#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:48:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179207 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/39/4313981.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_4313981
loop_
_publ_author_name
'Gang Li'
'Hongwei Hou'
'Linke Li'
'Xiangru Meng'
'Yaoting Fan'
'Yu Zhu'
_publ_section_title
;
 Novel Pb(II), Zn(II), and Cd(II) Coordination Polymers Constructed from
 Ferrocenyl-Substituted Carboxylate and Bipyridine-Based Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4995
_journal_page_last               5004
_journal_paper_doi               10.1021/ic034324a
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C48 H36 Fe2 N2 O6 Pb'
_chemical_formula_weight         1055.68
_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
_cell_angle_alpha                90.82(3)
_cell_angle_beta                 107.16(3)
_cell_angle_gamma                101.97(3)
_cell_formula_units_Z            2
_cell_length_a                   10.924(2)
_cell_length_b                   12.205(2)
_cell_length_c                   16.393(3)
_cell_measurement_reflns_used    170
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2
_cell_volume                     2036.3(8)
_computing_cell_refinement       raxis
_computing_data_collection       raxis
_computing_data_reduction        raxis
_computing_molecular_graphics    texsan
_computing_publication_material  texsan
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measurement_device       R-AXIS-IV
_diffrn_measurement_method       'Osillation   frames'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.3815
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7440
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    4.881
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.237
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.0024(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.075
_refine_ls_goodness_of_fit_obs   1.118
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         7440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_restrained_S_obs      1.118
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_obs          0.0468
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0488P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1054
_refine_ls_wR_factor_obs         0.0952
_reflns_number_observed          5721
_reflns_number_total             7440
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic034324asi20030702_103854_4.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2036.0(7)
_cod_database_code               4313981
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pb1 Pb 0.62733(3) 0.88768(2) 0.58111(2) 0.03328(11) Uani 1 d . .
Fe1 Fe 0.69306(14) 0.58528(11) 0.90456(9) 0.0561(4) Uani 1 d . .
Fe2 Fe 0.23005(13) 0.89447(9) 0.09609(7) 0.0453(3) Uani 1 d . .
N1 N 0.4307(7) 0.7120(5) 0.5444(4) 0.040(2) Uani 1 d . .
N2 N 0.7815(7) 1.0737(5) 0.5524(5) 0.046(2) Uani 1 d . .
O1 O 0.7257(6) 0.7188(5) 0.6365(4) 0.057(2) Uani 1 d . .
O2 O 0.8659(7) 0.8813(5) 0.6590(5) 0.072(2) Uani 1 d . .
O3 O 0.7617(9) 0.4530(5) 0.7219(5) 0.084(2) Uani 1 d . .
O4 O 0.6672(6) 0.8197(4) 0.4610(3) 0.0426(14) Uani 1 d . .
O5 O 0.5215(6) 0.9214(4) 0.4040(3) 0.0432(14) Uani 1 d . .
O6 O 0.5163(7) 1.0874(5) 0.2549(4) 0.065(2) Uani 1 d . .
C1 C 0.8179(21) 0.6343(11) 1.0218(11) 0.121(7) Uani 1 d . .
H1A H 0.8620(21) 0.7118(11) 1.0446(11) 0.145 Uiso 1 calc R .
C2 C 0.7052(23) 0.5763(24) 1.0311(10) 0.143(9) Uani 1 d . .
H2A H 0.6499(23) 0.6050(24) 1.0598(10) 0.172 Uiso 1 calc R .
C3 C 0.6760(17) 0.4714(16) 0.9882(12) 0.122(6) Uani 1 d . .
H3A H 0.5988(17) 0.4111(16) 0.9834(12) 0.147 Uiso 1 calc R .
C4 C 0.7835(21) 0.4637(15) 0.9590(9) 0.111(6) Uani 1 d . .
H4A H 0.7969(21) 0.3983(15) 0.9302(9) 0.134 Uiso 1 calc R .
C5 C 0.8677(14) 0.5617(15) 0.9868(11) 0.105(5) Uani 1 d . .
H5A H 0.9519(14) 0.5824(15) 0.9747(11) 0.126 Uiso 1 calc R .
