#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:31:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179451 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/48/4334826.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_4334826
loop_
_publ_author_name
'Muhammad Adil Mansoor'
'Azhani Ismail'
'Rosiyah Yahya'
'Zainudin Arifin'
'Edward R. T. Tiekink'
'Ng Seik Weng'
'Muhammad Mazhar'
'Ali Reza Esmaeili'
_publ_contact_author_address
;
Department of Chemistry,
University of Malaya,
Kuala Lumpur 50603, Malaysia
;
_publ_contact_author_email
;
Edward.Tiekink@gmail.com
;
_publ_contact_author_fax         ' +60 3 7967 4193 '
_publ_contact_author_name        ' Edward RT Tiekink '
_publ_contact_author_phone       ' +60 3 7967 6775 '
_publ_section_title
;
 Perovskite-Structured PbTiO3 Thin Films Grown from a Single-Source
 Precursor
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5624
_journal_page_last               5626
_journal_paper_doi               10.1021/ic302772b
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C40 H48 F24 O24 Pb2 Ti2'
_chemical_formula_sum            'C40 H48 F24 O24 Pb2 Ti2'
_chemical_formula_weight         1878.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                101.583(2)
_cell_angle_beta                 93.234(2)
_cell_angle_gamma                118.803(3)
_cell_formula_units_Z            2
_cell_length_a                   12.8283(4)
_cell_length_b                   12.8833(3)
_cell_length_c                   21.4442(4)
_cell_measurement_reflns_used    23816
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4998
_cell_measurement_theta_min      2.2334
_cell_volume                     2993.57(17)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997), QMol (Gans & Shalloway, 2001)
 and DIAMOND (Brandenburg, 2006)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            48414
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.015
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis PRO (Agilent, 2012)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.918
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1023
_refine_ls_number_reflns         13815
_refine_ls_number_restraints     566
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0428
_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)+(0.0509P)²+16.4106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                11477
_reflns_number_total             13815
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic302772b_si_002.cif
_cod_data_source_block           PbTi
_cod_original_cell_volume        2993.57(13)
_cod_database_code               4334826
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 1.17692(2) 0.63415(2) 0.551246(11) 0.03219(8) Uani 1 1 d . . .
Pb2 Pb 0.45539(8) 0.36701(16) 0.05217(14) 0.0247(3) Uani 0.762(13) 1 d P . 1
Pb2' Pb 0.4658(5) 0.3494(5) 0.0319(7) 0.0377(12) Uani 0.238(13) 1 d PU . 2
Ti1 Ti 1.11823(10) 0.40174(10) 0.38843(5) 0.0296(2) Uani 1 1 d . . .
Ti2 Ti 0.77386(9) 0.66494(9) 0.08933(5) 0.0276(2) Uani 1 1 d . . .
F1 F 1.4519(11) 0.4422(11) 0.5620(8) 0.072(5) Uani 0.50(2) 1 d PDU A 3
F2 F 1.2796(11) 0.2800(13) 0.5607(8) 0.066(4) Uani 0.50(2) 1 d PDU A 3
F3 F 1.3615(16) 0.2881(15) 0.4749(4) 0.066(4) Uani 0.50(2) 1 d PDU A 3
F4 F 1.4980(10) 0.8583(9) 0.4272(4) 0.087(3) Uani 0.84(3) 1 d PDU B 3
F5 F 1.3511(7) 0.7855(10) 0.3445(5) 0.082(3) Uani 0.84(3) 1 d PDU B 3
F6 F 1.4697(11) 0.7094(8) 0.3466(7) 0.084(3) Uani 0.84(3) 1 d PDU B 3
F7 F 1.2589(6) 1.0582(7) 0.6541(5) 0.092(3) Uani 0.728(13) 1 d PDU C 3
F8 F 1.0925(9) 1.0094(7) 0.5935(4) 0.092(3) Uani 0.728(13) 1 d PDU C 3
F9 F 1.0993(10) 1.0215(7) 0.6970(4) 0.094(4) Uani 0.728(13) 1 d PDU C 3
F10 F 1.0133(8) 0.4574(7) 0.7647(5) 0.093(4) Uani 0.632(14) 1 d PDU D 3
F11 F 1.2020(6) 0.5979(10) 0.7857(5) 0.057(3) Uani 0.632(14) 1 d PDU D 3
F12 F 1.0648(10) 0.6448(10) 0.8119(4) 0.074(3) Uani 0.632(14) 1 d PDU D 3
F13 F 0.9527(4) 0.4328(4) 0.0631(2) 0.0600(13) Uani 1 1 d DU . .
F14 F 0.7925(4) 0.2552(4) 0.0485(3) 0.0661(14) Uani 1 1 d DU . .
F15 F 0.8397(5) 0.3385(5) -0.0315(2) 0.0727(15) Uani 1 1 d DU . .
F16 F 0.8019(4) 0.6427(6) 0.2975(3) 0.0895(19) Uani 1 1 d DU . .
F17 F 0.6374(7) 0.6518(7) 0.2952(3) 0.116(3) Uani 1 1 d DU . .
F18 F 0.6342(5) 0.4807(5) 0.2924(3) 0.093(2) Uani 1 1 d DU . .
F19 F 0.2736(5) -0.0594(5) -0.1137(3) 0.0744(15) Uani 1 1 d DU . .
F20 F 0.1450(4) -0.0527(4) -0.1794(3) 0.0646(13) Uani 1 1 d DU . .
F21 F 0.3319(5) 0.0313(5) -0.1910(3) 0.0742(16) Uani 1 1 d DU . .
F22 F -0.0818(3) 0.1111(4) 0.00352(19) 0.0490(10) Uani 1 1 d DU . .
F23 F 0.0089(4) 0.0604(4) 0.0688(2) 0.0456(10) Uani 1 1 d DU . .
F24 F 0.0133(4) 0.2335(4) 0.09796(19) 0.0504(11) Uani 1 1 d DU . .
F1' F 1.4211(12) 0.4236(13) 0.5819(5) 0.059(4) Uani 0.50(2) 1 d PDU A 4
F2' F 1.2732(11) 0.2444(9) 0.5259(11) 0.089(5) Uani 0.50(2) 1 d PDU A 4
F3' F 1.4221(13) 0.3616(18) 0.4809(5) 0.071(5) Uani 0.50(2) 1 d PDU A 4
F4' F 1.470(3) 0.8739(17) 0.4206(17) 0.039(10) Uani 0.16(3) 1 d PDU B 4
F5' F 1.356(3) 0.749(4) 0.3275(12) 0.082(16) Uani 0.16(3) 1 d PDU B 4
F6' F 1.497(2) 0.722(3) 0.374(2) 0.042(10) Uani 0.16(3) 1 d PDU B 4
F7' F 1.2077(18) 1.0502(16) 0.6055(9) 0.077(7) Uani 0.272(13) 1 d PDU C 4
F8' F 1.0379(12) 1.0041(17) 0.6412(11) 0.076(7) Uani 0.272(13) 1 d PDU C 4
F9' F 1.1955(18) 1.0398(17) 0.7060(6) 0.069(6) Uani 0.272(13) 1 d PDU C 4
F10' F 1.1703(13) 0.5430(15) 0.7782(10) 0.061(5) Uani 0.368(14) 1 d PDU D 4
F11' F 1.1647(16) 0.7123(9) 0.7985(8) 0.093(6) Uani 0.368(14) 1 d PDU D 4
F12' F 1.0018(10) 0.5414(18) 0.7963(8) 0.081(6) Uani 0.368(14) 1 d PDU D 4
O1 O 1.2556(5) 0.4797(5) 0.5494(2) 0.0430(11) Uani 1 1 d . . .
O2 O 1.2424(4) 0.3933(4) 0.4446(2) 0.0359(10) Uani 1 1 d . . .
O3 O 1.3408(5) 0.6906(5) 0.4767(3) 0.0576(15) Uani 1 1 d . . .
O4 O 1.2471(4) 0.5641(4) 0.3782(2) 0.0398(11) Uani 1 1 d . . .
O5 O 1.1749(5) 0.8236(4) 0.6209(3) 0.0511(13) Uani 1 1 d . . .
O6 O 0.9848(4) 0.7811(4) 0.6250(2) 0.0383(10) Uani 1 1 d . . .
O7 O 0.9858(4) 0.6098(4) 0.6886(2) 0.0379(10) Uani 1 1 d . . .
O8 O 1.1400(4) 0.5835(5) 0.6620(2) 0.0434(11) Uani 1 1 d . . .
O9 O 1.0569(4) 0.4497(4) 0.4461(2) 0.0318(9) Uani 1 1 d . . .
O10 O 1.1522(5) 0.7577(5) 0.4723(3) 0.0717(19) Uani 1 1 d D . .
O11 O 1.3795(4) 0.7756(5) 0.6229(3) 0.0520(14) Uani 1 1 d D . .
O12 O 1.1983(4) 0.3376(4) 0.31075(18) 0.0353(10) Uani 1 1 d D . .
O13 O 0.6506(4) 0.3520(4) 0.0298(3) 0.0532(14) Uani 1 1 d . . .
O14 O 0.8185(4) 0.5338(4) 0.0743(2) 0.0326(9) Uani 1 1 d . . .
O15 O 0.5757(4) 0.4535(5) 0.1676(3) 0.0483(13) Uani 1 1 d . . .
O16 O 0.7361(4) 0.6363(5) 0.1764(2) 0.0418(11) Uani 1 1 d . . .
O17 O 0.3759(5) 0.1815(5) -0.0579(3) 0.0497(13) Uani 1 1 d . . .
O18 O 0.2221(4) 0.1750(4) -0.1186(2) 0.0367(10) Uani 1 1 d . . .
O19 O 0.1243(4) 0.2649(4) -0.0243(2) 0.0321(9) Uani 1 1 d . . .
O20 O 0.2251(4) 0.2257(4) 0.0480(2) 0.0386(10) Uani 1 1 d . . .
O21 O 0.6351(4) 0.5828(4) 0.0448(3) 0.0407(12) Uani 1 1 d . . .
O22 O 0.4357(5) 0.1869(5) 0.0927(4) 0.078(2) Uani 1 1 d D . .
O23 O 0.3827(4) 0.5163(4) 0.1193(3) 0.0565(14) Uani 1 1 d D . .
O24 O 0.9571(3) 0.7717(4) 0.15133(19) 0.0303(9) Uani 1 1 d D . .
C1 C 1.2752(6) 0.4180(6) 0.5054(3) 0.0353(14) Uani 1 1 d D A .
C2 C 1.3457(6) 0.3584(6) 0.5244(3) 0.0496(19) Uani 1 1 d D . .
C3 C 1.3259(6) 0.6630(6) 0.4176(4) 0.0435(16) Uani 1 1 d D B .
C4 C 1.4130(6) 0.7560(6) 0.3843(3) 0.067(3) Uani 1 1 d D . .
C5 C 1.0965(6) 0.8511(6) 0.6275(3) 0.0397(15) Uani 1 1 d D C .
C6 C 1.1362(6) 0.9872(6) 0.6439(3) 0.054(2) Uani 1 1 d D . .
C7 C 1.0756(6) 0.5946(6) 0.6989(3) 0.0333(13) Uani 1 1 d D D .
C8 C 1.0956(6) 0.5840(7) 0.7671(3) 0.063(3) Uani 1 1 d D . .
