#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:32:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179484 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/81/4338181.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_4338181
loop_
_publ_author_name
'Lieberman, Craig M.'
'Navulla, Anantharamulu'
'Zhang, Haitao'
'Filatov, Alexander S.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 Mixed-ligand approach to design of heterometallic single-source
 precursors with discrete molecular structure.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4733
_journal_page_last               4738
_journal_paper_doi               10.1021/ic5004885
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
;
 C20 H16 F12 Fe O8 Pb
;
_chemical_formula_sum            'C20 H16 F12 Fe O8 Pb'
_chemical_formula_weight         875.37
_chemical_melting_point          ?
_chemical_name_systematic
; 
 catena-(di(trifluoroacetylacetonate)-iron(II)-
 di(trifluoroacetylacetonate)-lead(II))
;
_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                96.50(3)
_cell_angle_beta                 110.97(3)
_cell_angle_gamma                115.89(3)
_cell_formula_units_Z            2
_cell_length_a                   10.892(2)
_cell_length_b                   12.228(2)
_cell_length_c                   13.206(3)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.36
_cell_measurement_theta_min      2.42
_cell_volume                     1399.5(9)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_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  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11593
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    6.647
_exptl_absorpt_correction_T_max  0.5861
_exptl_absorpt_correction_T_min  0.1358
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         4.271
_refine_diff_density_min         -2.430
_refine_diff_density_rms         0.278
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         6204
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1127P)²+3.9902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1504
_refine_ls_wR_factor_ref         0.1532
_reflns_number_gt                5837
_reflns_number_total             6204
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5004885_si_002.cif
_cod_data_source_block           PbFe(tfac)4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338180--4338183.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4338181
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 0.32083(2) 0.74694(2) 0.247230(17) 0.02815(12) Uani 1 1 d . . .
Fe2 Fe 0.0000 0.5000 0.0000 0.0256(3) Uani 1 2 d S . .
Fe3 Fe 0.5000 1.0000 0.5000 0.0289(3) Uani 1 2 d S . .
O1 O 0.5277(6) 0.8347(5) 0.4478(4) 0.0338(10) Uani 1 1 d . . .
O2 O 0.3815(6) 0.5880(5) 0.2730(5) 0.0383(11) Uani 1 1 d . A .
O3 O 0.2511(5) 0.6172(5) 0.0530(4) 0.0305(9) Uani 1 1 d . . .
O4 O 0.5452(6) 0.8402(5) 0.2273(5) 0.0405(12) Uani 1 1 d . B .
O5 O 0.0186(6) 0.6762(5) 0.0326(5) 0.0343(11) Uani 1 1 d . . .
O6 O 0.0537(5) 0.5058(4) 0.1656(4) 0.0306(9) Uani 1 1 d . . .
O7 O 0.2740(6) 0.8690(5) 0.4392(4) 0.0348(11) Uani 1 1 d . . .
O8 O 0.4676(6) 1.0191(5) 0.3412(4) 0.0356(11) Uani 1 1 d . C .
C1 C 0.7615(10) 0.8913(9) 0.6091(8) 0.053(2) Uani 1 1 d . . .
H1A H 0.7520 0.9643 0.6350 0.079 Uiso 1 1 calc R . .
H1B H 0.8578 0.9226 0.6038 0.079 Uiso 1 1 calc R . .
H1C H 0.7611 0.8436 0.6640 0.079 Uiso 1 1 calc R . .
C2 C 0.6277(9) 0.8035(8) 0.4924(7) 0.0383(16) Uani 1 1 d . . .
C3 C 0.6222(9) 0.6930(8) 0.4416(8) 0.0442(18) Uani 1 1 d . A .
H3 H 0.7079 0.6838 0.4788 0.053 Uiso 1 1 calc R . .
C4 C 0.5010(9) 0.5961(8) 0.3408(7) 0.0391(16) Uani 1 1 d . . .