C6 C 0.7190(12) 0.7099(9) 0.8238(7) 0.073(3) Uani 1 d . .
H6A H 0.7967(12) 0.7712(9) 0.8334(7) 0.087 Uiso 1 calc R .
C7 C 0.6058(16) 0.7131(10) 0.8493(9) 0.108(5) Uani 1 d . .
H7A H 0.5923(16) 0.7768(10) 0.8800(9) 0.129 Uiso 1 calc R .
C8 C 0.5196(13) 0.6076(13) 0.8255(9) 0.100(5) Uani 1 d . .
H8A H 0.4347(13) 0.5862(13) 0.8365(9) 0.120 Uiso 1 calc R .
C9 C 0.5729(12) 0.5363(11) 0.7823(7) 0.085(4) Uani 1 d . .
H9A H 0.5316(12) 0.4592(11) 0.7574(7) 0.102 Uiso 1 calc R .
C10 C 0.6980(10) 0.6019(7) 0.7805(6) 0.058(3) Uani 1 d . .
C11 C 0.7912(11) 0.5516(7) 0.7492(6) 0.059(3) Uani 1 d . .
C12 C 0.9177(10) 0.6210(8) 0.7520(6) 0.056(2) Uani 1 d . .
C13 C 1.0278(12) 0.5745(11) 0.7928(7) 0.076(3) Uani 1 d . .
H13A H 1.0134(12) 0.5053(11) 0.8155(7) 0.091 Uiso 1 calc R .
C14 C 1.1514(15) 0.6276(13) 0.7996(7) 0.099(5) Uani 1 d . .
H14A H 1.2202(15) 0.5934(13) 0.8251(7) 0.119 Uiso 1 calc R .
C15 C 1.1787(11) 0.7340(11) 0.7689(7) 0.078(3) Uani 1 d . .
H15A H 1.2651(11) 0.7705(11) 0.7757(7) 0.093 Uiso 1 calc R .
C16 C 1.0783(11) 0.7835(10) 0.7292(6) 0.069(3) Uani 1 d . .
H16A H 1.0953(11) 0.8537(10) 0.7084(6) 0.083 Uiso 1 calc R .
C17 C 0.9463(9) 0.7257(8) 0.7199(5) 0.053(2) Uani 1 d . .
C18 C 0.8330(9) 0.7786(7) 0.6671(5) 0.045(2) Uani 1 d . .
C19 C 0.1714(14) 0.8234(10) -0.0267(6) 0.082(4) Uani 1 d . .
H19A H 0.1256(14) 0.7452(10) -0.0459(6) 0.098 Uiso 1 calc R .
C20 C 0.1116(12) 0.9144(9) -0.0237(6) 0.075(3) Uani 1 d . .
H20A H 0.0170(12) 0.9112(9) -0.0401(6) 0.090 Uiso 1 calc R .
C21 C 0.2104(11) 1.0082(9) 0.0071(6) 0.066(3) Uani 1 d . .
H21A H 0.1973(11) 1.0839(9) 0.0164(6) 0.080 Uiso 1 calc R .
C22 C 0.3326(10) 0.9801(8) 0.0231(6) 0.059(3) Uani 1 d . .
H22A H 0.4186(10) 1.0322(8) 0.0443(6) 0.070 Uiso 1 calc R .
C23 C 0.3104(12) 0.8648(9) 0.0037(6) 0.066(3) Uani 1 d . .
H23A H 0.3775(12) 0.8210(9) 0.0080(6) 0.080 Uiso 1 calc R .
C24 C 0.2371(10) 0.9732(8) 0.2081(6) 0.052(2) Uani 1 d . .
H24A H 0.2424(10) 1.0538(8) 0.2177(6) 0.063 Uiso 1 calc R .
C25 C 0.1198(10) 0.8904(9) 0.1790(6) 0.060(3) Uani 1 d . .
H25A H 0.0299(10) 0.9015(9) 0.1657(6) 0.072 Uiso 1 calc R .
C26 C 0.1586(10) 0.7869(9) 0.1755(6) 0.072(3) Uani 1 d . .
