#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/31/4303100.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_4303100
loop_
_publ_author_name
'Haitao Zhang'
'Jen-Hsien Yang'
'Roman V. Shpanchenko'
'Artem M. Abakumov'
'Joke Hadermann'
'Rodolphe Clérac'
'Evgeny V. Dikarev'
_publ_section_title
;
New Class of Single-Source Precursors for the Synthesis of Main
Group-Transition Metal Oxides: Heterobimetallic Pb-Mn β-Diketonates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8480
_journal_page_last               8488
_journal_paper_doi               10.1021/ic901107s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
;
C30 H6 F36 Mn2 O12 Pb
;
_chemical_formula_sum            'C30 H6 F36 Mn2 O12 Pb'
_chemical_formula_weight         1559.42
_chemical_melting_point          ?
_chemical_name_systematic
; 
 hexa(hexafluoroacetylacetonate)-dimanganese(II)-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                117.96(3)
_cell_angle_beta                 97.64(3)
_cell_angle_gamma                107.01(3)
_cell_formula_units_Z            1
_cell_length_a                   9.5223(19)
_cell_length_b                   12.124(2)
_cell_length_c                   12.224(2)
_cell_measurement_reflns_used    5680
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      2.36
_cell_volume                     1129.4(7)
_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 0.991
_diffrn_measured_fraction_theta_max 0.902
_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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9816
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         1.96
_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    4.474
_exptl_absorpt_correction_T_max  0.8413
_exptl_absorpt_correction_T_min  0.5534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker-AXS 2003)
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.293
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             738
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.517
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         5038
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0612P)²+0.0943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                4570
_reflns_number_total             5038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901107s_si_002_2.cif
_cod_data_source_block           PbMn2(CF3COCHCOCF3)6_(1)
_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 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1129.4(4)
_cod_database_code               4303100
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 0.5000 1.0000 0.5000 0.03108(11) Uani 1 2 d S . .
Mn1 Mn 0.64864(9) 0.90785(8) 0.71115(8) 0.02900(18) Uani 1 1 d . . .
O1 O 0.6974(4) 1.1065(3) 0.7264(3) 0.0309(8) Uani 1 1 d . C .
O2 O 0.8824(5) 1.0164(4) 0.8334(4) 0.0383(9) Uani 1 1 d . A .
O3 O 0.4152(4) 0.8891(4) 0.6295(4) 0.0324(8) Uani 1 1 d . C .
O4 O 0.5390(4) 0.8655(4) 0.8366(4) 0.0376(9) Uani 1 1 d . B .
O5 O 0.6412(4) 0.8487(4) 0.5084(4) 0.0338(8) Uani 1 1 d . C .
O6 O 0.6808(5) 0.7232(4) 0.6468(4) 0.0420(9) Uani 1 1 d . C .
C1 C 0.8051(7) 1.3397(6) 0.7956(6) 0.0424(14) Uani 1 1 d . . .
F1 F 0.9386(5) 1.4334(4) 0.8173(5) 0.0676(12) Uani 1 1 d . . .
F2 F 0.7461(6) 1.4009(4) 0.8880(4) 0.0660(12) Uani 1 1 d . . .
F3 F 0.7081(4) 1.3003(3) 0.6813(3) 0.0490(9) Uani 1 1 d . . .
C2 C 0.8201(6) 1.2165(5) 0.7943(5) 0.0309(11) Uani 1 1 d . C .
C3 C 0.9577(7) 1.2395(6) 0.8710(5) 0.0355(12) Uani 1 1 d . . .
H3 H 1.0415 1.3267 0.9145 0.043 Uiso 1 1 calc R C .
C4 C 0.9761(7) 1.1361(6) 0.8858(5) 0.0352(12) Uani 1 1 d . A .
C5 C 1.1326(8) 1.1741(7) 0.9797(6) 0.0506(16) Uani 1 1 d D A 1
F4 F 1.2482(10) 1.2811(11) 0.9951(12) 0.040(2) Uiso 0.40 1 d PD A 1
F5 F 1.1711(14) 1.0679(10) 0.9427(12) 0.044(3) Uiso 0.40 1 d PD A 1
F6 F 1.1049(14) 1.2076(14) 1.0954(9) 0.044(3) Uiso 0.40 1 d PD . 1
F4X F 1.2527(16) 1.2267(19) 0.9465(17) 0.069(5) Uiso 0.30 1 d PD A 2
F5X F 1.1463(19) 1.0611(12) 0.9701(16) 0.053(5) Uiso 0.30 1 d PD . 2
F6X F 1.155(2) 1.2545(16) 1.0991(12) 0.065(5) Uiso 0.30 1 d PD A 2
F4Y F 1.2283(17) 1.3093(12) 1.0426(16) 0.059(4) Uiso 0.30 1 d PD A 3
F5Y F 1.206(2) 1.1022(17) 0.9143(15) 0.074(5) Uiso 0.30 1 d PD A 3
F6Y F 1.117(2) 1.165(2) 1.0767(16) 0.083(7) Uiso 0.30 1 d PD . 3
C6 C 0.1463(6) 0.8374(6) 0.5720(6) 0.0368(12) Uani 1 1 d . . .
