#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/22/8102231.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_8102231
loop_
_publ_author_name
'Le-Qing Fan'
'Ji-Huai Wu'
_publ_section_title
;
 Crystal structure of tris(2,2'-bipyridine)iron(II)
 catena-bis((tris-μ-iodo)-plumbate(II)), [Fe(C10H8N2)3][PbI3]2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              72
_journal_volume                  223
_journal_year                    2008
_chemical_formula_moiety         'C30 H24 N6 Fe 2+, 2(I3 Pb)-'
_chemical_formula_structural     '[Fe(C10H8N2)3][PbI3]2'
_chemical_formula_sum            'C30 H24 Fe I6 N6 Pb2'
_chemical_formula_weight         1700.18
_chemical_name_systematic
; 
tris(2,2'-bipyridine)iron(II) catena-bis((tris-μ-iodo)-plumbate(II)) 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.534(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.906(2)
_cell_length_b                   14.6045(16)
_cell_length_c                   16.536(3)
_cell_measurement_reflns_used    7707
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.51
_cell_measurement_theta_min      3.01
_cell_volume                     4000.4(10)
_computing_cell_refinement       'CrystalClear (Rigaku, 2000)'
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        'CrystalClear (Rigaku, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID and Mercury CCD'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            19641
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    13.414
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needlike
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.774
_refine_diff_density_min         -1.324
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.245
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5091
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.227
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0759
_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)+(0.0200P)²+130.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1419
_reflns_number_gt                4285
_reflns_number_total             5091
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2173.cff
_cod_data_source_block           12672173
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4000.3(9)
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8102231
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.25088(15) 0.74574(19) 0.1909(2) 0.0428(8) Uani 1 4 e d . . .
N1 N 0.1940(9) 0.8338(10) 0.1098(12) 0.038(5) Uani 1 4 e d . . .
N2 N 0.3070(10) 0.7165(11) 0.1019(12) 0.045(5) Uani 1 4 e d . . .
N3 N 0.3386(9) 0.8325(10) 0.2325(11) 0.038(5) Uani 1 4 e d . . .
N4 N 0.3209(9) 0.6635(10) 0.2671(11) 0.041(5) Uani 1 4 e d . . .
N5 N 0.1881(9) 0.7810(11) 0.2758(13) 0.052(5) Uani 1 4 e d . . .
N6 N 0.1628(12) 0.6574(13) 0.1599(15) 0.071(7) Uani 1 4 e d . . .
C1 C 0.1319(13) 0.8816(14) 0.1182(16) 0.052(6) Uani 1 4 e d U . .
H1A H 0.1099 0.8740 0.1649 0.063 Uiso 1 4 e calc R . .
C2 C 0.0971(14) 0.9456(16) 0.0570(17) 0.063(7) Uani 1 4 e d U . .
H2A H 0.0508 0.9777 0.0619 0.076 Uiso 1 4 e calc R . .
C3 C 0.1320(16) 0.9592(18) -0.0082(19) 0.075(8) Uani 1 4 e d U . .
H3A H 0.1115 1.0036 -0.0471 0.089 Uiso 1 4 e calc R . .
C4 C 0.1976(15) 0.9081(17) -0.0176(18) 0.069(7) Uani 1 4 e d U . .
H4A H 0.2210 0.9141 -0.0636 0.083 Uiso 1 4 e calc R . .
C5 C 0.2275(14) 0.8462(15) 0.0462(17) 0.051(6) Uani 1 4 e d U . .
C6 C 0.2995(15) 0.7820(17) 0.0450(17) 0.064(7) Uani 1 4 e d U . .
C7 C 0.3531(18) 0.794(2) -0.007(2) 0.090(9) Uani 1 4 e d U . .
H7A H 0.3485 0.8432 -0.0440 0.108 Uiso 1 4 e calc R . .
C8 C 0.4150(17) 0.729(2) -0.0027(19) 0.083(9) Uani 1 4 e d U . .
H8A H 0.4536 0.7355 -0.0352 0.100 Uiso 1 4 e calc R . .