C9 C 1.2297(14) 0.8885(11) 0.4697(14) 0.051(4) Uani 0.50 1 d PDU E 3
H9A H 1.2907 0.8952 0.4420 0.061 Uiso 0.50 1 calc PR E 3
H9B H 1.2725 0.9420 0.5137 0.061 Uiso 0.50 1 calc PR E 3
C10 C 1.146(2) 0.9264(19) 0.442(2) 0.062(3) Uani 0.50 1 d PDU E 3
H10A H 1.1591 0.9365 0.3978 0.075 Uiso 0.50 1 calc PR E 3
H10B H 1.1601 1.0050 0.4695 0.075 Uiso 0.50 1 calc PR E 3
C11 C 1.0171(18) 0.824(2) 0.4392(13) 0.076(6) Uani 0.50 1 d PDU E 3
H11A H 0.9848 0.8446 0.4777 0.091 Uiso 0.50 1 calc PR E 3
H11B H 0.9631 0.8108 0.3999 0.091 Uiso 0.50 1 calc PR E 3
C12 C 1.0267(9) 0.7112(14) 0.4378(8) 0.047(4) Uani 0.50 1 d PDU E 3
H12A H 0.9656 0.6571 0.4602 0.056 Uiso 0.50 1 calc PR E 3
H12B H 1.0140 0.6644 0.3927 0.056 Uiso 0.50 1 calc PR E 3
C13 C 1.4616(10) 0.7377(11) 0.6497(10) 0.065(4) Uani 0.50 1 d PDU E 3
H13A H 1.4575 0.6682 0.6177 0.078 Uiso 0.50 1 calc PR E 3
H13B H 1.4372 0.7112 0.6893 0.078 Uiso 0.50 1 calc PR E 3
C14 C 1.5893(9) 0.8468(14) 0.6654(11) 0.076(4) Uani 0.50 1 d PDU E 3
H14A H 1.6385 0.8337 0.6342 0.091 Uiso 0.50 1 calc PR E 3
H14B H 1.6285 0.8595 0.7095 0.091 Uiso 0.50 1 calc PR E 3
C15 C 1.5768(11) 0.9574(10) 0.6606(9) 0.064(3) Uani 0.50 1 d PDU E 3
H15A H 1.5792 1.0038 0.7040 0.077 Uiso 0.50 1 calc PR E 3
H15B H 1.6431 1.0130 0.6413 0.077 Uiso 0.50 1 calc PR E 3
C16 C 1.4556(11) 0.9053(10) 0.6178(9) 0.068(3) Uani 0.50 1 d PDU E 3
H16A H 1.4171 0.9542 0.6327 0.081 Uiso 0.50 1 calc PR E 3
H16B H 1.4658 0.9061 0.5724 0.081 Uiso 0.50 1 calc PR E 3
C17 C 1.1343(12) 0.2631(16) 0.2442(6) 0.038(4) Uani 0.50 1 d PDU F 3
H17A H 1.1060 0.3078 0.2220 0.045 Uiso 0.50 1 calc PR F 3
H17B H 1.0631 0.1845 0.2453 0.045 Uiso 0.50 1 calc PR F 3
C18 C 1.2219(19) 0.239(2) 0.2086(6) 0.054(5) Uani 0.50 1 d PDU F 3
H18A H 1.1929 0.1500 0.1962 0.065 Uiso 0.50 1 calc PR F 3
H18B H 1.2290 0.2680 0.1687 0.065 Uiso 0.50 1 calc PR F 3
C19 C 1.3422(15) 0.307(2) 0.2529(8) 0.059(5) Uani 0.50 1 d PDU F 3
H19A H 1.4041 0.3665 0.2331 0.071 Uiso 0.50 1 calc PR F 3
H19B H 1.3678 0.2488 0.2608 0.071 Uiso 0.50 1 calc PR F 3
C20 C 1.3287(9) 0.3737(19) 0.3160(7) 0.037(4) Uani 0.50 1 d PDU F 3
H20A H 1.3537 0.3500 0.3528 0.044 Uiso 0.50 1 calc PR F 3
H20B H 1.3798 0.4636 0.3231 0.044 Uiso 0.50 1 calc PR F 3
C9' C 1.2294(18) 0.8944(9) 0.4854(13) 0.051(4) Uani 0.50 1 d PD E 4
H9'A H 1.3077 0.9165 0.4711 0.061 Uiso 0.50 1 calc PR E 4
H9'B H 1.2454 0.9335 0.5323 0.061 Uiso 0.50 1 calc PR E 4
C10' C 1.160(3) 0.9369(16) 0.448(2) 0.062(3) Uani 0.50 1 d PD E 4
H10C H 1.1499 0.9999 0.4774 0.075 Uiso 0.50 1 calc PR E 4
H10D H 1.2043 0.9730 0.4144 0.075 Uiso 0.50 1 calc PR E 4
C11' C 1.038(2) 0.826(2) 0.4166(12) 0.076(6) Uani 0.50 1 d PD E 4
H11C H 0.9741 0.8279 0.4399 0.091 Uiso 0.50 1 calc PR E 4
H11D H 1.0174 0.8233 0.3710 0.091 Uiso 0.50 1 calc PR E 4
C12' C 1.0467(11) 0.7145(14) 0.4203(7) 0.047(4) Uani 0.50 1 d PD E 4
H12C H 0.9716 0.6521 0.4310 0.056 Uiso 0.50 1 calc PR E 4
H12D H 1.0594 0.6777 0.3784 0.056 Uiso 0.50 1 calc PR E 4
C13' C 1.4901(10) 0.7704(14) 0.6132(8) 0.065(4) Uani 0.50 1 d PD E 4
H13C H 1.4940 0.7516 0.5666 0.078 Uiso 0.50 1 calc PR E 4
H13D H 1.4929 0.7072 0.6317 0.078 Uiso 0.50 1 calc PR E 4
C14' C 1.5939(8) 0.8989(16) 0.6488(9) 0.076(4) Uani 0.50 1 d PD E 4
H14C H 1.6167 0.9547 0.6200 0.091 Uiso 0.50 1 calc PR E 4
H14D H 1.6658 0.8956 0.6650 0.091 Uiso 0.50 1 calc PR E 4
C15' C 1.5428(11) 0.9415(13) 0.7053(7) 0.064(3) Uani 0.50 1 d PD E 4
H15C H 1.5679 0.9258 0.7453 0.077 Uiso 0.50 1 calc PR E 4
H15D H 1.5725 1.0304 0.7134 0.077 Uiso 0.50 1 calc PR E 4
C16' C 1.4067(10) 0.8685(15) 0.6856(7) 0.068(3) Uani 0.50 1 d PD E 4
H16C H 1.3691 0.8270 0.7191 0.081 Uiso 0.50 1 calc PR E 4
H16D H 1.3751 0.9231 0.6797 0.081 Uiso 0.50 1 calc PR E 4
C17' C 1.1258(12) 0.2350(14) 0.2519(6) 0.038(4) Uani 0.50 1 d PD F 4
H17C H 1.0836 0.2589 0.2227 0.045 Uiso 0.50 1 calc PR F 4
H17D H 1.0648 0.1615 0.2639 0.045 Uiso 0.50 1 calc PR F 4
C18' C 1.2162(19) 0.2088(16) 0.2192(8) 0.054(5) Uani 0.50 1 d PD F 4
H18C H 1.1901 0.1797 0.1716 0.065 Uiso 0.50 1 calc PR F 4
H18D H 1.2259 0.1463 0.2350 0.065 Uiso 0.50 1 calc PR F 4
C19' C 1.3344(15) 0.333(2) 0.2384(8) 0.059(5) Uani 0.50 1 d PD F 4
H19C H 1.4054 0.3215 0.2390 0.071 Uiso 0.50 1 calc PR F 4
H19D H 1.3388 0.3827 0.2078 0.071 Uiso 0.50 1 calc PR F 4
C20' C 1.3301(9) 0.3953(16) 0.3064(8) 0.037(4) Uani 0.50 1 d PD F 4
H20C H 1.3742 0.3807 0.3399 0.044 Uiso 0.50 1 calc PR F 4
H20D H 1.3668 0.4848 0.3123 0.044 Uiso 0.50 1 calc PR F 4
C21 C 0.7598(6) 0.4200(6) 0.0471(3) 0.0349(14) Uani 1 1 d D . .
C22 C 0.8376(5) 0.3623(5) 0.0323(3) 0.0422(16) Uani 1 1 d D . .
C23 C 0.6614(6) 0.5516(7) 0.1975(3) 0.0395(15) Uani 1 1 d D . .
C24 C 0.6843(6) 0.5826(7) 0.2715(3) 0.060(2) Uani 1 1 d D . .
C25 C 0.2892(6) 0.1350(6) -0.1023(3) 0.0379(15) Uani 1 1 d D . .
C26 C 0.2587(6) 0.0121(6) -0.1466(3) 0.0464(17) Uani 1 1 d D . .
C27 C 0.1347(5) 0.2204(5) 0.0217(3) 0.0291(12) Uani 1 1 d D . .
C28 C 0.0179(5) 0.1555(5) 0.0478(3) 0.0357(14) Uani 1 1 d D . .