H26A H 0.0979(10) 0.7136(9) 0.1565(6) 0.086 Uiso 1 calc R .
C27 C 0.2973(10) 0.8054(7) 0.1985(5) 0.053(2) Uani 1 d . .
H27A H 0.3486(10) 0.7480(7) 0.2004(5) 0.063 Uiso 1 calc R .
C28 C 0.3480(8) 0.9222(6) 0.2210(5) 0.038(2) Uani 1 d . .
C29 C 0.4840(9) 0.9837(7) 0.2434(5) 0.041(2) Uani 1 d . .
C30 C 0.5887(9) 0.9170(8) 0.2475(5) 0.052(2) Uani 1 d . .
C31 C 0.6346(12) 0.9174(11) 0.1776(7) 0.094(4) Uani 1 d . .
H31A H 0.6042(12) 0.9595(11) 0.1322(7) 0.113 Uiso 1 calc R .
C32 C 0.7244(16) 0.8562(14) 0.1752(8) 0.140(7) Uani 1 d . .
H32A H 0.7558(16) 0.8580(14) 0.1283(8) 0.168 Uiso 1 calc R .
C33 C 0.7696(15) 0.7919(14) 0.2408(8) 0.128(7) Uani 1 d . .
H33A H 0.8251(15) 0.7452(14) 0.2364(8) 0.154 Uiso 1 calc R .
C34 C 0.7314(11) 0.7981(10) 0.3124(7) 0.082(4) Uani 1 d . .
H34A H 0.7689(11) 0.7611(10) 0.3594(7) 0.098 Uiso 1 calc R .
C35 C 0.6373(8) 0.8585(7) 0.3173(5) 0.041(2) Uani 1 d . .
C36 C 0.6025(7) 0.8673(6) 0.3985(5) 0.035(2) Uani 1 d . .
C37 C 0.4170(8) 0.6229(6) 0.4899(6) 0.046(2) Uani 1 d . .
H37A H 0.4701(8) 0.6295(6) 0.4543(6) 0.056 Uiso 1 calc R .
C38 C 0.3290(9) 0.5236(6) 0.4846(6) 0.049(2) Uani 1 d . .
H38A H 0.3241(9) 0.4652(6) 0.4459(6) 0.059 Uiso 1 calc R .
C39 C 0.2480(8) 0.5085(6) 0.5350(5) 0.038(2) Uani 1 d . .
C40 C 0.2608(9) 0.6020(6) 0.5911(6) 0.050(2) Uani 1 d . .
H40A H 0.2065(9) 0.5983(6) 0.6258(6) 0.060 Uiso 1 calc R .
C41 C 0.3542(9) 0.6992(7) 0.5942(6) 0.051(2) Uani 1 d . .
H41A H 0.3635(9) 0.7585(7) 0.6334(6) 0.061 Uiso 1 calc R .
C42 C 0.1534(9) 0.4029(7) 0.5277(6) 0.047(2) Uani 1 d . .
H42B H 0.1698(85) 0.3525(68) 0.4934(57) 0.056 Uiso 1 d . .
C43 C 0.8695(9) 1.0811(6) 0.5104(6) 0.053(2) Uani 1 d . .
H43A H 0.8717(9) 1.0169(6) 0.4800(6) 0.064 Uiso 1 calc R .
C44 C 0.9580(8) 1.1799(6) 0.5098(6) 0.049(2) Uani 1 d . .
H44A H 1.0144(8) 1.1820(6) 0.4768(6) 0.059 Uiso 1 calc R .
C45 C 0.9632(8) 1.2759(6) 0.5582(5) 0.042(2) Uani 1 d . .
C46 C 0.8739(8) 1.2680(6) 0.6019(5) 0.040(2) Uani 1 d . .
H46A H 0.8736(8) 1.3306(6) 0.6347(5) 0.049 Uiso 1 calc R .
C47 C 0.7837(8) 1.1691(6) 0.5986(5) 0.045(2) Uani 1 d . .
H47A H 0.7230(8) 1.1670(6) 0.6284(5) 0.054 Uiso 1 calc R .