F7 F 0.0536(4) 0.8808(4) 0.6365(4) 0.0524(9) Uani 1 1 d . . .
F8 F 0.0658(4) 0.7054(4) 0.4794(4) 0.0521(9) Uani 1 1 d . . .
F9 F 0.1795(4) 0.9033(4) 0.5096(4) 0.0471(8) Uani 1 1 d . . .
C7 C 0.2940(6) 0.8567(5) 0.6599(5) 0.0317(11) Uani 1 1 d . C .
C8 C 0.2779(6) 0.8302(6) 0.7559(6) 0.0354(12) Uani 1 1 d . . .
H8 H 0.1805 0.8108 0.7704 0.042 Uiso 1 1 calc R C .
C9 C 0.4013(7) 0.8308(5) 0.8333(5) 0.0322(11) Uani 1 1 d . B .
C10 C 0.3648(7) 0.7754(6) 0.9210(6) 0.0425(14) Uani 1 1 d D B 1
F10 F 0.2320(10) 0.7756(14) 0.9474(12) 0.037(2) Uiso 0.40 1 d PD . 1
F11 F 0.4836(12) 0.8535(12) 1.0372(9) 0.028(2) Uiso 0.40 1 d PD . 1
F12 F 0.3481(18) 0.6466(8) 0.8635(10) 0.037(2) Uiso 0.40 1 d PD B 1
F10X F 0.2632(15) 0.8292(15) 0.9795(13) 0.043(4) Uiso 0.30 1 d PD . 2
F11X F 0.4805(16) 0.8158(18) 1.0201(14) 0.055(6) Uiso 0.30 1 d PD . 2
F12X F 0.2842(19) 0.6428(11) 0.8519(13) 0.058(4) Uiso 0.30 1 d PD B 2
F10Y F 0.2118(14) 0.7125(19) 0.8985(18) 0.072(5) Uiso 0.30 1 d PD B 3
F11Y F 0.4362(19) 0.8558(14) 1.0435(11) 0.051(4) Uiso 0.30 1 d PD . 3
F12Y F 0.4082(18) 0.6641(12) 0.8829(13) 0.044(4) Uiso 0.30 1 d PD B 3
C11 C 0.6736(8) 0.7513(6) 0.2995(6) 0.0457(15) Uani 1 1 d D C 1
F13 F 0.6517(11) 0.6380(8) 0.1991(8) 0.050(2) Uiso 0.50 1 d PD C 1
F14 F 0.8308(9) 0.8362(9) 0.3275(9) 0.047(2) Uiso 0.50 1 d PD C 1
F15 F 0.5777(11) 0.8029(10) 0.2703(9) 0.040(3) Uiso 0.50 1 d PD C 1
F13X F 0.5870(11) 0.6174(8) 0.1907(8) 0.051(2) Uiso 0.50 1 d PD C 2
F14X F 0.8089(11) 0.7910(11) 0.2908(11) 0.065(3) Uiso 0.50 1 d PD C 2
F15X F 0.6121(11) 0.8313(9) 0.2849(9) 0.039(3) Uiso 0.50 1 d PD C 2
C12 C 0.6682(6) 0.7509(6) 0.4234(5) 0.0328(11) Uani 1 1 d . C .
C13 C 0.6996(6) 0.6533(6) 0.4354(6) 0.0360(12) Uani 1 1 d . . .
H13 H 0.7176 0.5863 0.3644 0.043 Uiso 1 1 calc R C .
C14 C 0.7063(6) 0.6481(5) 0.5478(6) 0.0368(13) Uani 1 1 d . C .