C29 C 0.5231(14) 0.2033(11) 0.1488(7) 0.053(4) Uani 0.50 1 d PDU . 3
H29A H 0.5286 0.2641 0.1873 0.064 Uiso 0.50 1 calc PR . 3
H29B H 0.6046 0.2315 0.1377 0.064 Uiso 0.50 1 calc PR . 3
C30 C 0.4714(19) 0.0766(15) 0.1616(8) 0.075(5) Uani 0.50 1 d PDU . 3
H30A H 0.4192 0.0678 0.1948 0.090 Uiso 0.50 1 calc PR . 3
H30B H 0.5371 0.0629 0.1765 0.090 Uiso 0.50 1 calc PR . 3
C31 C 0.3977(19) -0.0137(9) 0.0963(11) 0.066(5) Uani 0.50 1 d PDU . 3
H31A H 0.4491 -0.0356 0.0704 0.079 Uiso 0.50 1 calc PR . 3
H31B H 0.3295 -0.0897 0.1025 0.079 Uiso 0.50 1 calc PR . 3
C32 C 0.3512(14) 0.0541(9) 0.0630(9) 0.053(4) Uani 0.50 1 d PDU . 3
H32A H 0.3505 0.0337 0.0159 0.064 Uiso 0.50 1 calc PR . 3
H32B H 0.2680 0.0313 0.0700 0.064 Uiso 0.50 1 calc PR . 3
C33 C 0.2595(11) 0.5022(18) 0.1119(11) 0.049(4) Uani 0.50 1 d PDU . 3
H33A H 0.2014 0.4274 0.1238 0.059 Uiso 0.50 1 calc PR . 3
H33B H 0.2314 0.4946 0.0664 0.059 Uiso 0.50 1 calc PR . 3
C34 C 0.267(2) 0.615(3) 0.1561(15) 0.066(5) Uani 0.50 1 d PDU . 3
H34A H 0.2340 0.5966 0.1956 0.079 Uiso 0.50 1 calc PR . 3
H34B H 0.2225 0.6456 0.1335 0.079 Uiso 0.50 1 calc PR . 3
C35 C 0.404(3) 0.7102(15) 0.1731(17) 0.068(4) Uani 0.50 1 d PDU . 3
H35A H 0.4285 0.7592 0.1410 0.081 Uiso 0.50 1 calc PR . 3
H35B H 0.4245 0.7663 0.2166 0.081 Uiso 0.50 1 calc PR . 3
C36 C 0.4640(15) 0.6322(13) 0.1712(9) 0.053(4) Uani 0.50 1 d PDU . 3
H36A H 0.5458 0.6752 0.1604 0.064 Uiso 0.50 1 calc PR . 3
H36B H 0.4708 0.6140 0.2134 0.064 Uiso 0.50 1 calc PR . 3
C37 C 1.0127(9) 0.7136(8) 0.1856(6) 0.038(2) Uani 0.50 1 d PDU . 3
H37A H 1.0170 0.6488 0.1540 0.045 Uiso 0.50 1 calc PR . 3
H37B H 0.9636 0.6763 0.2173 0.045 Uiso 0.50 1 calc PR . 3
C38 C 1.1386(9) 0.8151(10) 0.2196(7) 0.046(3) Uani 0.50 1 d PDU . 3
H38A H 1.2000 0.8135 0.1940 0.055 Uiso 0.50 1 calc PR . 3
H38B H 1.1572 0.8058 0.2629 0.055 Uiso 0.50 1 calc PR . 3
C39 C 1.1377(11) 0.9346(9) 0.2255(7) 0.054(3) Uani 0.50 1 d PDU . 3
H39A H 1.2188 1.0023 0.2246 0.064 Uiso 0.50 1 calc PR . 3
H39B H 1.1119 0.9573 0.2663 0.064 Uiso 0.50 1 calc PR . 3
C40 C 1.0461(10) 0.9075(8) 0.1665(6) 0.042(2) Uani 0.50 1 d PDU . 3
H40A H 1.0047 0.9551 0.1767 0.050 Uiso 0.50 1 calc PR . 3
H40B H 1.0869 0.9286 0.1293 0.050 Uiso 0.50 1 calc PR . 3
C29' C 0.5343(11) 0.1799(12) 0.1293(10) 0.053(4) Uani 0.50 1 d PD . 4
H29C H 0.5580 0.2316 0.1742 0.064 Uiso 0.50 1 calc PR . 4
H29D H 0.6064 0.2088 0.1082 0.064 Uiso 0.50 1 calc PR . 4
C30' C 0.4841(15) 0.0463(14) 0.1289(12) 0.075(5) Uani 0.50 1 d PD . 4
H30C H 0.5326 0.0145 0.1068 0.090 Uiso 0.50 1 calc PR . 4
H30D H 0.4874 0.0381 0.1737 0.090 Uiso 0.50 1 calc PR . 4
C31' C 0.3559(15) -0.0246(9) 0.0938(15) 0.066(5) Uani 0.50 1 d PD . 4
H31C H 0.3011 -0.0663 0.1225 0.079 Uiso 0.50 1 calc PR . 4
H31D H 0.3465 -0.0877 0.0553 0.079 Uiso 0.50 1 calc PR . 4
C32' C 0.3249(10) 0.0644(10) 0.0733(11) 0.053(4) Uani 0.50 1 d PD . 4
H32C H 0.2975 0.0391 0.0259 0.064 Uiso 0.50 1 calc PR . 4
H32D H 0.2593 0.0664 0.0947 0.064 Uiso 0.50 1 calc PR . 4
C33' C 0.2569(10) 0.4871(17) 0.1272(12) 0.049(4) Uani 0.50 1 d PD . 4
H33C H 0.2197 0.4183 0.1478 0.059 Uiso 0.50 1 calc PR . 4
H33D H 0.2065 0.4629 0.0845 0.059 Uiso 0.50 1 calc PR . 4
C34' C 0.265(2) 0.602(3) 0.1698(15) 0.066(5) Uani 0.50 1 d PD . 4
H34C H 0.2633 0.5977 0.2153 0.079 Uiso 0.50 1 calc PR . 4
H34D H 0.1980 0.6131 0.1542 0.079 Uiso 0.50 1 calc PR . 4
C35' C 0.389(3) 0.7071(14) 0.1630(18) 0.068(4) Uani 0.50 1 d PD . 4
H35C H 0.3801 0.7369 0.1250 0.081 Uiso 0.50 1 calc PR . 4
H35D H 0.4235 0.7767 0.2022 0.081 Uiso 0.50 1 calc PR . 4
C36' C 0.4669(14) 0.6476(11) 0.1543(10) 0.053(4) Uani 0.50 1 d PD . 4
H36C H 0.5297 0.6880 0.1288 0.064 Uiso 0.50 1 calc PR . 4
H36D H 0.5071 0.6541 0.1969 0.064 Uiso 0.50 1 calc PR . 4
C37' C 1.0650(8) 0.7634(12) 0.1399(5) 0.038(2) Uani 0.50 1 d PD . 4
H37C H 1.0897 0.7860 0.0995 0.045 Uiso 0.50 1 calc PR . 4
H37D H 1.0488 0.6789 0.1363 0.045 Uiso 0.50 1 calc PR . 4
C38' C 1.1639(7) 0.8536(14) 0.1983(6) 0.046(3) Uani 0.50 1 d PD . 4
H38C H 1.2172 0.9327 0.1885 0.055 Uiso 0.50 1 calc PR . 4
H38D H 1.2137 0.8195 0.2114 0.055 Uiso 0.50 1 calc PR . 4
C39' C 1.0929(11) 0.8704(15) 0.2521(4) 0.054(3) Uani 0.50 1 d PD . 4
H39C H 1.0692 0.8054 0.2753 0.064 Uiso 0.50 1 calc PR . 4
H39D H 1.1418 0.9515 0.2837 0.064 Uiso 0.50 1 calc PR . 4
C40' C 0.9815(9) 0.8604(12) 0.2148(5) 0.042(2) Uani 0.50 1 d PD . 4
H40C H 0.9120 0.8287 0.2377 0.050 Uiso 0.50 1 calc PR . 4
H40D H 0.9987 0.9410 0.2088 0.050 Uiso 0.50 1 calc PR . 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 '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
O11 Pb1 O8 76.81(17) . .
O11 Pb1 O5 71.05(16) . .
O8 Pb1 O5 76.43(18) . .
O11 Pb1 O3 72.40(17) . .
O8 Pb1 O3 141.38(18) . .
O5 Pb1 O3 113.68(18) . .
O11 Pb1 O1 80.49(16) . .
O8 Pb1 O1 78.15(15) . .
O5 Pb1 O1 145.32(16) . .
O3 Pb1 O1 74.30(19) . .
O11 Pb1 O10 106.04(18) . .
O8 Pb1 O10 145.0(2) . .
O5 Pb1 O10 72.0(2) . .
O3 Pb1 O10 67.8(2) . .
O1 Pb1 O10 136.8(2) . .
O11 Pb1 O9 144.94(15) . .
O8 Pb1 O9 116.91(15) . .
O5 Pb1 O9 141.41(15) . .
O3 Pb1 O9 79.39(15) . .
O1 Pb1 O9 72.03(14) . .
O10 Pb1 O9 81.25(16) . .
O11 Pb1 O9 140.11(15) . 2_766
O8 Pb1 O9 73.21(14) . 2_766
O5 Pb1 O9 76.76(14) . 2_766
O3 Pb1 O9 144.30(16) . 2_766
O1 Pb1 O9 117.48(15) . 2_766
O10 Pb1 O9 85.13(17) . 2_766
O9 Pb1 O9 73.68(15) . 2_766
O22 Pb2 O15 72.5(2) . .
O22 Pb2 O20 74.34(16) . .
O15 Pb2 O20 112.28(18) . .
O22 Pb2 O21 141.34(18) . 2_665
O15 Pb2 O21 145.12(19) . 2_665
O20 Pb2 O21 79.66(14) . 2_665
O22 Pb2 O13 74.1(2) . .
O15 Pb2 O13 80.24(18) . .
O20 Pb2 O13 140.21(17) . .
O21 Pb2 O13 112.2(2) 2_665 .
O22 Pb2 O21 136.61(15) . .
O15 Pb2 O21 78.98(16) . .
O20 Pb2 O21 148.24(15) . .
O21 Pb2 O21 75.91(14) 2_665 .
O13 Pb2 O21 69.24(15) . .
O22 Pb2 O23 119.2(3) . .
O15 Pb2 O23 72.76(19) . .
O20 Pb2 O23 74.94(16) . .
O21 Pb2 O23 79.67(18) 2_665 .
O13 Pb2 O23 142.97(16) . .
O21 Pb2 O23 80.93(17) . .
O22 Pb2 O17 76.2(2) . .
O15 Pb2 O17 144.59(18) . .
O20 Pb2 O17 73.84(16) . .
O21 Pb2 O17 69.33(16) 2_665 .
O13 Pb2 O17 75.56(18) . .
O21 Pb2 O17 114.91(19) . .
O23 Pb2 O17 139.11(15) . .
O17 Pb2' O13 89.8(6) . .
O17 Pb2' O21 77.6(3) . 2_665
O13 Pb2' O21 127.9(6) . 2_665
O17 Pb2' O22 83.3(3) . .
O13 Pb2' O22 79.1(2) . .
O21 Pb2' O22 146.2(2) 2_665 .
O17 Pb2' O21 131.1(6) . .
O13 Pb2' O21 73.8(2) . .
O21 Pb2' O21 77.48(16) 2_665 .
O22 Pb2' O21 134.9(3) . .
O9 Ti1 O7 98.3(2) . 2_766
O9 Ti1 O2 99.1(2) . .
O7 Ti1 O2 162.61(19) 2_766 .
O9 Ti1 O4 100.2(2) . .
O7 Ti1 O4 88.1(2) 2_766 .
O2 Ti1 O4 89.7(2) . .
O9 Ti1 O6 99.8(2) . 2_766
O7 Ti1 O6 89.3(2) 2_766 2_766
O2 Ti1 O6 86.9(2) . 2_766
O4 Ti1 O6 160.0(2) . 2_766
O9 Ti1 O12 179.35(19) . .
O7 Ti1 O12 81.06(17) 2_766 .
O2 Ti1 O12 81.58(17) . .
O4 Ti1 O12 79.86(18) . .
O6 Ti1 O12 80.19(18) 2_766 .
O21 Ti2 O14 98.1(2) . .
O21 Ti2 O18 98.3(2) . 2_665
O14 Ti2 O18 163.56(18) . 2_665
O21 Ti2 O19 102.1(2) . 2_665
O14 Ti2 O19 88.05(18) . 2_665
O18 Ti2 O19 87.72(19) 2_665 2_665
O21 Ti2 O16 100.4(2) . .
O14 Ti2 O16 90.1(2) . .
O18 Ti2 O16 87.7(2) 2_665 .
O19 Ti2 O16 157.52(19) 2_665 .
O21 Ti2 O24 178.2(2) . .
O14 Ti2 O24 81.45(16) . .
O18 Ti2 O24 82.16(17) 2_665 .
O19 Ti2 O24 79.71(16) 2_665 .
O16 Ti2 O24 77.86(17) . .
C1 O1 Pb1 132.4(4) . .
C1 O2 Ti1 134.6(4) . .
C3 O3 Pb1 128.5(5) . .
C3 O4 Ti1 133.7(5) . .
C5 O5 Pb1 133.6(4) . .
C5 O6 Ti1 132.7(4) . 2_766
C7 O7 Ti1 136.7(4) . 2_766
C7 O8 Pb1 132.2(4) . .
Ti1 O9 Pb1 126.0(2) . .
Ti1 O9 Pb1 127.6(2) . 2_766
Pb1 O9 Pb1 106.32(15) . 2_766
C12' O10 C9' 108.4(6) . .
C9' O10 C12 112.0(12) . .
C12' O10 C9 100.9(12) . .
C12 O10 C9 107.9(6) . .
C12' O10 Pb1 127.3(7) . .
C9' O10 Pb1 122.4(8) . .
C12 O10 Pb1 117.2(7) . .
C9 O10 Pb1 131.5(8) . .
C13' O11 C16' 108.6(6) . .
C13 O11 C16 108.1(6) . .
C13' O11 Pb1 124.3(5) . .
C13 O11 Pb1 125.7(5) . .
C16' O11 Pb1 126.8(5) . .
C16 O11 Pb1 120.5(5) . .
C17 O12 C20 109.2(6) . .
C17' O12 C20 110.2(10) . .
C17 O12 C20' 104.7(10) . .
C17' O12 C20' 109.6(6) . .
C17 O12 Ti1 125.6(6) . .
C17' O12 Ti1 124.0(6) . .