C5 C 0.5072(10) 0.4745(8) 0.3048(8) 0.0434(17) Uani 1 1 d D A 1
F1 F 0.6562(11) 0.5035(11) 0.3390(10) 0.053(3) Uiso 0.50 1 d PD A 1
F2 F 0.4399(17) 0.4233(13) 0.1912(8) 0.049(3) Uiso 0.50 1 d PD A 1
F3 F 0.4448(17) 0.3883(12) 0.3482(12) 0.064(3) Uiso 0.50 1 d PD A 1
F1X F 0.6314(15) 0.4721(15) 0.3736(12) 0.073(4) Uiso 0.50 1 d PD A 2
F2X F 0.486(2) 0.4456(17) 0.1993(10) 0.070(5) Uiso 0.50 1 d PD A 2
F3X F 0.3875(14) 0.3714(10) 0.3061(11) 0.053(3) Uiso 0.50 1 d PD A 2
C6 C 0.2652(11) 0.4957(10) -0.0917(8) 0.054(2) Uani 1 1 d . . .
H6A H 0.1547 0.4443 -0.1170 0.081 Uiso 1 1 calc R . .
H6B H 0.3107 0.4423 -0.0741 0.081 Uiso 1 1 calc R . .
H6C H 0.2833 0.5280 -0.1526 0.081 Uiso 1 1 calc R . .
C7 C 0.3372(9) 0.6066(8) 0.0135(6) 0.0359(15) Uani 1 1 d . . .
C8 C 0.4973(10) 0.6910(9) 0.0623(8) 0.0443(18) Uani 1 1 d . B .
H8 H 0.5508 0.6734 0.0259 0.053 Uiso 1 1 calc R . .
C9 C 0.5823(9) 0.7982(8) 0.1598(7) 0.0417(16) Uani 1 1 d . . .
C10 C 0.7548(12) 0.8827(10) 0.1955(10) 0.062(3) Uani 1 1 d D B 1
F4 F 0.8109(18) 0.8278(15) 0.1450(15) 0.055(3) Uiso 0.40 1 d PD B 1
F5 F 0.8376(15) 0.9141(17) 0.3119(9) 0.050(3) Uiso 0.40 1 d PD B 1
F6 F 0.7839(19) 0.9938(14) 0.1766(18) 0.053(3) Uiso 0.40 1 d PD B 1
F4X F 0.823(2) 0.8124(17) 0.1901(19) 0.054(5) Uiso 0.30 1 d PD B 2
F5X F 0.839(3) 0.965(3) 0.3024(16) 0.080(7) Uiso 0.30 1 d PD B 2
F6X F 0.778(4) 0.956(3) 0.130(3) 0.102(10) Uiso 0.30 1 d PD B 2
F4Y F 0.789(3) 0.864(2) 0.1059(17) 0.072(6) Uiso 0.30 1 d PD B 3
F5Y F 0.841(3) 0.861(3) 0.282(2) 0.086(7) Uiso 0.30 1 d PD B 3
F6Y F 0.813(3) 1.0078(15) 0.228(2) 0.068(6) Uiso 0.30 1 d PD B 3
C11 C 0.0321(15) 0.8698(9) 0.0153(11) 0.065(3) Uani 1 1 d . . .
H11A H 0.0503 0.8827 0.0951 0.098 Uiso 1 1 calc R . .
H11B H -0.0605 0.8716 -0.0293 0.098 Uiso 1 1 calc R . .
H11C H 0.1201 0.9383 0.0120 0.098 Uiso 1 1 calc R . .
C12 C 0.0110(9) 0.7426(8) -0.0334(8) 0.0422(17) Uani 1 1 d . . .
C13 C 0.0177(9) 0.2960(8) 0.1483(7) 0.0414(17) Uani 1 1 d . . .
H13 H 0.0152 0.2368 0.1895 0.050 Uiso 1 1 calc R . .
C14 C 0.0491(8) 0.4134(7) 0.2040(6) 0.0357(15) Uani 1 1 d . . .
C15 C 0.0785(10) 0.4418(9) 0.3281(7) 0.0474(19) Uani 1 1 d . . .
F7 F -0.0474(7) 0.4333(6) 0.3350(5) 0.0637(15) Uani 1 1 d . . .
F8 F 0.1934(7) 0.5608(6) 0.3934(4) 0.0672(17) Uani 1 1 d . . .
F9 F 0.1042(11) 0.3593(8) 0.3777(6) 0.085(2) Uani 1 1 d . . .
C16 C 0.0283(10) 0.7367(10) 0.4266(9) 0.058(2) Uani 1 1 d . . .