C9 C 0.4188(16) 0.6598(19) 0.0459(18) 0.073(8) Uani 1 4 e d U . .
H9A H 0.4567 0.6138 0.0453 0.087 Uiso 1 4 e calc R . .
C10 C 0.3631(16) 0.6547(19) 0.1017(18) 0.074(8) Uani 1 4 e d U . .
H10A H 0.3672 0.6060 0.1385 0.089 Uiso 1 4 e calc R . .
C11 C 0.3427(11) 0.9201(12) 0.2173(13) 0.038(5) Uani 1 4 e d U . .
H11A H 0.3000 0.9477 0.1815 0.046 Uiso 1 4 e calc R . .
C12 C 0.4067(13) 0.9719(16) 0.2518(15) 0.060(6) Uani 1 4 e d U . .
H12A H 0.4038 1.0350 0.2442 0.072 Uiso 1 4 e calc R . .
C13 C 0.4752(13) 0.9354(14) 0.2971(15) 0.051(6) Uani 1 4 e d U . .
H13A H 0.5206 0.9706 0.3176 0.061 Uiso 1 4 e calc R . .
C14 C 0.4727(12) 0.8418(14) 0.3106(14) 0.047(6) Uani 1 4 e d U . .
H14A H 0.5179 0.8128 0.3413 0.056 Uiso 1 4 e calc R . .
C15 C 0.4049(11) 0.7907(13) 0.2797(13) 0.035(5) Uani 1 4 e d U . .
C16 C 0.3949(11) 0.6936(13) 0.2958(13) 0.035(5) Uani 1 4 e d U . .
C17 C 0.4565(14) 0.6396(15) 0.3384(16) 0.059(6) Uani 1 4 e d U . .
H17A H 0.5085 0.6623 0.3559 0.071 Uiso 1 4 e calc R . .
C18 C 0.4369(16) 0.5502(18) 0.3536(18) 0.077(8) Uani 1 4 e d U . .
H18A H 0.4764 0.5116 0.3826 0.092 Uiso 1 4 e calc R . .
C19 C 0.3618(14) 0.5184(17) 0.3271(16) 0.065(7) Uani 1 4 e d U . .
H19A H 0.3492 0.4582 0.3379 0.078 Uiso 1 4 e calc R . .
C20 C 0.3048(14) 0.5741(14) 0.2848(15) 0.053(6) Uani 1 4 e d U . .
H20A H 0.2528 0.5515 0.2670 0.063 Uiso 1 4 e calc R . .
C21 C 0.2108(17) 0.8436(19) 0.3361(19) 0.080(8) Uani 1 4 e d U . .
H21A H 0.2597 0.8742 0.3398 0.096 Uiso 1 4 e calc R . .
C22 C 0.161(2) 0.864(3) 0.394(2) 0.115(12) Uani 1 4 e d U . .
H22A H 0.1769 0.9058 0.4363 0.137 Uiso 1 4 e calc R . .
C23 C 0.090(2) 0.817(2) 0.384(2) 0.103(11) Uani 1 4 e d U . .
H23A H 0.0553 0.8323 0.4190 0.124 Uiso 1 4 e calc R . .
C24 C 0.0684(18) 0.756(2) 0.3306(19) 0.087(9) Uani 1 4 e d U . .
H24A H 0.0193 0.7257 0.3273 0.104 Uiso 1 4 e calc R . .
C25 C 0.1198(16) 0.7327(18) 0.2761(18) 0.074(8) Uani 1 4 e d U . .
C26 C 0.1041(15) 0.6679(17) 0.2080(18) 0.065(7) Uani 1 4 e d U . .
C27 C 0.0371(15) 0.6144(17) 0.1916(18) 0.072(7) Uani 1 4 e d U . .
H27A H -0.0041 0.6207 0.2210 0.086 Uiso 1 4 e calc R . .
C28 C 0.0325(18) 0.550(2) 0.1293(19) 0.085(9) Uani 1 4 e d U . .
H28A H -0.0145 0.5156 0.1171 0.102 Uiso 1 4 e calc R . .