C20 O12 Ti1 124.9(6) . .
C20' O12 Ti1 126.3(6) . .
C21 O13 Pb2' 141.9(5) . .
C21 O13 Pb2 135.3(5) . .
C21 O14 Ti2 133.2(4) . .
C23 O15 Pb2 134.6(4) . .
C23 O16 Ti2 137.2(5) . .
C25 O17 Pb2' 137.1(5) . .
C25 O17 Pb2 133.2(4) . .
C25 O18 Ti2 133.8(4) . 2_665
C27 O19 Ti2 135.6(4) . 2_665
C27 O20 Pb2 133.1(4) . .
Ti2 O21 Pb2' 127.8(2) . 2_665
Ti2 O21 Pb2 128.1(2) . 2_665
Ti2 O21 Pb2 127.8(2) . .
Pb2' O21 Pb2 103.67(17) 2_665 .
Pb2 O21 Pb2 104.09(14) 2_665 .
Ti2 O21 Pb2' 129.6(2) . .
C32' O22 C29' 109.6(5) . .
C32' O22 C29 114.0(9) . .
C32 O22 C29 109.7(5) . .
C32' O22 Pb2 122.6(6) . .
C32 O22 Pb2 127.8(6) . .
C29' O22 Pb2 127.2(5) . .
C29 O22 Pb2 122.1(5) . .
C32' O22 Pb2' 120.3(7) . .
C32 O22 Pb2' 121.7(7) . .
C29' O22 Pb2' 125.9(6) . .
C29 O22 Pb2' 125.7(6) . .
C36' O23 C33 105.4(14) . .
C36' O23 C33' 107.8(6) . .
C33 O23 C36 107.4(6) . .
C33' O23 C36 105.0(14) . .
C36' O23 Pb2 123.8(8) . .
C33 O23 Pb2 128.1(8) . .
C33' O23 Pb2 128.4(8) . .
C36 O23 Pb2 124.5(8) . .
C37' O24 C40' 110.9(5) . .
C40 O24 C37 108.3(5) . .
C37' O24 Ti2 127.8(4) . .
C40' O24 Ti2 121.2(4) . .
C40 O24 Ti2 128.6(4) . .
C37 O24 Ti2 123.1(4) . .
O1 C1 O2 129.0(6) . .
O1 C1 C2 117.2(5) . .
O2 C1 C2 113.7(5) . .
F2' C2 F1 129.3(10) . .
F2' C2 F3 74.1(8) . .
F1 C2 F3 110.2(8) . .
F2' C2 F1' 110.2(8) . .
F1 C2 F2 107.1(7) . .
F3 C2 F2 105.2(7) . .
F2' C2 F3' 109.8(7) . .
F1' C2 F3' 104.0(7) . .
F2' C2 C1 111.7(8) . .
F1 C2 C1 110.9(9) . .
F3 C2 C1 115.3(7) . .
F1' C2 C1 111.6(8) . .
F2 C2 C1 107.5(7) . .
F3' C2 C1 109.3(7) . .
O3 C3 O4 128.6(6) . .
O3 C3 C4 118.5(6) . .
O4 C3 C4 112.9(6) . .
F4 C4 F5' 126.5(19) . .
F5' C4 F6' 109.9(11) . .
F4 C4 F6 107.7(7) . .
F5' C4 F4' 108.7(11) . .
F6' C4 F4' 108.5(11) . .
F4 C4 F5 109.2(7) . .
F6 C4 F5 106.5(7) . .
F4 C4 C3 111.6(7) . .
F5' C4 C3 111(2) . .
F6' C4 C3 104.2(16) . .
F6 C4 C3 111.6(7) . .
F4' C4 C3 114.3(19) . .
F5 C4 C3 110.1(6) . .
O5 C5 O6 128.4(6) . .
O5 C5 C6 117.5(6) . .
O6 C5 C6 114.0(6) . .
F8 C6 F9 110.3(7) . .
F7' C6 F9' 108.7(9) . .
F8 C6 F7 107.3(7) . .
F9 C6 F7 107.3(6) . .
F7' C6 F8' 107.1(9) . .
F9' C6 F8' 105.8(8) . .
F8 C6 C5 108.4(6) . .
F9 C6 C5 112.2(6) . .
F7' C6 C5 115.0(9) . .
F9' C6 C5 108.7(9) . .
F7 C6 C5 111.2(6) . .
F8' C6 C5 111.2(9) . .
O8 C7 O7 129.3(6) . .
O8 C7 C8 119.0(5) . .
O7 C7 C8 111.7(5) . .
F12' C8 F11 126.4(9) . .
F11 C8 F12 112.3(7) . .
F12' C8 F10' 113.4(9) . .
F12' C8 F11' 104.8(8) . .
F10' C8 F11' 103.9(8) . .
F11 C8 F10 103.1(6) . .
F12 C8 F10 103.5(7) . .
F12' C8 C7 118.1(8) . .
F11 C8 C7 114.3(7) . .
F12 C8 C7 116.5(6) . .
F10' C8 C7 115.7(10) . .
F10 C8 C7 105.2(6) . .
O10 C9 C10 106.8(5) . .
O10 C9 H9A 110.4 . .
C10 C9 H9A 110.4 . .
O10 C9 H9B 110.4 . .
C10 C9 H9B 110.4 . .
H9A C9 H9B 108.6 . .
C9 C10 C11 106.5(7) . .
C9 C10 H10A 110.4 . .
C11 C10 H10A 110.4 . .
C9 C10 H10B 110.4 . .
C11 C10 H10B 110.4 . .
H10A C10 H10B 108.6 . .
C12 C11 C10 105.4(7) . .
C12 C11 H11A 110.7 . .
C10 C11 H11A 110.7 . .
C12 C11 H11B 110.7 . .
C10 C11 H11B 110.7 . .
H11A C11 H11B 108.8 . .
O10 C12 C11 105.7(6) . .
O10 C12 H12A 110.6 . .
C11 C12 H12A 110.6 . .
O10 C12 H12B 110.6 . .
C11 C12 H12B 110.6 . .
H12A C12 H12B 108.7 . .
O11 C13 C14 108.1(7) . .
O11 C13 H13A 110.1 . .
C14 C13 H13A 110.1 . .
O11 C13 H13B 110.1 . .
C14 C13 H13B 110.1 . .
H13A C13 H13B 108.4 . .
C13 C14 C15 105.8(6) . .
C13 C14 H14A 110.6 . .
C15 C14 H14A 110.6 . .
C13 C14 H14B 110.6 . .
C15 C14 H14B 110.6 . .
H14A C14 H14B 108.7 . .
C16 C15 C14 105.9(6) . .
C16 C15 H15A 110.6 . .
C14 C15 H15A 110.6 . .
C16 C15 H15B 110.6 . .
C14 C15 H15B 110.6 . .
H15A C15 H15B 108.7 . .
O11 C16 C15 106.2(7) . .
O11 C16 H16A 110.5 . .
C15 C16 H16A 110.5 . .
O11 C16 H16B 110.5 . .
C15 C16 H16B 110.5 . .
H16A C16 H16B 108.7 . .
O12 C17 C18 107.7(6) . .
O12 C17 H17A 110.2 . .
C18 C17 H17A 110.2 . .
O12 C17 H17B 110.2 . .
C18 C17 H17B 110.2 . .
H17A C17 H17B 108.5 . .
C19 C18 C17 107.9(6) . .
C19 C18 H18A 110.1 . .
C17 C18 H18A 110.1 . .
C19 C18 H18B 110.1 . .
C17 C18 H18B 110.1 . .
H18A C18 H18B 108.4 . .
C18 C19 C20 107.7(6) . .
C18 C19 H19A 110.2 . .
C20 C19 H19A 110.2 . .
C18 C19 H19B 110.2 . .
C20 C19 H19B 110.2 . .
H19A C19 H19B 108.5 . .
O12 C20 C19 107.0(6) . .
O12 C20 H20A 110.3 . .
C19 C20 H20A 110.3 . .
O12 C20 H20B 110.3 . .
C19 C20 H20B 110.3 . .
H20A C20 H20B 108.6 . .
O10 C9' C10' 106.9(5) . .
O10 C9' H9'A 110.3 . .
C10' C9' H9'A 110.3 . .
O10 C9' H9'B 110.3 . .
C10' C9' H9'B 110.3 . .
H9'A C9' H9'B 108.6 . .
C11' C10' C9' 107.3(6) . .
C11' C10' H10C 110.2 . .
C9' C10' H10C 110.2 . .
C11' C10' H10D 110.2 . .
C9' C10' H10D 110.2 . .
H10C C10' H10D 108.5 . .
C12' C11' C10' 106.8(7) . .
C12' C11' H11C 110.4 . .
C10' C11' H11C 110.4 . .
C12' C11' H11D 110.4 . .
C10' C11' H11D 110.4 . .
H11C C11' H11D 108.6 . .
O10 C12' C11' 106.8(6) . .
O10 C12' H12C 110.4 . .
C11' C12' H12C 110.4 . .
O10 C12' H12D 110.4 . .
C11' C12' H12D 110.4 . .
H12C C12' H12D 108.6 . .
O11 C13' C14' 104.5(7) . .
O11 C13' H13C 110.9 . .
C14' C13' H13C 110.9 . .
O11 C13' H13D 110.9 . .
C14' C13' H13D 110.9 . .
H13C C13' H13D 108.9 . .
C13' C14' C15' 104.3(7) . .
C13' C14' H14C 110.9 . .
C15' C14' H14C 110.9 . .
C13' C14' H14D 110.9 . .
C15' C14' H14D 110.9 . .
H14C C14' H14D 108.9 . .
C16' C15' C14' 106.5(6) . .
C16' C15' H15C 110.4 . .
C14' C15' H15C 110.4 . .
C16' C15' H15D 110.4 . .
C14' C15' H15D 110.4 . .
H15C C15' H15D 108.6 . .
O11 C16' C15' 106.4(6) . .
O11 C16' H16C 110.5 . .
C15' C16' H16C 110.5 . .
O11 C16' H16D 110.5 . .
C15' C16' H16D 110.5 . .
H16C C16' H16D 108.6 . .
O12 C17' C18' 105.7(7) . .
O12 C17' H17C 110.6 . .
C18' C17' H17C 110.6 . .
O12 C17' H17D 110.6 . .
C18' C17' H17D 110.6 . .
H17C C17' H17D 108.7 . .
C17' C18' C19' 104.1(7) . .
C17' C18' H18C 110.9 . .
C19' C18' H18C 110.9 . .
C17' C18' H18D 110.9 . .
C19' C18' H18D 110.9 . .
H18C C18' H18D 109.0 . .
C20' C19' C18' 104.7(6) . .
C20' C19' H19C 110.8 . .
C18' C19' H19C 110.8 . .
C20' C19' H19D 110.8 . .
C18' C19' H19D 110.8 . .
H19C C19' H19D 108.9 . .
O12 C20' C19' 105.3(6) . .
O12 C20' H20C 110.7 . .
C19' C20' H20C 110.7 . .
O12 C20' H20D 110.7 . .
C19' C20' H20D 110.7 . .
H20C C20' H20D 108.8 . .
O13 C21 O14 129.1(6) . .
O13 C21 C22 116.4(6) . .
O14 C21 C22 114.5(5) . .
F13 C22 F14 107.2(5) . .
F13 C22 F15 107.2(5) . .
F14 C22 F15 107.4(5) . .
F13 C22 C21 114.0(5) . .
F14 C22 C21 111.0(5) . .
F15 C22 C21 109.9(5) . .
O15 C23 O16 128.8(6) . .
O15 C23 C24 118.7(6) . .
O16 C23 C24 112.5(6) . .
F17 C24 F18 108.7(6) . .
F17 C24 F16 108.2(7) . .