C48 C 1.0585(9) 1.3820(7) 0.5643(6) 0.047(2) Uani 1 d . .
H48A H 1.0456(74) 1.4426(61) 0.6017(49) 0.044(22) Uiso 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
O4 Pb1 O2 85.1(2) . . ?
O4 Pb1 O1 78.1(2) . . ?
O2 Pb1 O1 50.5(2) . . ?
O4 Pb1 N1 84.2(2) . . ?
O2 Pb1 N1 124.1(2) . . ?
O1 Pb1 N1 73.6(2) . . ?
O4 Pb1 N2 81.1(2) . . ?
O2 Pb1 N2 72.1(2) . . ?
O1 Pb1 N2 119.9(2) . . ?
N1 Pb1 N2 157.0(2) . . ?
O4 Pb1 C18 82.1(2) . . ?
O2 Pb1 C18 25.9(2) . . ?
O1 Pb1 C18 24.8(2) . . ?
N1 Pb1 C18 98.3(2) . . ?
N2 Pb1 C18 97.1(2) . . ?
C3 Fe1 C1 67.1(7) . . ?
C3 Fe1 C4 41.2(6) . . ?
C1 Fe1 C4 66.9(5) . . ?
C3 Fe1 C8 114.6(6) . . ?
C1 Fe1 C8 141.1(8) . . ?
C4 Fe1 C8 141.7(8) . . ?
C3 Fe1 C2 40.0(7) . . ?
C1 Fe1 C2 38.7(7) . . ?
C4 Fe1 C2 67.0(7) . . ?
C8 Fe1 C2 116.0(7) . . ?
C3 Fe1 C9 114.4(7) . . ?
C1 Fe1 C9 177.2(8) . . ?
C4 Fe1 C9 112.5(6) . . ?
C8 Fe1 C9 41.0(5) . . ?
C2 Fe1 C9 143.9(9) . . ?
C3 Fe1 C6 176.5(7) . . ?
C1 Fe1 C6 109.5(6) . . ?
C4 Fe1 C6 138.4(7) . . ?
C8 Fe1 C6 67.8(5) . . ?
C2 Fe1 C6 137.0(9) . . ?
C9 Fe1 C6 69.0(5) . . ?
C3 Fe1 C10 142.2(8) . . ?
C1 Fe1 C10 136.3(7) . . ?
C4 Fe1 C10 111.9(5) . . ?
C8 Fe1 C10 68.1(5) . . ?
C2 Fe1 C10 174.9(9) . . ?
C9 Fe1 C10 41.1(4) . . ?
C6 Fe1 C10 40.6(4) . . ?
C3 Fe1 C5 64.5(6) . . ?
C1 Fe1 C5 38.3(6) . . ?
C4 Fe1 C5 37.9(5) . . ?
C8 Fe1 C5 178.9(6) . . ?
C2 Fe1 C5 62.9(7) . . ?
C9 Fe1 C5 139.7(7) . . ?
C6 Fe1 C5 113.1(5) . . ?
C10 Fe1 C5 113.0(6) . . ?
C3 Fe1 C7 140.1(8) . . ?
C1 Fe1 C7 112.1(6) . . ?
C4 Fe1 C7 178.3(9) . . ?
C8 Fe1 C7 39.9(5) . . ?
C2 Fe1 C7 113.2(7) . . ?
C9 Fe1 C7 68.4(6) . . ?
C6 Fe1 C7 40.3(4) . . ?
C10 Fe1 C7 67.7(4) . . ?
C5 Fe1 C7 140.5(7) . . ?
C23 Fe2 C21 67.7(4) . . ?
C23 Fe2 C22 40.2(4) . . ?
C21 Fe2 C22 40.3(4) . . ?
C23 Fe2 C24 152.2(5) . . ?
C21 Fe2 C24 107.0(4) . . ?
C22 Fe2 C24 118.0(4) . . ?
C23 Fe2 C19 41.1(4) . . ?
C21 Fe2 C19 66.7(4) . . ?
C22 Fe2 C19 67.6(4) . . ?