H16A H -0.0038 0.7378 0.3475 0.087 Uiso 1 1 calc R . .
H16B H -0.0162 0.7728 0.4626 0.087 Uiso 1 1 calc R . .
H16C H -0.0071 0.6480 0.4269 0.087 Uiso 1 1 calc R . .
C17 C 0.2017(9) 0.8161(7) 0.4928(7) 0.0379(15) Uani 1 1 d . . .
C18 C 0.2727(10) 0.8275(8) 0.6108(7) 0.0460(18) Uani 1 1 d . . .
H18 H 0.2098 0.7782 0.6421 0.055 Uiso 1 1 calc R . .
C19 C 0.5733(10) 1.0941(7) 0.3190(7) 0.0402(17) Uani 1 1 d . . .
C20 C 0.5085(12) 1.0972(10) 0.1951(7) 0.055(2) Uani 1 1 d D C 1
F10 F 0.467(2) 1.1816(15) 0.1876(15) 0.078(5) Uiso 0.50 1 d PD C 1
F11 F 0.3915(14) 0.9820(10) 0.1206(10) 0.049(3) Uiso 0.50 1 d PD C 1
F12 F 0.6192(13) 1.1295(14) 0.1581(11) 0.059(3) Uiso 0.50 1 d PD C 1
F10X F 0.4152(17) 1.1486(14) 0.1826(11) 0.056(3) Uiso 0.50 1 d PD C 2
F11X F 0.4271(17) 0.9809(10) 0.1198(11) 0.052(4) Uiso 0.50 1 d PD C 2
F12X F 0.6126(15) 1.1757(14) 0.1665(12) 0.070(4) Uiso 0.50 1 d PD C 2
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'
Fe Fe 0.3463 0.8444 '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
O4 Pb1 O2 82.4(2) . .
O4 Pb1 O1 76.55(19) . .
O2 Pb1 O1 74.56(18) . .
O4 Pb1 O3 74.79(18) . .
O2 Pb1 O3 72.94(17) . .
O1 Pb1 O3 138.86(17) . .
O4 Pb1 O6 138.20(17) . .
O2 Pb1 O6 69.33(17) . .
O1 Pb1 O6 121.64(15) . .
O3 Pb1 O6 67.94(16) . .
O4 Pb1 O8 72.22(18) . .
O2 Pb1 O8 137.77(17) . .
O1 Pb1 O8 67.12(16) . .
O3 Pb1 O8 128.53(15) . .
O6 Pb1 O8 147.85(15) . .
O4 Pb1 O7 124.45(17) . .
O2 Pb1 O7 116.89(17) . .
O1 Pb1 O7 62.13(16) . .
O3 Pb1 O7 158.01(15) . .
O6 Pb1 O7 96.19(14) . .
O8 Pb1 O7 58.74(14) . .
O4 Pb1 O5 115.99(18) . .
O2 Pb1 O5 118.68(16) . .
O1 Pb1 O5 161.74(16) . .
O3 Pb1 O5 59.39(15) . .
O6 Pb1 O5 58.78(14) . .
O8 Pb1 O5 102.83(15) . .
O7 Pb1 O5 99.70(14) . .
O6 Fe2 O6 180.0(3) 2_565 .
O6 Fe2 O5 88.2(2) 2_565 .
O6 Fe2 O5 91.8(2) . .
O6 Fe2 O5 91.8(2) 2_565 2_565
O6 Fe2 O5 88.2(2) . 2_565
O5 Fe2 O5 180.00(6) . 2_565
O6 Fe2 O3 88.32(18) 2_565 2_565
O6 Fe2 O3 91.68(18) . 2_565
O5 Fe2 O3 96.6(2) . 2_565
O5 Fe2 O3 83.4(2) 2_565 2_565
O6 Fe2 O3 91.68(18) 2_565 .
O6 Fe2 O3 88.32(18) . .
O5 Fe2 O3 83.4(2) . .
O5 Fe2 O3 96.6(2) 2_565 .
O3 Fe2 O3 180.0 2_565 .