C29 C 0.0884(17) 0.533(2) 0.0851(19) 0.086(9) Uani 1 4 e d U . .
H29A H 0.0848 0.4861 0.0469 0.104 Uiso 1 4 e calc R . .
C30 C 0.1556(18) 0.596(2) 0.103(2) 0.086(9) Uani 1 4 e d U . .
H30A H 0.1956 0.5925 0.0718 0.103 Uiso 1 4 e calc R . .
Pb1 Pb 0.23596(5) 0.25224(7) 0.65875(6) 0.0534(3) Uani 1 4 e d . . .
Pb2 Pb 0.23863(5) 0.23585(6) 0.40941(6) 0.0469(3) Uani 1 4 e d . . .
I1 I 0.08691(8) 0.25347(13) 0.50523(11) 0.0635(5) Uani 1 4 e d . . .
I2 I 0.30919(12) 0.09104(13) 0.55771(14) 0.0854(7) Uani 1 4 e d . . .
I3 I 0.32366(9) 0.38329(11) 0.54451(11) 0.0601(5) Uani 1 4 e d . . .
I4 I 0.38757(8) 0.24536(11) 0.31561(10) 0.0557(5) Uani 1 4 e d . . .
I5 I 0.17405(10) 0.08699(11) 0.26512(13) 0.0759(6) Uani 1 4 e d . . .
I6 I 0.15009(10) 0.37762(11) 0.27770(12) 0.0648(5) Uani 1 4 e 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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Fe1 N4 91.6(7) . . ?
N2 Fe1 N6 96.8(9) . . ?
N4 Fe1 N6 95.5(7) . . ?
N2 Fe1 N1 82.7(7) . . ?
N4 Fe1 N1 172.2(7) . . ?
N6 Fe1 N1 90.6(7) . . ?
N2 Fe1 N3 87.6(7) . . ?
N4 Fe1 N3 81.6(6) . . ?
N6 Fe1 N3 174.8(9) . . ?
N1 Fe1 N3 92.8(6) . . ?
N2 Fe1 N5 175.8(7) . . ?
N4 Fe1 N5 92.5(7) . . ?
N6 Fe1 N5 82.5(9) . . ?
N1 Fe1 N5 93.2(7) . . ?
N3 Fe1 N5 93.4(7) . . ?
C1 N1 C5 120(2) . . ?
C1 N1 Fe1 125.3(17) . . ?
C5 N1 Fe1 114.2(13) . . ?
C10 N2 C6 117(2) . . ?
C10 N2 Fe1 127.9(18) . . ?
C6 N2 Fe1 112.6(15) . . ?
C11 N3 C15 118.3(17) . . ?
C11 N3 Fe1 128.9(14) . . ?
C15 N3 Fe1 112.6(12) . . ?
C16 N4 C20 116.8(17) . . ?
C16 N4 Fe1 115.8(13) . . ?
C20 N4 Fe1 126.7(14) . . ?
C25 N5 C21 118(2) . . ?
C25 N5 Fe1 116.3(17) . . ?
C21 N5 Fe1 125.6(17) . . ?
C30 N6 C26 121(2) . . ?
C30 N6 Fe1 127(2) . . ?
C26 N6 Fe1 111.6(18) . . ?
N1 C1 C2 121(2) . . ?
N1 C1 H1A 119.6 . . ?
C2 C1 H1A 119.6 . . ?
C3 C2 C1 119(2) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C4 120(3) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C5 C4 C3 116(3) . . ?
C5 C4 H4A 121.8 . . ?
C3 C4 H4A 121.8 . . ?
N1 C5 C4 123(2) . . ?
N1 C5 C6 113(2) . . ?
C4 C5 C6 123(3) . . ?
N2 C6 C7 124(2) . . ?
N2 C6 C5 113(2) . . ?
C7 C6 C5 123(3) . . ?
C6 C7 C8 117(3) . . ?
C6 C7 H7A 121.6 . . ?
C8 C7 H7A 121.6 . . ?