F18 C24 F16 105.6(6) . .
F17 C24 C23 109.9(6) . .
F18 C24 C23 111.2(6) . .
F16 C24 C23 113.0(6) . .
O17 C25 O18 130.0(6) . .
O17 C25 C26 116.3(6) . .
O18 C25 C26 113.7(6) . .
F20 C26 F19 106.9(5) . .
F20 C26 F21 106.7(6) . .
F19 C26 F21 108.2(5) . .
F20 C26 C25 113.5(5) . .
F19 C26 C25 111.8(6) . .
F21 C26 C25 109.4(5) . .
O20 C27 O19 128.6(6) . .
O20 C27 C28 117.5(5) . .
O19 C27 C28 113.8(5) . .
F24 C28 F22 107.0(5) . .
F24 C28 F23 107.2(5) . .
F22 C28 F23 106.8(5) . .
F24 C28 C27 110.3(5) . .
F22 C28 C27 113.0(5) . .
F23 C28 C27 112.2(5) . .
O22 C29 C30 105.1(6) . .
O22 C29 H29A 110.7 . .
C30 C29 H29A 110.7 . .
O22 C29 H29B 110.7 . .
C30 C29 H29B 110.7 . .
H29A C29 H29B 108.8 . .
C29 C30 C31 104.7(7) . .
C29 C30 H30A 110.8 . .
C31 C30 H30A 110.8 . .
C29 C30 H30B 110.8 . .
C31 C30 H30B 110.8 . .
H30A C30 H30B 108.9 . .
C32 C31 C30 105.0(7) . .
C32 C31 H31A 110.8 . .
C30 C31 H31A 110.8 . .
C32 C31 H31B 110.8 . .
C30 C31 H31B 110.8 . .
H31A C31 H31B 108.8 . .
O22 C32 C31 106.1(6) . .
O22 C32 H32A 110.5 . .
C31 C32 H32A 110.5 . .
O22 C32 H32B 110.5 . .
C31 C32 H32B 110.5 . .
H32A C32 H32B 108.7 . .
O23 C33 C34 108.1(7) . .
O23 C33 H33A 110.1 . .
C34 C33 H33A 110.1 . .
O23 C33 H33B 110.1 . .
C34 C33 H33B 110.1 . .
H33A C33 H33B 108.4 . .
C33 C34 C35 104.3(7) . .
C33 C34 H34A 110.9 . .
C35 C34 H34A 110.9 . .
C33 C34 H34B 110.9 . .
C35 C34 H34B 110.9 . .
H34A C34 H34B 108.9 . .
C36 C35 C34 104.0(7) . .
C36 C35 H35A 111.0 . .
C34 C35 H35A 111.0 . .
C36 C35 H35B 111.0 . .
C34 C35 H35B 111.0 . .
H35A C35 H35B 109.0 . .
O23 C36 C35 105.1(8) . .
O23 C36 H36A 110.7 . .
C35 C36 H36A 110.7 . .
O23 C36 H36B 110.7 . .
C35 C36 H36B 110.7 . .
H36A C36 H36B 108.8 . .
O24 C37 C38 106.8(6) . .
O24 C37 H37A 110.4 . .
C38 C37 H37A 110.4 . .
O24 C37 H37B 110.4 . .
C38 C37 H37B 110.4 . .
H37A C37 H37B 108.6 . .
C37 C38 C39 105.7(6) . .
C37 C38 H38A 110.6 . .
C39 C38 H38A 110.6 . .
C37 C38 H38B 110.6 . .
C39 C38 H38B 110.6 . .
H38A C38 H38B 108.7 . .
C38 C39 C40 104.7(6) . .
C38 C39 H39A 110.8 . .
C40 C39 H39A 110.8 . .
C38 C39 H39B 110.8 . .
C40 C39 H39B 110.8 . .
H39A C39 H39B 108.9 . .
O24 C40 C39 105.3(6) . .
O24 C40 H40A 110.7 . .
C39 C40 H40A 110.7 . .
O24 C40 H40B 110.7 . .
C39 C40 H40B 110.7 . .
H40A C40 H40B 108.8 . .
O22 C29' C30' 106.7(5) . .
O22 C29' H29C 110.4 . .
C30' C29' H29C 110.4 . .
O22 C29' H29D 110.4 . .
C30' C29' H29D 110.4 . .
H29C C29' H29D 108.6 . .
C31' C30' C29' 108.0(5) . .
C31' C30' H30C 110.1 . .
C29' C30' H30C 110.1 . .
C31' C30' H30D 110.1 . .
C29' C30' H30D 110.1 . .
H30C C30' H30D 108.4 . .
C30' C31' C32' 108.2(5) . .
C30' C31' H31C 110.1 . .
C32' C31' H31C 110.1 . .
C30' C31' H31D 110.1 . .
C32' C31' H31D 110.1 . .
H31C C31' H31D 108.4 . .
O22 C32' C31' 107.4(5) . .
O22 C32' H32C 110.2 . .
C31' C32' H32C 110.2 . .
O22 C32' H32D 110.2 . .
C31' C32' H32D 110.2 . .
H32C C32' H32D 108.5 . .
O23 C33' C34' 107.8(7) . .
O23 C33' H33C 110.2 . .
C34' C33' H33C 110.2 . .
O23 C33' H33D 110.2 . .
C34' C33' H33D 110.2 . .
H33C C33' H33D 108.5 . .
C33' C34' C35' 103.6(7) . .
C33' C34' H34C 111.0 . .
C35' C34' H34C 111.0 . .
C33' C34' H34D 111.0 . .
C35' C34' H34D 111.0 . .
H34C C34' H34D 109.0 . .
C36' C35' C34' 103.7(7) . .
C36' C35' H35C 111.0 . .
C34' C35' H35C 111.0 . .
C36' C35' H35D 111.0 . .
C34' C35' H35D 111.0 . .
H35C C35' H35D 109.0 . .
O23 C36' C35' 105.8(7) . .
O23 C36' H36C 110.6 . .
C35' C36' H36C 110.6 . .
O23 C36' H36D 110.6 . .
C35' C36' H36D 110.6 . .
H36C C36' H36D 108.7 . .
O24 C37' C38' 106.0(6) . .
O24 C37' H37C 110.5 . .
C38' C37' H37C 110.5 . .
O24 C37' H37D 110.5 . .
C38' C37' H37D 110.5 . .
H37C C37' H37D 108.7 . .
C37' C38' C39' 104.0(6) . .
C37' C38' H38C 111.0 . .
C39' C38' H38C 111.0 . .
C37' C38' H38D 111.0 . .
C39' C38' H38D 111.0 . .
H38C C38' H38D 109.0 . .
C40' C39' C38' 103.6(6) . .
C40' C39' H39C 111.0 . .
C38' C39' H39C 111.0 . .
C40' C39' H39D 111.0 . .
C38' C39' H39D 111.0 . .
H39C C39' H39D 109.0 . .
O24 C40' C39' 103.4(6) . .
O24 C40' H40C 111.1 . .
C39' C40' H40C 111.1 . .
O24 C40' H40D 111.1 . .
C39' C40' H40D 111.1 . .
H40C C40' H40D 109.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O11 2.509(4) .
Pb1 O8 2.597(5) .
Pb1 O5 2.606(5) .
Pb1 O3 2.623(5) .
Pb1 O1 2.625(5) .
Pb1 O10 2.647(5) .
Pb1 O9 2.652(4) .
Pb1 O9 2.662(4) 2_766
Pb2 O22 2.543(4) .
Pb2 O15 2.560(6) .
Pb2 O20 2.603(5) .
Pb2 O21 2.661(4) 2_665
Pb2 O13 2.666(6) .
Pb2 O21 2.667(4) .
Pb2 O23 2.722(5) .
Pb2 O17 2.726(6) .
Pb2' O17 2.320(14) .
Pb2' O13 2.359(11) .
Pb2' O21 2.562(5) 2_665
Pb2' O22 2.570(6) .
Pb2' O21 2.672(5) .
Ti1 O9 1.674(4) .
Ti1 O7 1.999(4) 2_766
Ti1 O2 2.001(4) .
Ti1 O4 2.012(5) .
Ti1 O6 2.016(5) 2_766
Ti1 O12 2.230(4) .
Ti2 O21 1.669(4) .
Ti2 O14 2.005(4) .
Ti2 O18 2.006(5) 2_665
Ti2 O19 2.010(5) 2_665
Ti2 O16 2.016(5) .
Ti2 O24 2.232(4) .
F1 C2 1.334(8) .
F2 C2 1.381(8) .
F3 C2 1.343(8) .
F4 C4 1.337(8) .
F5 C4 1.359(8) .
F6 C4 1.355(8) .
F7 C6 1.362(7) .
F8 C6 1.331(7) .
F9 C6 1.334(7) .
F10 C8 1.442(8) .
F11 C8 1.315(8) .
F12 C8 1.316(7) .
F13 C22 1.341(6) .
F14 C22 1.342(6) .
F15 C22 1.345(7) .
F16 C24 1.339(7) .
F17 C24 1.337(8) .
F18 C24 1.338(7) .
F19 C26 1.341(7) .
F20 C26 1.340(7) .
F21 C26 1.350(7) .
F22 C28 1.343(6) .
F23 C28 1.345(6) .
F24 C28 1.342(6) .
F1' C2 1.352(8) .
F2' C2 1.315(8) .
F3' C2 1.383(8) .
F4' C4 1.356(10) .
F5' C4 1.351(10) .
F6' C4 1.352(10) .
F7' C6 1.347(9) .
F8' C6 1.380(9) .
F9' C6 1.357(9) .
F10' C8 1.329(9) .
F11' C8 1.430(9) .
F12' C8 1.314(9) .
O1 C1 1.226(8) .
O2 C1 1.275(7) .
O3 C3 1.223(9) .
O4 C3 1.260(8) .
O5 C5 1.222(9) .
O6 C5 1.263(8) .
O6 Ti1 2.016(5) 2_766
O7 C7 1.272(8) .
O7 Ti1 1.999(4) 2_766
O8 C7 1.214(8) .
O9 Pb1 2.662(4) 2_766
O10 C12' 1.496(9) .
O10 C9' 1.500(9) .
O10 C12 1.502(9) .
O10 C9 1.503(9) .
O11 C13' 1.476(9) .
O11 C13 1.490(9) .
O11 C16' 1.504(9) .
O11 C16 1.507(10) .
O12 C17 1.481(9) .
O12 C17' 1.489(9) .
O12 C20 1.495(9) .
O12 C20' 1.502(9) .
O13 C21 1.222(8) .
O14 C21 1.264(7) .
O15 C23 1.214(8) .
O16 C23 1.246(8) .
O17 C25 1.229(9) .
O18 C25 1.262(8) .
O18 Ti2 2.006(5) 2_665
O19 C27 1.266(7) .
O19 Ti2 2.010(5) 2_665
O20 C27 1.225(7) .
O21 Pb2' 2.562(5) 2_665
O21 Pb2 2.661(4) 2_665
O22 C32' 1.480(9) .
O22 C32 1.485(9) .
O22 C29' 1.501(9) .
O22 C29 1.506(9) .
O23 C36' 1.493(10) .
O23 C33 1.496(10) .
O23 C33' 1.498(10) .
O23 C36 1.502(10) .
O24 C37' 1.469(8) .
O24 C40' 1.497(8) .
O24 C40 1.508(9) .
O24 C37 1.512(8) .
C1 C2 1.526(7) .
C3 C4 1.529(8) .
C5 C6 1.526(7) .
C7 C8 1.514(7) .
C9 C10 1.522(9) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.525(10) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.512(10) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.517(9) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.531(9) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.515(9) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.509(9) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.500(9) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.519(9) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C9' C10' 1.519(9) .