O6 Fe2 Pb1 52.84(13) 2_565 2_565
O6 Fe2 Pb1 127.16(13) . 2_565
O5 Fe2 Pb1 117.60(15) . 2_565
O5 Fe2 Pb1 62.40(16) 2_565 2_565
O3 Fe2 Pb1 45.27(12) 2_565 2_565
O3 Fe2 Pb1 134.73(12) . 2_565
O6 Fe2 Pb1 127.16(13) 2_565 .
O6 Fe2 Pb1 52.84(13) . .
O5 Fe2 Pb1 62.40(15) . .
O5 Fe2 Pb1 117.60(16) 2_565 .
O3 Fe2 Pb1 134.73(12) 2_565 .
O3 Fe2 Pb1 45.27(12) . .
Pb1 Fe2 Pb1 180.000(6) 2_565 .
O7 Fe3 O7 180.0(2) . 2_676
O7 Fe3 O8 91.7(2) . .
O7 Fe3 O8 88.3(2) 2_676 .
O7 Fe3 O8 88.3(2) . 2_676
O7 Fe3 O8 91.7(2) 2_676 2_676
O8 Fe3 O8 180.000(2) . 2_676
O7 Fe3 O1 93.2(2) . 2_676
O7 Fe3 O1 86.8(2) 2_676 2_676
O8 Fe3 O1 92.5(2) . 2_676
O8 Fe3 O1 87.5(2) 2_676 2_676
O7 Fe3 O1 86.8(2) . .
O7 Fe3 O1 93.2(2) 2_676 .
O8 Fe3 O1 87.5(2) . .
O8 Fe3 O1 92.5(2) 2_676 .
O1 Fe3 O1 180.000(2) 2_676 .
O7 Fe3 Pb1 61.76(15) . .
O7 Fe3 Pb1 118.24(15) 2_676 .
O8 Fe3 Pb1 54.75(14) . .
O8 Fe3 Pb1 125.25(14) 2_676 .
O1 Fe3 Pb1 134.82(12) 2_676 .
O1 Fe3 Pb1 45.18(12) . .
O7 Fe3 Pb1 118.24(15) . 2_676
O7 Fe3 Pb1 61.76(15) 2_676 2_676
O8 Fe3 Pb1 125.25(14) . 2_676
O8 Fe3 Pb1 54.75(14) 2_676 2_676
O1 Fe3 Pb1 45.18(12) 2_676 2_676
O1 Fe3 Pb1 134.82(12) . 2_676
Pb1 Fe3 Pb1 180.0 . 2_676
C2 O1 Fe3 134.7(5) . .
C2 O1 Pb1 129.0(5) . .
Fe3 O1 Pb1 95.23(19) . .
C4 O2 Pb1 130.3(5) . .
C7 O3 Fe2 133.4(5) . .
C7 O3 Pb1 129.5(5) . .
Fe2 O3 Pb1 95.46(17) . .
C9 O4 Pb1 130.7(5) . .
C12 O5 Fe2 128.5(5) . .
C12 O5 Pb1 124.3(5) . .
Fe2 O5 Pb1 82.27(17) . .
C14 O6 Fe2 125.2(5) . .
C14 O6 Pb1 123.3(4) . .
Fe2 O6 Pb1 91.83(17) . .
C17 O7 Fe3 129.3(5) . .
C17 O7 Pb1 129.7(5) . .
Fe3 O7 Pb1 83.09(17) . .
C19 O8 Fe3 124.8(5) . .
C19 O8 Pb1 120.5(5) . .
Fe3 O8 Pb1 89.25(18) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 124.7(7) . .
O1 C2 C1 117.8(7) . .
C3 C2 C1 117.5(7) . .
C4 C3 C2 125.1(7) . .
C4 C3 H3 117.4 . .
C2 C3 H3 117.4 . .
O2 C4 C3 130.4(8) . .
O2 C4 C5 111.8(7) . .
C3 C4 C5 117.8(7) . .
F3 C5 F2 109.5(11) . .
F3 C5 F1 108.1(10) . .
F2 C5 F1 104.2(10) . .
F3 C5 C4 111.8(9) . .
F2 C5 C4 111.7(8) . .
F1 C5 C4 111.2(8) . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O3 C7 C8 124.7(7) . .
O3 C7 C6 118.1(7) . .
C8 C7 C6 117.2(7) . .