C9 C8 C7 121(3) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C8 C9 C10 119(3) . . ?
C8 C9 H9A 120.5 . . ?
C10 C9 H9A 120.5 . . ?
N2 C10 C9 122(3) . . ?
N2 C10 H10A 119.0 . . ?
C9 C10 H10A 119.0 . . ?
N3 C11 C12 122(2) . . ?
N3 C11 H11A 118.8 . . ?
C12 C11 H11A 118.8 . . ?
C11 C12 C13 122(2) . . ?
C11 C12 H12A 118.8 . . ?
C13 C12 H12A 118.8 . . ?
C12 C13 C14 115(2) . . ?
C12 C13 H13A 122.4 . . ?
C14 C13 H13A 122.4 . . ?
C15 C14 C13 122(2) . . ?
C15 C14 H14A 119.2 . . ?
C13 C14 H14A 119.2 . . ?
C14 C15 N3 119.6(18) . . ?
C14 C15 C16 125.3(18) . . ?
N3 C15 C16 115.1(16) . . ?
N4 C16 C17 123.8(19) . . ?
N4 C16 C15 113.1(17) . . ?
C17 C16 C15 123.0(18) . . ?
C18 C17 C16 117(2) . . ?
C18 C17 H17A 121.7 . . ?
C16 C17 H17A 121.7 . . ?
C19 C18 C17 121(3) . . ?
C19 C18 H18A 119.5 . . ?
C17 C18 H18A 119.5 . . ?
C20 C19 C18 120(2) . . ?
C20 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C19 C20 N4 122(2) . . ?
C19 C20 H20A 118.9 . . ?
N4 C20 H20A 118.9 . . ?
N5 C21 C22 121(3) . . ?
N5 C21 H21A 119.5 . . ?
C22 C21 H21A 119.5 . . ?
C23 C22 C21 116(4) . . ?
C23 C22 H22A 121.8 . . ?
C21 C22 H22A 121.8 . . ?
C24 C23 C22 124(4) . . ?
C24 C23 H23A 117.8 . . ?
C22 C23 H23A 117.8 . . ?
C23 C24 C25 119(3) . . ?
C23 C24 H24A 120.5 . . ?
C25 C24 H24A 120.5 . . ?
N5 C25 C24 121(3) . . ?
N5 C25 C26 111(2) . . ?
C24 C25 C26 127(3) . . ?
C27 C26 N6 119(3) . . ?
C27 C26 C25 123(3) . . ?
N6 C26 C25 118(2) . . ?
C26 C27 C28 117(3) . . ?
C26 C27 H27A 121.4 . . ?
C28 C27 H27A 121.4 . . ?
C29 C28 C27 127(3) . . ?
C29 C28 H28A 116.7 . . ?
C27 C28 H28A 116.7 . . ?
C28 C29 C30 113(3) . . ?
C28 C29 H29A 123.7 . . ?
C30 C29 H29A 123.7 . . ?
N6 C30 C29 123(3) . . ?
N6 C30 H30A 118.4 . . ?
C29 C30 H30A 118.4 . . ?
I1 Pb1 I5 97.96(5) . 4_566 ?
I1 Pb1 I3 85.06(5) . . ?
I5 Pb1 I3 97.10(5) 4_566 . ?
I1 Pb1 I4 179.05(6) . 4_566 ?
I5 Pb1 I4 81.25(5) 4_566 4_566 ?
I3 Pb1 I4 94.51(5) . 4_566 ?
I1 Pb1 I2 85.25(5) . . ?
I5 Pb1 I2 176.65(6) 4_566 . ?
I3 Pb1 I2 82.16(5) . . ?
I4 Pb1 I2 95.54(5) 4_566 . ?
I1 Pb1 I6 96.11(5) . 4_566 ?
I5 Pb1 I6 82.13(5) 4_566 4_566 ?
I3 Pb1 I6 178.67(6) . 4_566 ?
I4 Pb1 I6 84.31(5) 4_566 4_566 ?
I2 Pb1 I6 98.55(6) . 4_566 ?
