . .
C27B N9 C26B C26A -3(6) . .
C27A N9 C26B C26A 64(6) . .
C25B N9 C26B C25A -22(5) . .
C27B N9 C26B C25A 178(4) . .
C26A N9 C26B C25A -179(5) . .
C27A N9 C26B C25A -115(4) . .
C25B C25A C26B C26A 26(9) . .
O9 C25A C26B C26A 103(7) . .
N9 C25A C26B C26A -1(6) . .
C25B C25A C26B N9 26(5) . .
O9 C25A C26B N9 104(4) . .
C25A N9 C27A C27B 165(4) . .
C25B N9 C27A C27B 155(4) . .
C26A N9 C27A C27B -51(4) . .
C26B N9 C27A C27B -92(4) . .
C25A N9 C27A C25B 10(4) . .
C27B N9 C27A C25B -155(4) . .
C26A N9 C27A C25B 154(4) . .
C26B N9 C27A C25B 114(4) . .
C25A C25B C27A C27B -38(9) . .
O9 C25B C27A C27B -143(5) . .
N9 C25B C27A C27B -23(3) . .
C25A C25B C27A N9 -15(6) . .
O9 C25B C27A N9 -120(6) . .
C25B C27A C27B N9 20(3) . .
N9 C27A C27B C26A 37(2) . .
C25B C27A C27B C26A 57(4) . .
C25A N9 C27B C27A -53(12) . .
C25B N9 C27B C27A -27(5) . .
C26A N9 C27B C27A 132(4) . .
C26B N9 C27B C27A 134(4) . .
C25A N9 C27B C26A 175(11) . .
C25B N9 C27B C26A -159(4) . .
C26B N9 C27B C26A 2(4) . .
C27A N9 C27B C26A -132(4) . .
C26B C26A C27B C27A -46(8) . .
N9 C26A C27B C27A -44(2) . .
C26B C26A C27B N9 -3(6) . .
Pr2 O10 C28 N10 -174.2(11) . .
C30 N10 C28 O10 -177.1(17) . .
C29 N10 C28 O10 -2(3) . .
Pr2 O11 C31 N11 152.1(12) . .
C33 N11 C31 O11 177.9(15) . .
C32 N11 C31 O11 4(3) . .
Pr2 O12 C34 N12 165.7(11) . .
C35 N12 C34 O12 0(3) . .
C36 N12 C34 O12 176.4(14) . .
Pr2 O13 C37 N13 174.3(12) . .
C38 N13 C37 O13 -179.3(17) . .
C39 N13 C37 O13 2(3) . .
Pr2 O14 C40 N14 151(3) . .
C41 N14 C40 O14 -20(5) . .
C42B N14 C40 O14 141(4) . .
C42A N14 C40 O14 -170(4) . .
C40 N14 C42A C42B -105(3) . .
C41 N14 C42A C42B 105(3) . .
C40 N14 C42B C42A 105(3) . .
C41 N14 C42B C42A -95(3) . .
Pr2 O15 C43 N15 133(3) . .
C44 N15 C43 O15 178(2) . .
C45 N15 C43 O15 2(3) . .
Pr2 O16 C46 N16 180(2) . .
C47 N16 C46 O16 -174(3) . .
C48B N16 C46 O16 14(7) . .
C48A N16 C46 O16 -19(7) . .
C46 N16 C48A C48B 106(4) . .
C47 N16 C48A C48B -98(4) . .
C46 N16 C48B C48A -93(5) . .
C47 N16 C48B C48A 94(4) . .
Pr2 O17 C49 N17 -123(2) . .
C51 N17 C49 O17 -3(3) . .
C50 N17 C49 O17 -175(2) . .
Pr2 O18 C52 N18 -117(3) . .
C53 N18 C52 O18 -174(2) . .
C54 N18 C52 O18 4(4) . .
Pr3 O19 C55 N19 -68(4) . .
C56 N19 C55 O19 -175.5(18) . .
C57 N19 C55 O19 -1(3) . .
Pr3 O20 C58 N20 160.5(12) . .
C59 N20 C58 O20 2(3) . .
C60 N20 C58 O20 177.7(18) . .
Pr3 O21 C61 N21 -176.8(15) . .
C62B N21 C61 O21 30(4) . .
C63 N21 C61 O21 180(2) . .
C62A N21 C61 O21 -36(4) . .
C61 N21 C62A C62B 96(3) . .
C63 N21 C62A C62B -113(3) . .
C61 N21 C62B C62A -116(3) . .
C63 N21 C62B C62A 92(3) . .
Pr3 O22 C64 N22 162.4(10) . .
C65 N22 C64 O22 0(2) . .
C66 N22 C64 O22 178.3(14) . .
Pr3 O23 C67 N23 126(2) . .
C69 N23 C67 O23 175.0(19) . .
C68 N23 C67 O23 -8(3) . .
Pr3 O24 C70 N24 -152.1(18) . .
C71 N24 C70 O24 178(2) . .
C72A N24 C70 O24 -8(4) . .
C72B N24 C70 O24 36(4) . .
C70 N24 C72A C72B 93(3) . .
C71 N24 C72A C72B -92(3) . .
C70 N24 C72B C72A -109(3) . .
C71 N24 C72B C72A 105(2) . .
Pr3 O25 C73 N25 92(9) . .
C75 N25 C73 O25 1(3) . .
C74 N25 C73 O25 -178(2) . .
Pr3 O26 C76 N26 178.2(13) . .
C78 N26 C76 O26 1(3) . .
C77 N26 C76 O26 -176.1(18) . .