C9' H9'A 0.9900 .
C9' H9'B 0.9900 .
C10' C11' 1.515(9) .
C10' H10C 0.9900 .
C10' H10D 0.9900 .
C11' C12' 1.506(9) .
C11' H11C 0.9900 .
C11' H11D 0.9900 .
C12' H12C 0.9900 .
C12' H12D 0.9900 .
C13' C14' 1.533(10) .
C13' H13C 0.9900 .
C13' H13D 0.9900 .
C14' C15' 1.539(9) .
C14' H14C 0.9900 .
C14' H14D 0.9900 .
C15' C16' 1.512(9) .
C15' H15C 0.9900 .
C15' H15D 0.9900 .
C16' H16C 0.9900 .
C16' H16D 0.9900 .
C17' C18' 1.525(9) .
C17' H17C 0.9900 .
C17' H17D 0.9900 .
C18' C19' 1.535(10) .
C18' H18C 0.9900 .
C18' H18D 0.9900 .
C19' C20' 1.534(9) .
C19' H19C 0.9900 .
C19' H19D 0.9900 .
C20' H20C 0.9900 .
C20' H20D 0.9900 .
C21 C22 1.519(7) .
C23 C24 1.530(8) .
C25 C26 1.524(7) .
C27 C28 1.527(7) .
C29 C30 1.529(9) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.531(10) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.529(9) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.525(9) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.540(10) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.532(10) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.517(9) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.525(9) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.538(9) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C29' C30' 1.517(9) .
C29' H29C 0.9900 .
C29' H29D 0.9900 .
C30' C31' 1.497(9) .
C30' H30C 0.9900 .
C30' H30D 0.9900 .
C31' C32' 1.512(9) .
C31' H31C 0.9900 .
C31' H31D 0.9900 .
C32' H32C 0.9900 .
C32' H32D 0.9900 .
C33' C34' 1.526(9) .
C33' H33C 0.9900 .
C33' H33D 0.9900 .
C34' C35' 1.550(10) .
C34' H34C 0.9900 .
C34' H34D 0.9900 .
C35' C36' 1.529(9) .
C35' H35C 0.9900 .
C35' H35D 0.9900 .
C36' H36C 0.9900 .
C36' H36D 0.9900 .
C37' C38' 1.531(9) .
C37' H37C 0.9900 .
C37' H37D 0.9900 .
C38' C39' 1.554(9) .
C38' H38C 0.9900 .
C38' H38D 0.9900 .
C39' C40' 1.534(9) .
C39' H39C 0.9900 .
C39' H39D 0.9900 .
C40' H40C 0.9900 .
C40' H40D 0.9900 .
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
O11 Pb1 O1 C1 -119.6(6) . .
O8 Pb1 O1 C1 162.0(6) . .
O5 Pb1 O1 C1 -154.4(6) . .
O3 Pb1 O1 C1 -45.3(6) . .
O10 Pb1 O1 C1 -16.2(7) . .
O9 Pb1 O1 C1 38.4(6) . .
O9 Pb1 O1 C1 98.3(6) 2_766 .
O9 Ti1 O2 C1 -2.0(7) . .
O7 Ti1 O2 C1 -179.0(7) 2_766 .
O4 Ti1 O2 C1 98.3(6) . .
O6 Ti1 O2 C1 -101.4(6) 2_766 .
O12 Ti1 O2 C1 178.1(7) . .
O11 Pb1 O3 C3 -175.1(7) . .
O8 Pb1 O3 C3 146.2(6) . .
O5 Pb1 O3 C3 -115.8(7) . .
O1 Pb1 O3 C3 100.1(7) . .
O10 Pb1 O3 C3 -58.8(7) . .
O9 Pb1 O3 C3 26.0(7) . .
O9 Pb1 O3 C3 -15.3(9) 2_766 .
O9 Ti1 O4 C3 47.1(7) . .
O7 Ti1 O4 C3 145.2(7) 2_766 .
O2 Ti1 O4 C3 -52.1(7) . .
O6 Ti1 O4 C3 -132.1(7) 2_766 .
O12 Ti1 O4 C3 -133.6(7) . .
O11 Pb1 O5 C5 -175.0(8) . .
O8 Pb1 O5 C5 -94.5(7) . .
O3 Pb1 O5 C5 124.9(7) . .
O1 Pb1 O5 C5 -138.5(7) . .
O10 Pb1 O5 C5 70.2(7) . .
O9 Pb1 O5 C5 21.8(8) . .
O9 Pb1 O5 C5 -18.9(7) 2_766 .
O11 Pb1 O8 C7 116.2(6) . .
O5 Pb1 O8 C7 42.9(6) . .
O3 Pb1 O8 C7 153.9(5) . .
O1 Pb1 O8 C7 -160.9(6) . .
O10 Pb1 O8 C7 17.0(8) . .
O9 Pb1 O8 C7 -98.3(6) . .
O9 Pb1 O8 C7 -37.2(6) 2_766 .
O7 Ti1 O9 Pb1 -132.7(3) 2_766 .
O2 Ti1 O9 Pb1 48.2(3) . .
O4 Ti1 O9 Pb1 -43.2(3) . .
O6 Ti1 O9 Pb1 136.5(3) 2_766 .
O7 Ti1 O9 Pb1 44.1(3) 2_766 2_766
O2 Ti1 O9 Pb1 -135.0(3) . 2_766
O4 Ti1 O9 Pb1 133.6(3) . 2_766
O6 Ti1 O9 Pb1 -46.7(3) 2_766 2_766
O11 Pb1 O9 Ti1 -15.6(5) . .
O8 Pb1 O9 Ti1 -121.7(3) . .
O5 Pb1 O9 Ti1 135.9(3) . .
O3 Pb1 O9 Ti1 21.1(3) . .
O1 Pb1 O9 Ti1 -55.7(3) . .
O10 Pb1 O9 Ti1 89.9(3) . .
O9 Pb1 O9 Ti1 177.4(4) 2_766 .
O11 Pb1 O9 Pb1 167.0(2) . 2_766
O8 Pb1 O9 Pb1 60.9(2) . 2_766
O5 Pb1 O9 Pb1 -41.5(3) . 2_766
O3 Pb1 O9 Pb1 -156.3(2) . 2_766
O1 Pb1 O9 Pb1 126.9(2) . 2_766
O10 Pb1 O9 Pb1 -87.4(2) . 2_766
O9 Pb1 O9 Pb1 0.0 2_766 2_766
O11 Pb1 O10 C12' -179.6(10) . .
O8 Pb1 O10 C12' -89.8(11) . .
O5 Pb1 O10 C12' -116.3(11) . .
O3 Pb1 O10 C12' 117.6(11) . .
O1 Pb1 O10 C12' 87.2(11) . .
O9 Pb1 O10 C12' 35.5(10) . .
O9 Pb1 O10 C12' -38.7(10) 2_766 .
O11 Pb1 O10 C9' -16.7(15) . .
O8 Pb1 O10 C9' 73.2(16) . .
O5 Pb1 O10 C9' 46.7(15) . .
O3 Pb1 O10 C9' -79.4(15) . .
O1 Pb1 O10 C9' -109.8(15) . .
O9 Pb1 O10 C9' -161.5(15) . .
O9 Pb1 O10 C9' 124.3(15) 2_766 .
O11 Pb1 O10 C12 -162.2(9) . .
O8 Pb1 O10 C12 -72.4(9) . .
O5 Pb1 O10 C12 -98.9(9) . .
O3 Pb1 O10 C12 135.0(9) . .
O1 Pb1 O10 C12 104.6(9) . .
O9 Pb1 O10 C12 52.9(9) . .
O9 Pb1 O10 C12 -21.3(9) 2_766 .
O11 Pb1 O10 C9 -5.6(16) . .
O8 Pb1 O10 C9 84.2(16) . .
O5 Pb1 O10 C9 57.7(16) . .
O3 Pb1 O10 C9 -68.4(16) . .
O1 Pb1 O10 C9 -98.8(16) . .
O9 Pb1 O10 C9 -150.5(16) . .
O9 Pb1 O10 C9 135.3(16) 2_766 .
O8 Pb1 O11 C13' 116.5(11) . .
O5 Pb1 O11 C13' -163.5(11) . .
O3 Pb1 O11 C13' -39.9(11) . .
O1 Pb1 O11 C13' 36.6(11) . .
O10 Pb1 O11 C13' -99.6(11) . .
O9 Pb1 O11 C13' -1.9(12) . .
O9 Pb1 O11 C13' 158.5(10) 2_766 .
O8 Pb1 O11 C13 69.5(11) . .
O5 Pb1 O11 C13 149.4(11) . .
O3 Pb1 O11 C13 -86.9(11) . .
O1 Pb1 O11 C13 -10.5(11) . .
O10 Pb1 O11 C13 -146.6(11) . .
O9 Pb1 O11 C13 -48.9(12) . .
O9 Pb1 O11 C13 111.5(11) 2_766 .
O8 Pb1 O11 C16' -56.3(11) . .
O5 Pb1 O11 C16' 23.7(11) . .
O3 Pb1 O11 C16' 147.4(12) . .
O1 Pb1 O11 C16' -136.2(12) . .
O10 Pb1 O11 C16' 87.7(12) . .
O9 Pb1 O11 C16' -174.6(11) . .
O9 Pb1 O11 C16' -14.2(12) 2_766 .
O8 Pb1 O11 C16 -140.3(9) . .
O5 Pb1 O11 C16 -60.3(9) . .
O3 Pb1 O11 C16 63.4(9) . .
O1 Pb1 O11 C16 139.8(9) . .
O10 Pb1 O11 C16 3.6(10) . .
O9 Pb1 O11 C16 101.3(10) . .
O9 Pb1 O11 C16 -98.3(10) 2_766 .
O7 Ti1 O12 C17 -27.5(11) 2_766 .
O2 Ti1 O12 C17 151.7(11) . .
O4 Ti1 O12 C17 -117.1(11) . .
O6 Ti1 O12 C17 63.4(11) 2_766 .
O7 Ti1 O12 C17' -46.2(10) 2_766 .
O2 Ti1 O12 C17' 132.9(10) . .
O4 Ti1 O12 C17' -135.8(10) . .
O6 Ti1 O12 C17' 44.7(10) 2_766 .
O7 Ti1 O12 C20 146.3(12) 2_766 .
O2 Ti1 O12 C20 -34.6(12) . .
O4 Ti1 O12 C20 56.6(12) . .
O6 Ti1 O12 C20 -122.9(12) 2_766 .
O7 Ti1 O12 C20' 128.8(12) 2_766 .
O2 Ti1 O12 C20' -52.1(12) . .
O4 Ti1 O12 C20' 39.1(12) . .
O6 Ti1 O12 C20' -140.3(12) 2_766 .
O17 Pb2' O13 C21 156.7(9) . .
O21 Pb2' O13 C21 82.6(12) 2_665 .
O22 Pb2' O13 C21 -120.1(9) . .
O21 Pb2' O13 C21 23.5(10) . .
O17 Pb2' O13 Pb2 -155.3(7) . .
O21 Pb2' O13 Pb2 130.7(7) 2_665 .
O22 Pb2' O13 Pb2 -72.1(7) . .
O21 Pb2' O13 Pb2 71.5(5) . .
O22 Pb2 O13 C21 -119.7(7) . .
O15 Pb2 O13 C21 -45.2(7) . .
O20 Pb2 O13 C21 -158.5(6) . .
O21 Pb2 O13 C21 100.8(7) 2_665 .
O21 Pb2 O13 C21 36.6(7) . .
O23 Pb2 O13 C21 -1.9(9) . .
O17 Pb2 O13 C21 160.8(7) . .
O22 Pb2 O13 Pb2' 101.0(6) . .