I6 Pb2 I4 87.01(5) . . ?
I6 Pb2 I3 97.13(5) . . ?
I4 Pb2 I3 91.25(5) . . ?
I6 Pb2 I5 83.62(5) . . ?
I4 Pb2 I5 81.68(5) . . ?
I3 Pb2 I5 172.84(5) . . ?
I6 Pb2 I2 172.26(6) . . ?
I4 Pb2 I2 100.72(5) . . ?
I3 Pb2 I2 82.38(5) . . ?
I5 Pb2 I2 97.82(6) . . ?
I6 Pb2 I1 88.46(5) . . ?
I4 Pb2 I1 173.03(5) . . ?
I3 Pb2 I1 84.06(5) . . ?
I5 Pb2 I1 103.09(5) . . ?
I2 Pb2 I1 83.80(5) . . ?
Pb1 I1 Pb2 79.35(4) . . ?
Pb1 I2 Pb2 78.43(5) . . ?
Pb2 I3 Pb1 79.48(4) . . ?
Pb2 I4 Pb1 79.47(4) . 4_565 ?
Pb1 I5 Pb2 79.38(4) 4_565 . ?
Pb2 I6 Pb1 80.13(4) . 4_565 ?
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
Fe1 N2 1.951(19) . ?
Fe1 N4 1.958(16) . ?
Fe1 N6 1.96(2) . ?
Fe1 N1 1.965(17) . ?
Fe1 N3 1.967(16) . ?
Fe1 N5 1.990(19) . ?
N1 C1 1.29(2) . ?
N1 C5 1.30(3) . ?
N2 C10 1.31(3) . ?
N2 C6 1.33(3) . ?
N3 C11 1.31(2) . ?
N3 C15 1.37(2) . ?
N4 C16 1.32(2) . ?
N4 C20 1.38(2) . ?
N5 C25 1.35(3) . ?
N5 C21 1.35(3) . ?
N6 C30 1.28(3) . ?
N6 C26 1.40(3) . ?
C1 C2 1.42(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.34(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.37(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.40(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.54(3) . ?
C6 C7 1.39(4) . ?
C7 C8 1.41(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.28(3) . ?
C8 H8A 0.9300 . ?
C9 C10 1.45(4) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.35(3) . ?
C11 H11A 0.9300 . ?
C12 C13 1.36(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.39(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.38(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.46(3) . ?
C16 C17 1.38(3) . ?
C17 C18 1.38(3) . ?
C17 H17A 0.9300 . ?
C18 C19 1.34(3) . ?
C18 H18A 0.9300 . ?
C19 C20 1.35(3) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.42(4) . ?
C21 H21A 0.9300 . ?
C22 C23 1.36(4) . ?
C22 H22A 0.9300 . ?
C23 C24 1.27(4) . ?
C23 H23A 0.9300 . ?
C24 C25 1.41(4) . ?
C24 H24A 0.9300 . ?
C25 C26 1.46(4) . ?
C26 C27 1.36(3) . ?
C27 C28 1.38(4) . ?
C27 H27A 0.9300 . ?
C28 C29 1.33(4) . ?
C28 H28A 0.9300 . ?
C29 C30 1.45(4) . ?
C29 H29A 0.9300 . ?
C30 H30A 0.9300 . ?
Pb1 I1 3.1995(19) . ?
Pb1 I5 3.231(2) 4_566 ?
Pb1 I3 3.248(2) . ?
Pb1 I4 3.2619(18) 4_566 ?
Pb1 I2 3.270(2) . ?
Pb1 I6 3.273(2) 4_566 ?
Pb2 I6 3.1570(18) . ?
Pb2 I4 3.2136(18) . ?
Pb2 I3 3.2263(19) . ?
Pb2 I5 3.251(2) . ?
Pb2 I2 3.277(2) . ?
Pb2 I1 3.2835(18) . ?
I4 Pb1 3.2619(18) 4_565 ?
I5 Pb1 3.231(2) 4_565 ?
I6 Pb1 3.273(2) 4_565 ?