C24 Fe2 C19 164.0(5) . . ?
C23 Fe2 C27 109.4(4) . . ?
C21 Fe2 C27 165.2(4) . . ?
C22 Fe2 C27 128.2(4) . . ?
C24 Fe2 C27 68.4(3) . . ?
C19 Fe2 C27 121.4(4) . . ?
C23 Fe2 C28 118.7(4) . . ?
C21 Fe2 C28 127.0(4) . . ?
C22 Fe2 C28 107.6(4) . . ?
C24 Fe2 C28 41.2(3) . . ?
C19 Fe2 C28 154.3(5) . . ?
C27 Fe2 C28 40.5(3) . . ?
C23 Fe2 C20 68.4(5) . . ?
C21 Fe2 C20 39.2(4) . . ?
C22 Fe2 C20 67.4(4) . . ?
C24 Fe2 C20 125.8(4) . . ?
C19 Fe2 C20 40.2(4) . . ?
C27 Fe2 C20 154.7(4) . . ?
C28 Fe2 C20 163.6(4) . . ?
C23 Fe2 C25 167.1(5) . . ?
C21 Fe2 C25 117.3(4) . . ?
C22 Fe2 C25 150.8(4) . . ?
C24 Fe2 C25 40.2(4) . . ?
C19 Fe2 C25 127.9(5) . . ?
C27 Fe2 C25 69.0(4) . . ?
C28 Fe2 C25 69.0(4) . . ?
C20 Fe2 C25 107.3(5) . . ?
C23 Fe2 C26 130.5(5) . . ?
C21 Fe2 C26 152.3(5) . . ?
C22 Fe2 C26 167.0(4) . . ?
C24 Fe2 C26 66.8(4) . . ?
C19 Fe2 C26 111.4(4) . . ?
C27 Fe2 C26 40.3(4) . . ?
C28 Fe2 C26 67.3(3) . . ?
C20 Fe2 C26 120.9(5) . . ?
C25 Fe2 C26 40.3(4) . . ?
C41 N1 C37 116.7(7) . . ?
C41 N1 Pb1 117.4(5) . . ?
C37 N1 Pb1 124.6(5) . . ?
C43 N2 C47 117.0(7) . . ?
C43 N2 Pb1 127.6(5) . . ?
C47 N2 Pb1 114.5(5) . . ?
C18 O1 Pb1 91.5(5) . . ?
C18 O2 Pb1 91.0(6) . . ?
C36 O4 Pb1 105.2(4) . . ?
C5 C1 C2 106.7(15) . . ?
C5 C1 Fe1 73.5(9) . . ?
C2 C1 Fe1 72.6(10) . . ?
C1 C2 C3 108.0(17) . . ?
C1 C2 Fe1 68.8(10) . . ?
C3 C2 Fe1 67.6(9) . . ?
C2 C3 C4 107.2(17) . . ?
C2 C3 Fe1 72.3(9) . . ?
C4 C3 Fe1 70.9(9) . . ?
C5 C4 C3 104.2(14) . . ?
C5 C4 Fe1 72.7(8) . . ?
C3 C4 Fe1 67.9(8) . . ?
C4 C5 C1 112.8(15) . . ?
C4 C5 Fe1 69.5(9) . . ?
C1 C5 Fe1 68.2(8) . . ?
C7 C6 C10 107.8(11) . . ?
C7 C6 Fe1 70.5(6) . . ?
C10 C6 Fe1 69.8(6) . . ?
C8 C7 C6 107.8(10) . . ?
C8 C7 Fe1 68.3(5) . . ?
C6 C7 Fe1 69.2(6) . . ?
C7 C8 C9 110.1(12) . . ?
C7 C8 Fe1 71.9(7) . . ?
C9 C8 Fe1 70.1(6) . . ?
C8 C9 C10 106.0(11) . . ?
C8 C9 Fe1 68.9(7) . . ?
C10 C9 Fe1 70.1(6) . . ?
C6 C10 C9 108.2(10) . . ?
C6 C10 C11 129.2(10) . . ?
C9 C10 C11 122.0(10) . . ?
