#------------------------------------------------------------------------------
#$Date: 2019-11-23 10:34:00 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232890 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/83/4348367.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_4348367
loop_
_publ_author_name
'Liu, Guangfeng'
'Liu, Jie'
'Sun, Zhihua'
'Zhang, Zhenyi'
'Chang, Lei'
'Wang, Junling'
'Tao, Xutang'
'Zhang, Qichun'
_publ_section_title
;
 Thermally Induced Reversible Double Phase Transitions in an
 Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8025
_journal_page_last               8030
_journal_paper_doi               10.1021/acs.inorgchem.6b01143
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C8 H24 I6 N2 Pb2'
_chemical_formula_weight         1324.07
_space_group_IT_number           6
_space_group_name_Hall           'P -2y'
_space_group_name_H-M_alt        'P 1 m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 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                 119.980(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6621(16)
_cell_length_b                   15.840(3)
_cell_length_c                   9.6626(16)
_cell_measurement_reflns_used    6171
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      28.76
_cell_measurement_theta_min      2.43
_cell_volume                     1281.0(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0491
_diffrn_reflns_av_sigmaI/netI    0.0763
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6158
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    20.348
_exptl_absorpt_correction_T_max  0.0999
_exptl_absorpt_correction_T_min  0.0350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    3.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         3.689
_refine_diff_density_min         -2.580
_refine_diff_density_rms         0.426
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         3433
_refine_ls_number_restraints     243
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0664
_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)+(0.0802P)²+46.0204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1816
_refine_ls_wR_factor_ref         0.1821
_reflns_number_gt                3413
_reflns_number_total             3433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01143_si_003.cif
_cod_data_source_block           new
_cod_original_sg_symbol_H-M      'P m'
_cod_database_code               4348367
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
I1 I 0.5541(12) 0.0000 0.0592(8) 0.091(2) Uani 1 2 d S
I2 I 0.3846(8) 0.2614(2) -0.2130(7) 0.0779(16) Uani 1 1 d .
I3 I 0.4298(7) 0.2413(2) 0.2610(5) 0.0733(17) Uani 1 1 d .
I4 I 0.5530(5) 0.5000 0.1022(6) 0.0551(13) Uani 1 2 d S
I5 I 0.1290(4) 0.5000 0.1484(4) 0.0350(8) Uani 1 2 d S
I6 I 0.0738(4) 0.5000 -0.3337(4) 0.0381(10) Uani 1 2 d S
I7 I -0.0540(5) 0.24815(16) -0.1672(6) 0.0585(10) Uani 1 1 d .
I8 I 0.1341(13) 0.0000 0.1290(11) 0.093(2) Uani 1 2 d S
I9 I 0.0982(11) 0.0000 -0.3595(10) 0.107(3) Uani 1 2 d S
Pb1 Pb 0.2556(5) 0.12538(15) -0.0523(4) 0.0754(10) Uani 1 1 d .
Pb2 Pb 0.2503(2) 0.37491(11) -0.0336(2) 0.0383(3) Uani 1 1 d .