C15 C 0.7548(8) 0.5413(6) 0.5558(7) 0.0488(16) Uani 1 1 d D C 1
F16 F 0.7559(17) 0.4474(11) 0.4386(8) 0.049(2) Uiso 0.40 1 d PD C 1
F17 F 0.6531(10) 0.4701(12) 0.5864(14) 0.040(2) Uiso 0.40 1 d PD . 1
F18 F 0.8954(10) 0.6029(10) 0.6427(12) 0.025(2) Uiso 0.40 1 d PD C 1
F16X F 0.8243(16) 0.4828(12) 0.4516(10) 0.037(3) Uiso 0.30 1 d PD C 2
F17X F 0.6456(13) 0.4302(12) 0.5214(17) 0.049(3) Uiso 0.30 1 d PD . 2
F18X F 0.8673(17) 0.5899(17) 0.6593(12) 0.053(6) Uiso 0.30 1 d PD C 2
F16Y F 0.6755(18) 0.4182(12) 0.4471(12) 0.055(3) Uiso 0.30 1 d PD . 3
F17Y F 0.6818(16) 0.5117(15) 0.6424(15) 0.052(4) Uiso 0.30 1 d PD C 3
F18Y F 0.8967(14) 0.5770(17) 0.5999(17) 0.058(5) Uiso 0.30 1 d PD C 3
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'
Mn Mn 0.3368 0.7283 '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
_geom_angle_publ_flag
O3 Pb1 O3 180.00(14) 2_676 . ?
O3 Pb1 O1 64.69(12) 2_676 2_676 ?
O3 Pb1 O1 115.31(12) . 2_676 ?
O3 Pb1 O1 115.31(12) 2_676 . ?
O3 Pb1 O1 64.69(12) . . ?
O1 Pb1 O1 180.000(1) 2_676 . ?
O3 Pb1 O5 65.44(11) 2_676 2_676 ?
O3 Pb1 O5 114.56(11) . 2_676 ?
O1 Pb1 O5 66.01(12) 2_676 2_676 ?
O1 Pb1 O5 113.99(12) . 2_676 ?
O3 Pb1 O5 114.56(11) 2_676 . ?
O3 Pb1 O5 65.44(11) . . ?
O1 Pb1 O5 113.99(12) 2_676 . ?
O1 Pb1 O5 66.01(12) . . ?
O5 Pb1 O5 180.000(1) 2_676 . ?
O3 Pb1 F9 124.50(10) 2_676 . ?
O3 Pb1 F9 55.50(10) . . ?
O1 Pb1 F9 70.37(11) 2_676 . ?
O1 Pb1 F9 109.63(11) . . ?
O5 Pb1 F9 67.64(11) 2_676 . ?
O5 Pb1 F9 112.36(11) . . ?
O3 Pb1 F9 55.50(10) 2_676 2_676 ?
O3 Pb1 F9 124.50(10) . 2_676 ?
O1 Pb1 F9 109.63(11) 2_676 2_676 ?
O1 Pb1 F9 70.37(11) . 2_676 ?
O5 Pb1 F9 112.36(11) 2_676 2_676 ?
O5 Pb1 F9 67.64(11) . 2_676 ?
F9 Pb1 F9 180.000(1) . 2_676 ?
O3 Pb1 F3 68.74(11) 2_676 . ?
O3 Pb1 F3 111.26(11) . . ?
O1 Pb1 F3 124.75(10) 2_676 . ?
O1 Pb1 F3 55.25(10) . . ?
O5 Pb1 F3 68.76(11) 2_676 . ?
O5 Pb1 F3 111.24(11) . . ?
F9 Pb1 F3 118.15(11) . . ?
F9 Pb1 F3 61.85(11) 2_676 . ?
O3 Pb1 F3 111.26(11) 2_676 2_676 ?
O3 Pb1 F3 68.74(11) . 2_676 ?
O1 Pb1 F3 55.25(10) 2_676 2_676 ?
O1 Pb1 F3 124.75(10) . 2_676 ?
O5 Pb1 F3 111.24(11) 2_676 2_676 ?
O5 Pb1 F3 68.76(11) . 2_676 ?
F9 Pb1 F3 61.85(11) . 2_676 ?
F9 Pb1 F3 118.15(11) 2_676 2_676 ?
F3 Pb1 F3 180.0 . 2_676 ?
O3 Pb1 F15 108.80(19) 2_676 2_676 ?
O3 Pb1 F15 71.20(19) . 2_676 ?
O1 Pb1 F15 113.73(18) 2_676 2_676 ?
O1 Pb1 F15 66.27(18) . 2_676 ?
O5 Pb1 F15 54.66(17) 2_676 2_676 ?
O5 Pb1 F15 125.34(17) . 2_676 ?