C6 C10 Fe1 69.6(6) . . ?
C9 C10 Fe1 68.8(6) . . ?
C11 C10 Fe1 120.0(6) . . ?
O3 C11 C12 120.2(9) . . ?
O3 C11 C10 120.5(10) . . ?
C12 C11 C10 119.4(8) . . ?
C17 C12 C13 116.1(10) . . ?
C17 C12 C11 129.2(9) . . ?
C13 C12 C11 114.7(9) . . ?
C14 C13 C12 122.0(12) . . ?
C13 C14 C15 121.3(11) . . ?
C16 C15 C14 119.9(12) . . ?
C15 C16 C17 119.0(11) . . ?
C12 C17 C16 121.8(9) . . ?
C12 C17 C18 120.1(9) . . ?
C16 C17 C18 118.0(9) . . ?
O1 C18 O2 126.5(9) . . ?
O1 C18 C17 118.7(8) . . ?
O2 C18 C17 114.7(8) . . ?
O1 C18 Pb1 63.8(5) . . ?
O2 C18 Pb1 63.1(5) . . ?
C17 C18 Pb1 175.6(6) . . ?
C20 C19 C23 108.0(10) . . ?
C20 C19 Fe2 70.5(6) . . ?
C23 C19 Fe2 68.7(6) . . ?
C21 C20 C19 107.2(11) . . ?
C21 C20 Fe2 69.1(6) . . ?
C19 C20 Fe2 69.4(6) . . ?
C20 C21 C22 110.0(11) . . ?
C20 C21 Fe2 71.7(6) . . ?
C22 C21 Fe2 70.0(5) . . ?
C23 C22 C21 107.8(10) . . ?
C23 C22 Fe2 69.7(6) . . ?
C21 C22 Fe2 69.6(6) . . ?
C22 C23 C19 106.9(9) . . ?
C22 C23 Fe2 70.1(6) . . ?
C19 C23 Fe2 70.2(6) . . ?
C25 C24 C28 109.8(8) . . ?
C25 C24 Fe2 70.9(6) . . ?
C28 C24 Fe2 70.0(5) . . ?
C24 C25 C26 105.8(9) . . ?
C24 C25 Fe2 68.9(5) . . ?
C26 C25 Fe2 70.0(5) . . ?
C27 C26 C25 110.3(9) . . ?
C27 C26 Fe2 69.3(5) . . ?
C25 C26 Fe2 69.8(5) . . ?
C26 C27 C28 107.2(8) . . ?
C26 C27 Fe2 70.4(5) . . ?
C28 C27 Fe2 69.9(5) . . ?
C27 C28 C24 106.9(8) . . ?
C27 C28 C29 128.1(8) . . ?
C24 C28 C29 124.7(7) . . ?
C27 C28 Fe2 69.6(5) . . ?
C24 C28 Fe2 68.8(5) . . ?
C29 C28 Fe2 121.4(5) . . ?
O6 C29 C28 122.6(8) . . ?
O6 C29 C30 119.4(8) . . ?
C28 C29 C30 117.9(7) . . ?
C31 C30 C35 120.6(8) . . ?
C31 C30 C29 116.6(8) . . ?
C35 C30 C29 122.7(7) . . ?
C32 C31 C30 120.0(9) . . ?
C31 C32 C33 121.3(11) . . ?
C34 C33 C32 118.5(11) . . ?
C33 C34 C35 122.0(9) . . ?
C30 C35 C34 117.2(8) . . ?
C30 C35 C36 122.3(7) . . ?
C34 C35 C36 120.3(7) . . ?
O5 C36 O4 123.8(7) . . ?
O5 C36 C35 120.9(7) . . ?
O4 C36 C35 115.2(6) . . ?
N1 C37 C38 123.1(8) . . ?
C37 C38 C39 121.3(8) . . ?
C38 C39 C40 115.6(7) . . ?
C38 C39 C42 120.7(7) . . ?
C40 C39 C42 123.6(8) . . ?
C41 C40 C39 119.8(8) . . ?
N1 C41 C40 123.3(7) . . ?