O15 Pb2 O13 Pb2' 175.5(6) . .
O20 Pb2 O13 Pb2' 62.3(7) . .
O21 Pb2 O13 Pb2' -38.5(6) 2_665 .
O21 Pb2 O13 Pb2' -102.7(6) . .
O23 Pb2 O13 Pb2' -141.2(6) . .
O17 Pb2 O13 Pb2' 21.6(6) . .
O21 Ti2 O14 C21 -7.9(6) . .
O18 Ti2 O14 C21 175.1(7) 2_665 .
O19 Ti2 O14 C21 -109.8(6) 2_665 .
O16 Ti2 O14 C21 92.7(6) . .
O24 Ti2 O14 C21 170.4(6) . .
O22 Pb2 O15 C23 154.1(7) . .
O20 Pb2 O15 C23 -141.7(6) . .
O21 Pb2 O15 C23 -37.3(8) 2_665 .
O13 Pb2 O15 C23 77.7(7) . .
O21 Pb2 O15 C23 7.2(7) . .
O23 Pb2 O15 C23 -76.6(7) . .
O17 Pb2 O15 C23 125.0(7) . .
O21 Ti2 O16 C23 33.7(7) . .
O14 Ti2 O16 C23 -64.6(7) . .
O18 Ti2 O16 C23 131.7(7) 2_665 .
O19 Ti2 O16 C23 -149.9(6) 2_665 .
O24 Ti2 O16 C23 -145.9(7) . .
O13 Pb2' O17 C25 -155.3(7) . .
O21 Pb2' O17 C25 -26.4(8) 2_665 .
O22 Pb2' O17 C25 125.7(7) . .
O21 Pb2' O17 C25 -87.3(9) . .
O13 Pb2' O17 Pb2 146.8(8) . .
O21 Pb2' O17 Pb2 -84.2(7) 2_665 .
O22 Pb2' O17 Pb2 67.8(8) . .
O21 Pb2' O17 Pb2 -145.1(9) . .
O22 Pb2 O17 C25 125.3(7) . .
O15 Pb2 O17 C25 153.8(6) . .
O20 Pb2 O17 C25 47.9(6) . .
O21 Pb2 O17 C25 -36.9(6) 2_665 .
O13 Pb2 O17 C25 -157.8(7) . .
O21 Pb2 O17 C25 -99.4(6) . .
O23 Pb2 O17 C25 6.4(8) . .
O22 Pb2 O17 Pb2' -106.8(8) . .
O15 Pb2 O17 Pb2' -78.3(8) . .
O20 Pb2 O17 Pb2' 175.8(8) . .
O21 Pb2 O17 Pb2' 91.0(8) 2_665 .
O13 Pb2 O17 Pb2' -30.0(7) . .
O21 Pb2 O17 Pb2' 28.5(7) . .
O23 Pb2 O17 Pb2' 134.2(8) . .
O22 Pb2 O20 C27 -165.4(6) . .
O15 Pb2 O20 C27 131.5(6) . .
O21 Pb2 O20 C27 -14.3(6) 2_665 .
O13 Pb2 O20 C27 -126.7(6) . .
O21 Pb2 O20 C27 25.8(8) . .
O23 Pb2 O20 C27 67.7(6) . .
O17 Pb2 O20 C27 -85.6(6) . .
O14 Ti2 O21 Pb2' -138.4(6) . 2_665
O18 Ti2 O21 Pb2' 40.7(6) 2_665 2_665
O19 Ti2 O21 Pb2' -48.7(6) 2_665 2_665
O16 Ti2 O21 Pb2' 129.9(6) . 2_665
O14 Ti2 O21 Pb2 -124.6(3) . 2_665
O18 Ti2 O21 Pb2 54.6(4) 2_665 2_665
O19 Ti2 O21 Pb2 -34.9(4) 2_665 2_665
O16 Ti2 O21 Pb2 143.8(3) . 2_665
O14 Ti2 O21 Pb2 53.2(4) . .
O18 Ti2 O21 Pb2 -127.6(3) 2_665 .
O19 Ti2 O21 Pb2 142.9(3) 2_665 .
O16 Ti2 O21 Pb2 -38.4(4) . .
O14 Ti2 O21 Pb2' 39.5(6) . .
O18 Ti2 O21 Pb2' -141.4(6) 2_665 .
O19 Ti2 O21 Pb2' 129.2(6) 2_665 .
O16 Ti2 O21 Pb2' -52.2(6) . .
O22 Pb2 O21 Ti2 -23.2(6) . .
O15 Pb2 O21 Ti2 26.2(4) . .
O20 Pb2 O21 Ti2 141.0(3) . .
O21 Pb2 O21 Ti2 -178.2(5) 2_665 .
O13 Pb2 O21 Ti2 -57.4(3) . .
O23 Pb2 O21 Ti2 100.2(4) . .
O17 Pb2 O21 Ti2 -119.4(3) . .
O22 Pb2 O21 Pb2' 166.2(6) . 2_665
O15 Pb2 O21 Pb2' -144.4(5) . 2_665
O20 Pb2 O21 Pb2' -29.6(4) . 2_665
O21 Pb2 O21 Pb2' 11.2(3) 2_665 2_665
O13 Pb2 O21 Pb2' 132.0(5) . 2_665
O23 Pb2 O21 Pb2' -70.3(4) . 2_665
O17 Pb2 O21 Pb2' 70.0(4) . 2_665
O22 Pb2 O21 Pb2 155.0(4) . 2_665
O15 Pb2 O21 Pb2 -155.6(2) . 2_665
O20 Pb2 O21 Pb2 -40.8(4) . 2_665
O21 Pb2 O21 Pb2 0.0 2_665 2_665
O13 Pb2 O21 Pb2 120.8(2) . 2_665
O23 Pb2 O21 Pb2 -81.5(2) . 2_665
O17 Pb2 O21 Pb2 58.8(2) . 2_665
O22 Pb2 O21 Pb2' 81.0(5) . .
O15 Pb2 O21 Pb2' 130.4(4) . .
O20 Pb2 O21 Pb2' -114.8(6) . .
O21 Pb2 O21 Pb2' -74.0(4) 2_665 .
O13 Pb2 O21 Pb2' 46.8(4) . .
O23 Pb2 O21 Pb2' -155.5(4) . .
O17 Pb2 O21 Pb2' -15.2(4) . .
O17 Pb2' O21 Ti2 -117.3(4) . .
O13 Pb2' O21 Ti2 -42.3(7) . .
O21 Pb2' O21 Ti2 -178.3(5) 2_665 .
O22 Pb2' O21 Ti2 13.0(13) . .
O17 Pb2' O21 Pb2' 61.0(3) . 2_665
O13 Pb2' O21 Pb2' 136.0(6) . 2_665
O21 Pb2' O21 Pb2' 0.0 2_665 2_665
O22 Pb2' O21 Pb2' -168.7(12) . 2_665
O17 Pb2' O21 Pb2 50.0(4) . 2_665
O13 Pb2' O21 Pb2 125.0(3) . 2_665
O21 Pb2' O21 Pb2 -11.0(3) 2_665 2_665
O22 Pb2' O21 Pb2 -179.7(9) . 2_665
O17 Pb2' O21 Pb2 158.3(6) . .
O13 Pb2' O21 Pb2 -126.7(5) . .
O21 Pb2' O21 Pb2 97.3(5) 2_665 .
O22 Pb2' O21 Pb2 -71.4(10) . .
O15 Pb2 O22 C32' 146.6(13) . .
O20 Pb2 O22 C32' 26.5(12) . .
O21 Pb2 O22 C32' -23.1(14) 2_665 .
O13 Pb2 O22 C32' -128.9(13) . .
O21 Pb2 O22 C32' -162.1(12) . .
O23 Pb2 O22 C32' 88.7(12) . .
O17 Pb2 O22 C32' -50.3(12) . .
O15 Pb2 O22 C32 167.9(12) . .
O20 Pb2 O22 C32 47.8(12) . .
O21 Pb2 O22 C32 -1.7(14) 2_665 .
O13 Pb2 O22 C32 -107.6(12) . .
O21 Pb2 O22 C32 -140.7(12) . .
O23 Pb2 O22 C32 110.1(12) . .
O17 Pb2 O22 C32 -28.9(12) . .
O15 Pb2 O22 C29' -43.7(12) . .
O20 Pb2 O22 C29' -163.8(13) . .
O21 Pb2 O22 C29' 146.7(12) 2_665 .
O13 Pb2 O22 C29' 40.8(12) . .
O21 Pb2 O22 C29' 7.6(14) . .
O23 Pb2 O22 C29' -101.6(12) . .
O17 Pb2 O22 C29' 119.4(13) . .
O15 Pb2 O22 C29 -19.5(11) . .
O20 Pb2 O22 C29 -139.6(11) . .
O21 Pb2 O22 C29 170.8(10) 2_665 .
O13 Pb2 O22 C29 65.0(11) . .
O21 Pb2 O22 C29 31.8(12) . .
O23 Pb2 O22 C29 -77.4(11) . .
O17 Pb2 O22 C29 143.6(11) . .
O15 Pb2 O22 Pb2' -131.5(4) . .
O20 Pb2 O22 Pb2' 108.4(4) . .
O21 Pb2 O22 Pb2' 58.9(6) 2_665 .
O13 Pb2 O22 Pb2' -47.0(4) . .
O21 Pb2 O22 Pb2' -80.2(5) . .
O23 Pb2 O22 Pb2' 170.6(5) . .
O17 Pb2 O22 Pb2' 31.6(4) . .
O17 Pb2' O22 C32' -38.1(12) . .
O13 Pb2' O22 C32' -129.2(11) . .
O21 Pb2' O22 C32' 17.5(19) 2_665 .
O21 Pb2' O22 C32' 177.3(12) . .
O17 Pb2' O22 C32 -16.9(12) . .
O13 Pb2' O22 C32 -108.0(11) . .
O21 Pb2' O22 C32 38.6(19) 2_665 .
O21 Pb2' O22 C32 -161.5(12) . .
O17 Pb2' O22 C29' 116.5(12) . .
O13 Pb2' O22 C29' 25.3(13) . .
O21 Pb2' O22 C29' 172.0(14) 2_665 .
O21 Pb2' O22 C29' -28.2(17) . .
O17 Pb2' O22 C29 141.8(11) . .
O13 Pb2' O22 C29 50.6(12) . .
O21 Pb2' O22 C29 -162.7(14) 2_665 .
O21 Pb2' O22 C29 -2.9(16) . .
O17 Pb2' O22 Pb2 -142.9(6) . .
O13 Pb2' O22 Pb2 125.9(5) . .
O21 Pb2' O22 Pb2 -87.4(14) 2_665 .
O21 Pb2' O22 Pb2 72.4(8) . .
O22 Pb2 O23 C36' 113.3(12) . .
O15 Pb2 O23 C36' 55.5(12) . .
O20 Pb2 O23 C36' 175.2(12) . .
O21 Pb2 O23 C36' -102.9(12) 2_665 .
O13 Pb2 O23 C36' 10.5(13) . .
O21 Pb2 O23 C36' -25.7(12) . .
O17 Pb2 O23 C36' -143.5(12) . .
O22 Pb2 O23 C33 -88.4(13) . .
O15 Pb2 O23 C33 -146.2(13) . .
O20 Pb2 O23 C33 -26.5(13) . .
O21 Pb2 O23 C33 55.4(13) 2_665 .
O13 Pb2 O23 C33 168.8(13) . .
O21 Pb2 O23 C33 132.6(13) . .
O17 Pb2 O23 C33 14.8(14) . .
O22 Pb2 O23 C33' -68.3(13) . .
O15 Pb2 O23 C33' -126.1(13) . .
O20 Pb2 O23 C33' -6.4(13) . .