F9 Pb1 F15 62.4(2) . 2_676 ?
F9 Pb1 F15 117.6(2) 2_676 2_676 ?
F3 Pb1 F15 57.0(2) . 2_676 ?
F3 Pb1 F15 123.0(2) 2_676 2_676 ?
O3 Pb1 F15 71.20(19) 2_676 . ?
O3 Pb1 F15 108.80(19) . . ?
O1 Pb1 F15 66.27(18) 2_676 . ?
O1 Pb1 F15 113.73(18) . . ?
O5 Pb1 F15 125.34(17) 2_676 . ?
O5 Pb1 F15 54.66(17) . . ?
F9 Pb1 F15 117.6(2) . . ?
F9 Pb1 F15 62.4(2) 2_676 . ?
F3 Pb1 F15 123.0(2) . . ?
F3 Pb1 F15 57.0(2) 2_676 . ?
O3 Pb1 Mn1 141.59(8) . 2_676 ?
O1 Pb1 Mn1 141.25(8) . 2_676 ?
O5 Pb1 Mn1 141.41(8) . 2_676 ?
F9 Pb1 Mn1 86.10(7) . 2_676 ?
F9 Pb1 Mn1 93.90(7) 2_676 2_676 ?
F3 Pb1 Mn1 86.02(7) . 2_676 ?
F3 Pb1 Mn1 93.98(7) 2_676 2_676 ?
F15 Pb1 Mn1 93.16(15) 2_676 2_676 ?
F15 Pb1 Mn1 86.84(15) . 2_676 ?
O2 Mn1 O6 88.40(16) . . ?
O2 Mn1 O4 100.25(16) . . ?
O6 Mn1 O4 87.06(16) . . ?
O2 Mn1 O3 154.48(15) . . ?
O6 Mn1 O3 117.09(16) . . ?
O4 Mn1 O3 80.96(14) . . ?
O2 Mn1 O5 109.06(16) . . ?
O6 Mn1 O5 80.51(15) . . ?
O4 Mn1 O5 147.65(16) . . ?
O3 Mn1 O5 78.46(14) . . ?
O2 Mn1 O1 80.43(15) . . ?
O6 Mn1 O1 151.93(15) . . ?
O4 Mn1 O1 120.13(15) . . ?
O3 Mn1 O1 77.13(14) . . ?
O5 Mn1 O1 79.01(14) . . ?
O6 Mn1 C4 104.27(17) . . ?
O4 Mn1 C4 106.74(15) . . ?
O3 Mn1 C4 138.38(15) . . ?
O5 Mn1 C4 105.25(15) . . ?
O1 Mn1 C4 63.49(15) . . ?
O2 Mn1 C9 116.89(15) . . ?
O6 Mn1 C9 93.03(15) . . ?
O3 Mn1 C9 63.61(14) . . ?
O5 Mn1 C9 133.39(15) . . ?
O1 Mn1 C9 115.00(14) . . ?
C4 Mn1 C9 120.96(14) . . ?
O2 Mn1 C14 91.26(15) . . ?
O4 Mn1 C14 103.14(16) . . ?
O3 Mn1 C14 113.45(15) . . ?
O5 Mn1 C14 63.68(15) . . ?
O1 Mn1 C14 136.71(15) . . ?
C4 Mn1 C14 104.61(15) . . ?
C9 Mn1 C14 106.68(15) . . ?
O2 Mn1 C7 151.48(15) . . ?
O6 Mn1 C7 111.97(16) . . ?
O4 Mn1 C7 62.87(15) . . ?
O5 Mn1 C7 94.36(15) . . ?
O1 Mn1 C7 88.60(14) . . ?
C4 Mn1 C7 141.13(14) . . ?
C14 Mn1 C7 114.17(15) . . ?
O2 Mn1 C2 62.22(15) . . ?
O6 Mn1 C2 142.38(16) . . ?
O4 Mn1 C2 119.22(15) . . ?
O3 Mn1 C2 94.69(14) . . ?
O5 Mn1 C2 87.26(14) . . ?
C9 Mn1 C2 120.31(14) . . ?
C14 Mn1 C2 132.42(15) . . ?
C7 Mn1 C2 104.30(14) . . ?
O2 Mn1 C12 104.37(16) . . ?
O6 Mn1 C12 62.36(15) . . ?
O4 Mn1 C12 139.54(16) . . ?
O3 Mn1 C12 89.81(14) . . ?
O1 Mn1 C12 95.47(14) . . ?
C4 Mn1 C12 106.13(15) . . ?