C48 C42 C39 126.8(8) 1_445 . ?
N2 C43 C44 122.9(8) . . ?
C43 C44 C45 120.4(8) . . ?
C46 C45 C44 116.5(7) . . ?
C46 C45 C48 119.8(7) . . ?
C44 C45 C48 123.6(8) . . ?
C45 C46 C47 121.5(7) . . ?
N2 C47 C46 121.6(8) . . ?
C42 C48 C45 127.4(8) 1_665 . ?
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 O4 2.316(5) . ?
Pb1 O2 2.559(7) . ?
Pb1 O1 2.574(6) . ?
Pb1 N1 2.619(6) . ?
Pb1 N2 2.669(6) . ?
Pb1 C18 2.869(9) . ?
Fe1 C3 1.986(13) . ?
Fe1 C1 2.00(2) . ?
Fe1 C4 2.025(13) . ?
Fe1 C8 2.030(11) . ?
Fe1 C2 2.045(15) . ?
Fe1 C9 2.046(11) . ?
Fe1 C6 2.060(11) . ?
Fe1 C10 2.063(10) . ?
Fe1 C5 2.064(12) . ?
Fe1 C7 2.077(8) . ?
Fe2 C23 2.024(10) . ?
Fe2 C21 2.024(9) . ?
Fe2 C22 2.030(10) . ?
Fe2 C24 2.035(9) . ?
Fe2 C19 2.043(10) . ?
Fe2 C27 2.048(9) . ?
Fe2 C28 2.052(8) . ?
Fe2 C20 2.058(9) . ?
Fe2 C25 2.060(9) . ?
Fe2 C26 2.062(9) . ?
N1 C41 1.319(10) . ?
N1 C37 1.353(10) . ?
N2 C43 1.328(11) . ?
N2 C47 1.371(10) . ?
O1 C18 1.202(10) . ?
O2 C18 1.251(10) . ?
O3 C11 1.221(11) . ?
O4 C36 1.284(9) . ?
O5 C36 1.231(8) . ?
O6 C29 1.237(9) . ?
C1 C5 1.33(2) . ?
C1 C2 1.34(2) . ?
C2 C3 1.38(2) . ?
C3 C4 1.41(2) . ?
C4 C5 1.33(2) . ?
C6 C7 1.42(2) . ?
C6 C10 1.430(13) . ?
C7 C8 1.40(2) . ?
C8 C9 1.43(2) . ?
C9 C10 1.442(15) . ?
C10 C11 1.495(13) . ?
C11 C12 1.451(14) . ?
C12 C17 1.399(13) . ?
C12 C13 1.426(13) . ?
C13 C14 1.34(2) . ?
C14 C15 1.40(2) . ?
C15 C16 1.363(14) . ?
C16 C17 1.430(14) . ?
C17 C18 1.553(12) . ?
C19 C20 1.408(15) . ?
C19 C23 1.43(2) . ?
C20 C21 1.371(14) . ?
C21 C22 1.398(14) . ?
C22 C23 1.393(13) . ?
C24 C25 1.407(13) . ?
C24 C28 1.438(11) . ?
C25 C26 1.419(14) . ?
C26 C27 1.416(13) . ?
C27 C28 1.418(10) . ?
C28 C29 1.453(11) . ?
C29 C30 1.522(11) . ?
C30 C31 1.379(12) . ?
C30 C35 1.388(11) . ?
C31 C32 1.358(14) . ?
C32 C33 1.37(2) . ?
C33 C34 1.362(14) . ?
C34 C35 1.403(11) . ?
C35 C36 1.495(11) . ?
C37 C38 1.365(11) . ?
C38 C39 1.367(11) . ?
C39 C40 1.412(11) . ?
C39 C42 1.453(10) . ?
C40 C41 1.385(11) . ?
C42 C48 1.327(12) 1_445 ?
C43 C44 1.382(11) . ?
C44 C45 1.388(11) . ?
C45 C46 1.360(11) . ?
C45 C48 1.465(11) . ?
C46 C47 1.380(11) . ?
C48 C42 1.327(12) 1_665 ?