O21 Pb2 O23 C33' 75.5(13) 2_665 .
O13 Pb2 O23 C33' -171.2(13) . .
O21 Pb2 O23 C33' 152.7(13) . .
O17 Pb2 O23 C33' 34.9(13) . .
O22 Pb2 O23 C36 92.8(12) . .
O15 Pb2 O23 C36 35.1(12) . .
O20 Pb2 O23 C36 154.7(12) . .
O21 Pb2 O23 C36 -123.3(12) 2_665 .
O13 Pb2 O23 C36 -10.0(13) . .
O21 Pb2 O23 C36 -46.1(12) . .
O17 Pb2 O23 C36 -164.0(11) . .
O14 Ti2 O24 C37' 35.1(8) . .
O18 Ti2 O24 C37' -143.6(8) 2_665 .
O19 Ti2 O24 C37' -54.5(8) 2_665 .
O16 Ti2 O24 C37' 127.1(8) . .
O14 Ti2 O24 C40' -141.5(7) . .
O18 Ti2 O24 C40' 39.9(7) 2_665 .
O19 Ti2 O24 C40' 129.0(7) 2_665 .
O16 Ti2 O24 C40' -49.5(7) . .
O14 Ti2 O24 C40 149.1(8) . .
O18 Ti2 O24 C40 -29.5(8) 2_665 .
O19 Ti2 O24 C40 59.6(8) 2_665 .
O16 Ti2 O24 C40 -118.9(8) . .
O14 Ti2 O24 C37 -30.3(7) . .
O18 Ti2 O24 C37 151.0(7) 2_665 .
O19 Ti2 O24 C37 -119.9(7) 2_665 .
O16 Ti2 O24 C37 61.7(7) . .
Pb1 O1 C1 O2 -14.2(11) . .
Pb1 O1 C1 C2 167.5(4) . .
Ti1 O2 C1 O1 -16.9(12) . .
Ti1 O2 C1 C2 161.4(5) . .
O1 C1 C2 F2' 95.6(12) . .
O2 C1 C2 F2' -82.9(12) . .
O1 C1 C2 F1 -56.1(12) . .
O2 C1 C2 F1 125.3(11) . .
O1 C1 C2 F3 177.7(11) . .
O2 C1 C2 F3 -0.8(12) . .
O1 C1 C2 F1' -28.2(11) . .
O2 C1 C2 F1' 153.3(9) . .
O1 C1 C2 F2 60.7(11) . .
O2 C1 C2 F2 -117.8(9) . .
O1 C1 C2 F3' -142.7(10) . .
O2 C1 C2 F3' 38.7(11) . .
Pb1 O3 C3 O4 -37.1(12) . .
Pb1 O3 C3 C4 144.3(6) . .
Ti1 O4 C3 O3 -5.3(13) . .
Ti1 O4 C3 C4 173.3(5) . .
O3 C3 C4 F4 0.9(13) . .
O4 C3 C4 F4 -177.9(10) . .
O3 C3 C4 F6' 95.6(18) . .
O4 C3 C4 F6' -83.2(18) . .
O3 C3 C4 F6 121.5(11) . .
O4 C3 C4 F6 -57.3(11) . .
O3 C3 C4 F4' -22.7(19) . .
O4 C3 C4 F4' 158.5(17) . .
O3 C3 C4 F5 -120.5(10) . .
O4 C3 C4 F5 60.7(10) . .
Pb1 O5 C5 O6 33.1(12) . .
Pb1 O5 C5 C6 -149.8(5) . .
Ti1 O6 C5 O5 1.5(12) 2_766 .
Ti1 O6 C5 C6 -175.7(4) 2_766 .
O5 C5 C6 F8 112.3(8) . .
O6 C5 C6 F8 -70.2(9) . .
O5 C5 C6 F9 -125.6(9) . .
O6 C5 C6 F9 51.9(9) . .
O5 C5 C6 F7' 49.8(14) . .
O6 C5 C6 F7' -132.7(12) . .
O5 C5 C6 F9' -72.2(12) . .
O6 C5 C6 F9' 105.3(11) . .
O5 C5 C6 F7 -5.4(10) . .
O6 C5 C6 F7 172.1(7) . .
O5 C5 C6 F8' 171.7(11) . .
O6 C5 C6 F8' -10.8(12) . .
Pb1 O8 C7 O7 17.3(11) . .
Pb1 O8 C7 C8 -165.9(5) . .
Ti1 O7 C7 O8 12.1(12) 2_766 .
Ti1 O7 C7 C8 -164.8(5) 2_766 .
O8 C7 C8 F12' -149.8(11) . .
O7 C7 C8 F12' 27.5(12) . .
O8 C7 C8 F11 18.3(10) . .
O7 C7 C8 F11 -164.4(7) . .
O8 C7 C8 F12 152.0(8) . .
O7 C7 C8 F12 -30.7(10) . .
O8 C7 C8 F10' -10.7(12) . .
O7 C7 C8 F10' 166.6(9) . .
O8 C7 C8 F11' 98.8(10) . .
O7 C7 C8 F11' -83.9(9) . .
O8 C7 C8 F10 -94.0(8) . .
C9 O10 C12 C11 -22.5(19) . .
Pb1 O10 C12 C11 139.3(12) . .
C13' O11 C13 C14 54.7(15) . .
C16' O11 C13 C14 -63.8(17) . .
C16 O11 C13 C14 3.4(19) . .
Pb1 O11 C13 C14 156.7(11) . .
C13' O11 C16 C15 -46.5(14) . .
C13 O11 C16 C15 -17.4(18) . .
C16' O11 C16 C15 66.9(14) . .
Pb1 O11 C16 C15 -172.3(10) . .
C20' O12 C17 C18 20.6(19) . .
Ti1 O12 C17 C18 -179.0(12) . .
Ti1 O12 C20 C19 178.8(12) . .
Pb1 O10 C9' C10' -158(2) . .
Pb1 O10 C12' C11' 147.4(12) . .
C13 O11 C13' C14' -96.1(15) . .
C16' O11 C13' C14' -28.2(17) . .
C16 O11 C13' C14' 35.6(14) . .
Pb1 O11 C13' C14' 157.9(10) . .
O11 C13' C14' C15' 31.3(18) . .
C13' C14' C15' C16' -23(2) . .
C13' O11 C16' C15' 13.7(19) . .
C13 O11 C16' C15' 48.6(15) . .
C16 O11 C16' C15' -60.2(13) . .
Pb1 O11 C16' C15' -172.6(10) . .
C20 O12 C17' C18' -1.1(18) . .
C20' O12 C17' C18' 14.1(18) . .
Ti1 O12 C17' C18' -170.2(10) . .
O12 C17' C18' C19' -28.9(18) . .
C17' C18' C19' C20' 32.8(19) . .
C17 O12 C20' C19' -8.9(18) . .
C17' O12 C20' C19' 6.5(19) . .
C20 O12 C20' C19' 101(4) . .
Ti1 O12 C20' C19' -169.1(10) . .
C18' C19' C20' O12 -24.3(19) . .
Pb2' O13 C21 O14 -4.3(14) . .
Pb2 O13 C21 O14 -14.0(12) . .
Pb2' O13 C21 C22 177.8(7) . .
Pb2 O13 C21 C22 168.1(4) . .
Ti2 O14 C21 O13 -12.3(11) . .
Ti2 O14 C21 C22 165.7(4) . .
O13 C21 C22 F13 -167.3(6) . .
O14 C21 C22 F13 14.4(8) . .
O13 C21 C22 F14 -46.2(8) . .
O14 C21 C22 F14 135.5(6) . .
O13 C21 C22 F15 72.4(8) . .
O14 C21 C22 F15 -105.9(6) . .
Pb2 O15 C23 O16 -17.0(12) . .
Pb2 O15 C23 C24 161.2(5) . .
Ti2 O16 C23 O15 -5.7(12) . .
Ti2 O16 C23 C24 175.9(5) . .
O15 C23 C24 F17 -97.1(8) . .
O16 C23 C24 F17 81.4(8) . .
O15 C23 C24 F18 23.2(9) . .
O16 C23 C24 F18 -158.2(6) . .
O15 C23 C24 F16 141.8(7) . .
O16 C23 C24 F16 -39.7(9) . .
Pb2' O17 C25 O18 9.2(13) . .
Pb2 O17 C25 O18 17.1(11) . .
Pb2' O17 C25 C26 -173.1(6) . .
Pb2 O17 C25 C26 -165.2(4) . .
Ti2 O18 C25 O17 6.9(11) 2_665 .
Ti2 O18 C25 C26 -170.9(4) 2_665 .
O17 C25 C26 F20 159.2(6) . .
O18 C25 C26 F20 -22.7(8) . .
O17 C25 C26 F19 38.1(8) . .
O18 C25 C26 F19 -143.8(6) . .
O17 C25 C26 F21 -81.7(8) . .
O18 C25 C26 F21 96.3(7) . .
Pb2 O20 C27 O19 18.3(10) . .
Pb2 O20 C27 C28 -159.8(4) . .
Ti2 O19 C27 O20 13.7(10) 2_665 .
Ti2 O19 C27 C28 -168.1(4) 2_665 .
O20 C27 C28 F24 85.2(6) . .
O19 C27 C28 F24 -93.2(6) . .
O20 C27 C28 F22 -155.0(5) . .
O19 C27 C28 F22 26.6(7) . .
O20 C27 C28 F23 -34.2(7) . .
O19 C27 C28 F23 147.4(5) . .
C32' O22 C29 C30 7(2) . .
C32 O22 C29 C30 -12.2(19) . .
C29' O22 C29 C30 -75(2) . .
Pb2 O22 C29 C30 174.1(11) . .
Pb2' O22 C29 C30 -173.0(12) . .
O22 C29 C30 C31 26.5(19) . .
C29 C30 C31 C32 -31(2) . .
C32' O22 C32 C31 -114(4) . .
C29' O22 C32 C31 11.2(19) . .
C29 O22 C32 C31 -7(2) . .
Pb2 O22 C32 C31 166.1(12) . .
Pb2' O22 C32 C31 154.5(13) . .
Pb2 O23 C33 C34 -174.9(15) . .
Pb2 O23 C36 C35 155.8(15) . .
C37' O24 C37 C38 62.5(11) . .
C40' O24 C37 C38 -55.6(11) . .
C40 O24 C37 C38 -2.1(13) . .
Ti2 O24 C37 C38 177.4(8) . .
O24 C37 C38 C39 20.2(15) . .
C37 C38 C39 C40 -30.1(16) . .
C37' O24 C40 C39 -62.7(10) . .
C40' O24 C40 C39 58.8(10) . .
C37 O24 C40 C39 -16.5(13) . .
Ti2 O24 C40 C39 164.0(8) . .
C38 C39 C40 O24 28.7(14) . .
Pb2 O22 C29' C30' -167.4(12) . .
Pb2' O22 C29' C30' -153.4(13) . .
Pb2 O22 C32' C31' 167.3(15) . .
Pb2' O22 C32' C31' 154.3(15) . .
Pb2 O23 C33' C34' 179.6(15) . .
Pb2 O23 C36' C35' 159.7(15) . .
C40' O24 C37' C38' -1.4(14) . .
C40 O24 C37' C38' 47.8(11) . .
C37 O24 C37' C38' -72.2(10) . .
Ti2 O24 C37' C38' -178.2(8) . .
O24 C37' C38' C39' 21.8(15) . .
C37' C38' C39' C40' -33.7(15) . .
C37' O24 C40' C39' -19.8(13) . .
C40 O24 C40' C39' -84.6(10) . .
C37 O24 C40' C39' 28.6(10) . .
Ti2 O24 C40' C39' 157.3(8) . .
C38' C39' C40' O24 32.5(14) . .