C9 Mn1 C12 131.36(15) . . ?
C7 Mn1 C12 102.82(15) . . ?
C2 Mn1 C12 100.66(14) . . ?
O2 Mn1 Pb1 121.03(11) . . ?
O6 Mn1 Pb1 124.43(12) . . ?
O4 Mn1 Pb1 125.73(11) . . ?
C4 Mn1 Pb1 105.89(11) . . ?
C9 Mn1 Pb1 109.22(11) . . ?
C14 Mn1 Pb1 109.00(11) . . ?
C7 Mn1 Pb1 64.39(10) . . ?
C2 Mn1 Pb1 63.64(10) . . ?
C12 Mn1 Pb1 64.93(10) . . ?
C2 O1 Mn1 128.6(3) . . ?
C2 O1 Pb1 131.2(3) . . ?
Mn1 O1 Pb1 94.54(13) . . ?
C4 O2 Mn1 133.0(4) . . ?
C7 O3 Mn1 129.0(3) . . ?
C7 O3 Pb1 134.8(3) . . ?
Mn1 O3 Pb1 95.09(13) . . ?
C9 O4 Mn1 131.3(4) . . ?
C12 O5 Mn1 128.8(3) . . ?
C12 O5 Pb1 135.1(3) . . ?
Mn1 O5 Pb1 94.40(13) . . ?
C14 O6 Mn1 132.4(4) . . ?
F1 C1 F2 107.3(5) . . ?
F1 C1 F3 107.3(5) . . ?
F2 C1 F3 106.8(5) . . ?
F1 C1 C2 113.8(5) . . ?
F2 C1 C2 110.3(5) . . ?
F3 C1 C2 111.0(5) . . ?
F1 C1 Pb1 136.4(4) . . ?
F2 C1 Pb1 112.4(4) . . ?
C2 C1 Pb1 68.1(3) . . ?
C1 F3 Pb1 117.6(3) . . ?
O1 C2 C3 128.5(5) . . ?
O1 C2 C1 114.3(5) . . ?
C3 C2 C1 117.1(5) . . ?
C3 C2 Mn1 95.4(4) . . ?
C1 C2 Mn1 146.9(4) . . ?
C3 C2 Pb1 149.5(4) . . ?
C1 C2 Pb1 88.3(3) . . ?
Mn1 C2 Pb1 63.17(10) . . ?
C2 C3 C4 120.9(5) . . ?
C2 C3 Mn1 62.2(3) . . ?
C4 C3 Mn1 58.8(3) . . ?
O2 C4 C3 128.4(5) . . ?
O2 C4 C5 114.6(5) . . ?
C3 C4 C5 117.1(5) . . ?
C3 C4 Mn1 98.4(4) . . ?
C5 C4 Mn1 144.4(4) . . ?
F5 C5 F4 110.6(10) . . ?
F5 C5 F6 107.6(10) . . ?
F4 C5 F6 109.9(9) . . ?
F5 C5 C4 111.9(7) . . ?
F4 C5 C4 112.4(6) . . ?
F6 C5 C4 104.1(7) . . ?
C5 F6 Mn1 109.9(7) . 2_777 ?
F7 C6 F8 107.6(5) . . ?
F7 C6 F9 107.4(5) . . ?
F8 C6 F9 106.5(5) . . ?
F7 C6 C7 113.2(5) . . ?
F8 C6 C7 110.2(5) . . ?
F9 C6 C7 111.6(4) . . ?
F7 C6 Pb1 135.8(4) . . ?
F8 C6 Pb1 112.2(3) . . ?
C7 C6 Pb1 70.1(3) . . ?
C6 F9 Pb1 119.1(3) . . ?
O3 C7 C8 128.1(5) . . ?
O3 C7 C6 115.0(5) . . ?
C8 C7 C6 116.8(5) . . ?
C8 C7 Mn1 95.2(3) . . ?
C6 C7 Mn1 147.5(4) . . ?
C8 C7 Pb1 155.8(4) . . ?
C6 C7 Pb1 86.2(3) . . ?
Mn1 C7 Pb1 62.92(10) . . ?
C7 C8 C9 121.8(5) . . ?
C7 C8 Mn1 62.3(3) . . ?
C9 C8 Mn1 59.6(3) . . ?
O4 C9 C8 128.1(5) . . ?
O4 C9 C10 114.0(5) . . ?
C8 C9 C10 117.8(5) . . ?
C8 C9 Mn1 97.5(3) . . ?
C10 C9 Mn1 143.6(4) . . ?