N1 N 0.570(4) 0.5000 0.633(4) 0.050(8) Uani 1 2 d SDU
C1 C 0.577(4) 0.429(2) 0.540(4) 0.057(7) Uani 1 1 d DU
H1A H 0.4839 0.4303 0.4324 0.085 Uiso 1 1 calc R
H1B H 0.5783 0.3759 0.5927 0.085 Uiso 1 1 calc R
H1C H 0.6750 0.4332 0.5333 0.085 Uiso 1 1 calc R
C2 C 0.420(5) 0.5000 0.634(6) 0.055(8) Uani 1 2 d SDU
H2A H 0.3305 0.5000 0.5239 0.083 Uiso 1 2 calc SR
H2B H 0.4141 0.5505 0.6895 0.083 Uiso 0.50 1 calc PR
H2C H 0.4141 0.4495 0.6895 0.083 Uiso 0.50 1 calc PR
C3 C 0.706(5) 0.5000 0.793(4) 0.055(8) Uani 1 2 d SDU
H3A H 0.8047 0.5000 0.7886 0.082 Uiso 1 2 calc SR
H3B H 0.7023 0.4495 0.8502 0.082 Uiso 0.50 1 calc PR
H3C H 0.7023 0.5505 0.8502 0.082 Uiso 0.50 1 calc PR
N2 N 0.608(3) 0.0000 0.629(3) 0.026(6) Uani 1 2 d SDU
C4 C 0.661(5) 0.0000 0.511(4) 0.046(7) Uani 1 2 d SDU
H4A H 0.5677 0.0000 0.4027 0.069 Uiso 1 2 calc SR
H4B H 0.7256 -0.0505 0.5249 0.069 Uiso 0.50 1 calc PR
H4C H 0.7256 0.0505 0.5249 0.069 Uiso 0.50 1 calc PR
C5 C 0.516(4) 0.0774(17) 0.609(4) 0.047(6) Uani 1 1 d DU
H5A H 0.4209 0.0779 0.5020 0.071 Uiso 1 1 calc R
H5B H 0.5823 0.1268 0.6210 0.071 Uiso 1 1 calc R
H5C H 0.4832 0.0792 0.6897 0.071 Uiso 1 1 calc R
C6 C 0.750(4) 0.0000 0.788(4) 0.044(7) Uani 1 2 d SDU
H6A H 0.8114 -0.0516 0.8027 0.066 Uiso 0.50 1 calc PR
H6B H 0.7166 0.0022 0.8690 0.066 Uiso 1 2 calc SR
H6C H 0.8156 0.0494 0.7998 0.066 Uiso 0.50 1 calc PR
N3 N 0.909(4) 0.2560(17) 0.300(4) 0.091(10) Uani 1 1 d DU
C7 C 0.909(7) 0.265(3) 0.451(5) 0.098(10) Uani 1 1 d DU
H7A H 0.7995 0.2622 0.4309 0.147 Uiso 1 1 calc R
H7B H 0.9576 0.3188 0.5009 0.147 Uiso 1 1 calc R
H7C H 0.9716 0.2184 0.5232 0.147 Uiso 1 1 calc R
C8 C 0.815(6) 0.325(2) 0.194(5) 0.102(10) Uani 1 1 d DU
H8A H 0.7056 0.3222 0.1742 0.152 Uiso 1 1 calc R
H8B H 0.8142 0.3196 0.0922 0.152 Uiso 1 1 calc R
H8C H 0.8634 0.3790 0.2437 0.152 Uiso 1 1 calc R
C9 C 0.835(6) 0.175(2) 0.228(5) 0.100(10) Uani 1 1 d DU
H9A H 0.7256 0.1738 0.2082 0.150 Uiso 1 1 calc R
H9B H 0.8970 0.1291 0.2999 0.150 Uiso 1 1 calc R
H9C H 0.8339 0.1686 0.1260 0.150 Uiso 1 1 calc R
C10 C 1.071(5) 0.259(3) 0.329(7) 0.101(11) Uani 1 1 d DU
H10A H 1.1190 0.3134 0.3782 0.151 Uiso 1 1 calc R
H10B H 1.0699 0.2529 0.2281 0.151 Uiso 1 1 calc R
H10C H 1.1330 0.2131 0.4017 0.151 Uiso 1 1 calc R
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'
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
Pb1 I1 Pb1 76.4(3) 2 .
Pb2 I2 Pb1 75.90(15) . .
Pb1 I3 Pb2 75.43(12) . .
Pb2 I4 Pb2 75.97(12) 2_565 .
Pb2 I5 Pb2 75.59(12) . 2_565
Pb2 I6 Pb2 76.25(11) 2_565 .
Pb2 I7 Pb1 74.88(14) . .
Pb1 I8 Pb1 75.8(2) 2 .
Pb1 I9 Pb1 75.4(2) . 2
I3 Pb1 I1 94.5(2) . .
I3 Pb1 I8 90.1(2) . .
I1 Pb1 I8 86.9(2) . .
I3 Pb1 I2 85.74(16) . .
I1 Pb1 I2 94.3(2) . .
I8 Pb1 I2 175.7(2) . .
I3 Pb1 I9 176.4(3) . .
I1 Pb1 I9 82.0(2) . .
I8 Pb1 I9 89.3(2) . .
I2 Pb1 I9 94.9(2) . .
I3 Pb1 I7 86.51(15) . .
I1 Pb1 I7 178.4(2) . .
I8 Pb1 I7 91.8(2) . .