C9 C8 C7 124.7(7) . .
C9 C8 H8 117.6 . .
C7 C8 H8 117.6 . .
O4 C9 C8 131.6(7) . .
O4 C9 C10 111.6(7) . .
C8 C9 C10 116.7(8) . .
F6 C10 F4 109.8(13) . .
F6 C10 F5 105.3(13) . .
F4 C10 F5 107.1(13) . .
F6 C10 C9 109.8(11) . .
F4 C10 C9 114.9(10) . .
F5 C10 C9 109.5(10) . .
C12 C11 H11A 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O5 C12 C13 124.5(7) . 2_565
O5 C12 C11 116.5(8) . .
C13 C12 C11 119.0(8) 2_565 .
C14 C13 C12 124.0(7) . 2_565
C14 C13 H13 118.0 . .
C12 C13 H13 118.0 2_565 .
O6 C14 C13 129.1(7) . .
O6 C14 C15 112.7(7) . .
C13 C14 C15 118.2(7) . .
F8 C15 F9 108.6(8) . .
F8 C15 F7 105.4(8) . .
F9 C15 F7 105.2(7) . .
F8 C15 C14 112.9(7) . .
F9 C15 C14 114.2(8) . .
F7 C15 C14 109.9(7) . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O7 C17 C18 124.3(7) . .
O7 C17 C16 117.2(7) . .
C18 C17 C16 118.5(7) . .
C19 C18 C17 123.3(7) 2_676 .
C19 C18 H18 118.4 2_676 .
C17 C18 H18 118.4 . .
O8 C19 C18 129.6(7) . 2_676
O8 C19 C20 111.9(7) . .
C18 C19 C20 118.4(7) 2_676 .
F10 C20 F11 109.7(13) . .
F10 C20 F12 107.4(12) . .
F11 C20 F12 105.1(11) . .
F10 C20 C19 111.9(11) . .
F11 C20 C19 112.5(9) . .
F12 C20 C19 109.9(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O4 2.332(5) .
Pb1 O2 2.332(5) .
Pb1 O1 2.493(5) .
Pb1 O3 2.510(5) .
Pb1 O6 2.805(5) .
Pb1 O8 2.859(5) .
Pb1 O7 3.106(5) .
Pb1 O5 3.146(6) .
Fe2 O6 2.035(5) 2_565
Fe2 O6 2.035(5) .
Fe2 O5 2.053(5) .
Fe2 O5 2.053(5) 2_565
Fe2 O3 2.237(5) 2_565
Fe2 O3 2.237(5) .
Fe3 O7 2.030(5) .
Fe3 O7 2.030(5) 2_676
Fe3 O8 2.057(5) .
Fe3 O8 2.057(5) 2_676
Fe3 O1 2.240(5) 2_676
Fe3 O1 2.240(5) .
O1 C2 1.278(10) .
O2 C4 1.241(10) .
O3 C7 1.270(9) .
O4 C9 1.248(10) .
O5 C12 1.262(10) .
O6 C14 1.279(9) .
O7 C17 1.264(9) .
O8 C19 1.277(10) .
C1 C2 1.518(11) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.405(12) .
C3 C4 1.392(11) .
C3 H3 0.9500 .
C4 C5 1.547(12) .
C5 F3 1.301(14) .
C5 F2 1.333(13) .
C5 F1 1.378(13) .
C6 C7 1.499(11) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.412(11) .
C8 C9 1.392(12) .
C8 H8 0.9500 .
C9 C10 1.543(12) .
C10 F6 1.329(15) .
C10 F4 1.349(15) .
C10 F5 1.377(15) .
C11 C12 1.497(12) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.412(12) 2_565
C13 C14 1.368(12) .
C13 C12 1.412(12) 2_565
C13 H13 0.9500 .
C14 C15 1.519(11) .
C15 F8 1.334(11) .
C15 F9 1.338(11) .
C15 F7 1.367(11) .
C16 C17 1.516(12) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.428(11) .
C18 C19 1.369(12) 2_676
C18 H18 0.9500 .
C19 C18 1.369(12) 2_676
C19 C20 1.545(11) .
C20 F10 1.298(16) .
C20 F11 1.341(14) .
C20 F12 1.377(14) .