F12 C10 F10 105.6(9) . . ?
F12 C10 F11 109.5(9) . . ?
F10 C10 F11 108.1(8) . . ?
F12 C10 C9 110.6(6) . . ?
F10 C10 C9 113.7(6) . . ?
F11 C10 C9 109.1(6) . . ?
C10 F10 Mn1 105.8(7) . 2_677 ?
C10 F11 Mn1 107.5(7) . 2_677 ?
F13 C11 F15 110.1(7) . . ?
F13 C11 F14 103.1(7) . . ?
F15 C11 F14 110.1(7) . . ?
F13 C11 C12 116.2(6) . . ?
F15 C11 C12 111.5(6) . . ?
F14 C11 C12 105.3(6) . . ?
F13 C11 Pb1 148.2(6) . . ?
F14 C11 Pb1 105.1(5) . . ?
C12 C11 Pb1 69.7(3) . . ?
C11 F15 Pb1 116.2(6) . . ?
O5 C12 C13 127.3(5) . . ?
O5 C12 C11 114.7(5) . . ?
C13 C12 C11 117.9(5) . . ?
C13 C12 Mn1 94.5(4) . . ?
C11 C12 Mn1 147.1(4) . . ?
C13 C12 Pb1 153.3(4) . . ?
C11 C12 Pb1 87.0(3) . . ?
Mn1 C12 Pb1 62.37(9) . . ?
C12 C13 C14 122.7(5) . . ?
C12 C13 Mn1 63.0(3) . . ?
C14 C13 Mn1 59.7(3) . . ?
O6 C14 C13 127.4(5) . . ?
O6 C14 C15 113.9(5) . . ?
C13 C14 C15 118.7(5) . . ?
C13 C14 Mn1 97.3(3) . . ?
C15 C14 Mn1 143.3(4) . . ?
F17 C15 F18 111.0(9) . . ?
F17 C15 F16 104.6(9) . . ?
F18 C15 F16 109.2(10) . . ?
F17 C15 C14 110.7(7) . . ?
F18 C15 C14 109.7(6) . . ?
F16 C15 C14 111.6(7) . . ?
C15 F17 Mn1 116.3(8) . 2_666 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 O3 2.582(4) 2_676 ?
Pb1 O3 2.582(4) . ?
Pb1 O1 2.589(4) 2_676 ?
Pb1 O1 2.589(4) . ?
Pb1 O5 2.601(4) 2_676 ?
Pb1 O5 2.601(4) . ?
Pb1 F9 2.972(4) . ?
Pb1 F9 2.972(4) 2_676 ?
Pb1 F3 3.023(4) . ?
Pb1 F3 3.023(4) 2_676 ?
Pb1 F15 3.072(9) 2_676 ?
Pb1 F15 3.072(9) . ?
Mn1 O2 2.116(4) . ?
Mn1 O6 2.130(4) . ?
Mn1 O4 2.134(4) . ?
Mn1 O3 2.212(4) . ?
Mn1 O5 2.218(4) . ?
Mn1 O1 2.226(4) . ?
O1 C2 1.275(6) . ?
O2 C4 1.238(7) . ?
O3 C7 1.269(6) . ?
O4 C9 1.244(7) . ?
O5 C12 1.283(6) . ?
O6 C14 1.236(7) . ?
C1 F1 1.326(7) . ?
C1 F2 1.330(8) . ?
C1 F3 1.344(7) . ?
C1 C2 1.534(8) . ?
C2 C3 1.374(8) . ?
C3 C4 1.403(8) . ?
C4 C5 1.548(8) . ?
C5 F5 1.331(10) . ?
C5 F4 1.346(10) . ?
C5 F6 1.362(10) . ?
C6 F7 1.322(7) . ?
C6 F8 1.335(7) . ?
C6 F9 1.345(6) . ?
C6 C7 1.535(8) . ?
C7 C8 1.370(8) . ?
C8 C9 1.403(8) . ?
C9 C10 1.536(7) . ?
C10 F12 1.325(10) . ?
C10 F10 1.346(9) . ?
C10 F11 1.371(10) . ?
C11 F13 1.273(9) . ?
C11 F15 1.345(10) . ?
C11 F14 1.432(10) . ?
C11 C12 1.524(8) . ?
C12 C13 1.367(8) . ?
C13 C14 1.399(8) . ?
C14 C15 1.535(8) . ?
C15 F17 1.316(10) . ?
C15 F18 1.330(10) . ?
C15 F16 1.353(10) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139127041