I2 Pb1 I7 87.01(14) . .
I9 Pb1 I7 97.0(2) . .
I2 Pb2 I6 91.94(13) . .
I2 Pb2 I4 92.00(16) . .
I6 Pb2 I4 87.27(10) . .
I2 Pb2 I5 176.22(15) . .
I6 Pb2 I5 86.55(9) . .
I4 Pb2 I5 84.47(11) . .
I2 Pb2 I7 88.21(15) . .
I6 Pb2 I7 93.20(11) . .
I4 Pb2 I7 179.48(18) . .
I5 Pb2 I7 95.32(13) . .
I2 Pb2 I3 85.71(14) . .
I6 Pb2 I3 177.47(14) . .
I4 Pb2 I3 93.73(14) . .
I5 Pb2 I3 95.85(13) . .
I7 Pb2 I3 85.80(13) . .
C3 N1 C2 111.5(16) . .
C3 N1 C1 111.1(13) . .
C2 N1 C1 111.0(13) . .
C3 N1 C1 111.1(13) . 2_565
C2 N1 C1 111.0(13) . 2_565
C1 N1 C1 101(4) . 2_565
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C6 N2 C5 109.0(12) . .
C6 N2 C5 109.0(12) . 2
C5 N2 C5 113(4) . 2
C6 N2 C4 108.2(16) . .
C5 N2 C4 108.7(12) . .
C5 N2 C4 108.7(12) 2 .
N2 C4 H4A 109.5 . .
N2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C10 N3 C9 110.1(14) . .
C10 N3 C8 110.0(14) . .
C9 N3 C8 109.6(14) . .
C10 N3 C7 109.7(14) . .
C9 N3 C7 108.5(13) . .
C8 N3 C7 108.9(13) . .
N3 C7 H7A 109.5 . .
N3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N3 C8 H8A 109.5 . .
N3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N3 C10 H10A 109.5 . .
N3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Pb1 3.213(9) 2
I1 Pb1 3.213(9) .
I2 Pb2 3.190(5) .
I2 Pb1 3.246(6) .
I3 Pb1 3.206(5) .
I3 Pb2 3.264(4) .
I4 Pb2 3.219(4) 2_565
I4 Pb2 3.220(4) .
I5 Pb2 3.233(4) .
I5 Pb2 3.233(4) 2_565
I6 Pb2 3.209(4) 2_565
I6 Pb2 3.209(4) .
I7 Pb2 3.248(4) .
I7 Pb1 3.263(6) .
I8 Pb1 3.232(7) 2
I8 Pb1 3.232(7) .
I9 Pb1 3.249(7) .
I9 Pb1 3.249(7) 2
N1 C3 1.446(19) .
N1 C2 1.454(19) .
N1 C1 1.463(18) .
N1 C1 1.463(18) 2_565
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
N2 C6 1.461(19) .
N2 C5 1.470(18) .
N2 C5 1.470(18) 2
N2 C4 1.470(19) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
N3 C10 1.443(19) .
N3 C9 1.461(19) .
N3 C8 1.461(19) .
N3 C7 1.465(19) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2A I5 0.98 3.15 4.09(5) 162.6 .
C2 H2C I2 0.98 3.18 4.135(17) 164.8 1_556
C2 H2B I2 0.98 3.18 4.135(17) 164.8 2_566
C3 H3A I5 0.98 3.32 3.80(3) 112.5 1_656
C4 H4A I1 0.98 3.26 3.95(3) 129.1 .
C4 H4C I9 0.98 3.29 3.76(4) 111.0 1_656
C6 H6B I1 0.98 2.95 3.92(4) 168.6 1_556
C7 H7A I3 0.98 3.12 4.06(6) 162.3 .
C7 H7B I6 0.98 3.20 4.18(5) 172.5 1_656
C9 H9A I1 0.98 3.16 3.65(3) 112.2 .
C2 H2A I5 0.98 3.15 4.09(5) 162.6 .
C2 H2C I2 0.98 3.18 4.135(17) 164.8 1_556
C2 H2B I2 0.98 3.18 4.135(17) 164.8 2_566
C3 H3A I5 0.98 3.32 3.80(3) 112.5 1_656
C4 H4A I1 0.98 3.26 3.95(3) 129.1 .
C4 H4C I9 0.98 3.29 3.76(4) 111.0 1_656
C6 H6B I1 0.98 2.95 3.92(4) 168.6 1_556
C7 H7A I3 0.98 3.12 4.06(6) 162.3 .
C7 H7B I6 0.98 3.20 4.18(5) 172.5 1_656
C8 H8A I3 0.98 3.42 4.30(6) 150.4 .
C9 H9A I1 0.98 3.16 3.65(3) 112.2 .
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
Pb2 I3 Pb1 I1 137.33(15) .
Pb2 I3 Pb1 I8 -135.7(2) .
Pb2 I3 Pb1 I2 43.32(17) .
Pb2 I3 Pb1 I9 143(4) .
Pb2 I3 Pb1 I7 -43.94(16) .
Pb1 I1 Pb1 I3 132.04(14) 2
Pb1 I1 Pb1 I8 42.2(2) 2
Pb1 I1 Pb1 I2 -141.91(13) 2
Pb1 I1 Pb1 I9 -47.6(2) 2
Pb1 I1 Pb1 I7 4(8) 2
Pb1 I8 Pb1 I3 -136.46(19) 2
Pb1 I8 Pb1 I1 -42.0(2) 2
Pb1 I8 Pb1 I2 -149(4) 2
Pb1 I8 Pb1 I9 40.0(3) 2
Pb1 I8 Pb1 I7 137.03(18) 2
Pb2 I2 Pb1 I3 -44.47(17) .
Pb2 I2 Pb1 I1 -138.64(16) .
Pb2 I2 Pb1 I8 -31(4) .
Pb2 I2 Pb1 I9 139.1(2) .
Pb2 I2 Pb1 I7 42.25(14) .
Pb1 I9 Pb1 I3 41(5) 2
Pb1 I9 Pb1 I1 47.2(2) 2
Pb1 I9 Pb1 I8 -39.9(3) 2
Pb1 I9 Pb1 I2 140.85(17) 2
Pb1 I9 Pb1 I7 -131.57(15) 2
Pb2 I7 Pb1 I3 44.35(15) .
Pb2 I7 Pb1 I1 172(8) .
Pb2 I7 Pb1 I8 134.34(18) .
Pb2 I7 Pb1 I2 -41.56(15) .
Pb2 I7 Pb1 I9 -136.11(19) .
Pb1 I2 Pb2 I6 -135.58(13) .
Pb1 I2 Pb2 I4 137.08(13) .
Pb1 I2 Pb2 I5 158(3) .
Pb1 I2 Pb2 I7 -42.44(15) .
Pb1 I2 Pb2 I3 43.49(18) .
Pb2 I6 Pb2 I2 -133.68(13) 2_565
Pb2 I6 Pb2 I4 -41.77(13) 2_565
Pb2 I6 Pb2 I5 42.85(11) 2_565
Pb2 I6 Pb2 I7 138.00(10) 2_565
Pb2 I6 Pb2 I3 -155(4) 2_565
Pb2 I4 Pb2 I2 133.52(11) 2_565
Pb2 I4 Pb2 I6 41.67(13) 2_565
Pb2 I4 Pb2 I5 -45.12(12) 2_565
Pb2 I4 Pb2 I7 -112(16) 2_565
Pb2 I4 Pb2 I3 -140.65(12) 2_565
Pb2 I5 Pb2 I2 24(3) 2_565
Pb2 I5 Pb2 I6 -42.61(10) 2_565
Pb2 I5 Pb2 I4 44.97(11) 2_565
Pb2 I5 Pb2 I7 -135.51(10) 2_565
Pb2 I5 Pb2 I3 138.18(12) 2_565
Pb1 I7 Pb2 I2 42.42(15) .
Pb1 I7 Pb2 I6 134.26(10) .
Pb1 I7 Pb2 I4 -72(16) .
Pb1 I7 Pb2 I5 -138.91(10) .
Pb1 I7 Pb2 I3 -43.41(15) .
Pb1 I3 Pb2 I2 -44.29(19) .
Pb1 I3 Pb2 I6 -23(4) .
Pb1 I3 Pb2 I4 -136.02(14) .
Pb1 I3 Pb2 I5 139.17(13) .
Pb1 I3 Pb2 I7 44.23(18) .
