# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pc
_database_code_depnum_ccdc_archive 'CCDC 1955135'
loop_
_audit_author_name
_audit_author_address
'Mingjun Xia'
;Technical Institute of Physics and Chemistry, CAS
China
;
_audit_update_record             
;
2019-09-23 deposited with the CCDC.	2019-12-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 H4 Cd N6 O8 Pb2'
_chemical_formula_weight         814.93

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.9504(12)
_cell_length_b                   7.0252(4)
_cell_length_c                   12.0267(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.914(7)
_cell_angle_gamma                90.00
_cell_volume                     1179.66(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10595
_cell_measurement_theta_min      2.9400
_cell_measurement_theta_max      26.3620

_exptl_crystal_description       Prism
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_absorpt_coefficient_mu    30.324
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Rigaku
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6160
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.25
_diffrn_reflns_theta_max         26.37
_reflns_number_total             1206
_reflns_number_gt                1139
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0219P)²+6.2559P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1206
_refine_ls_number_parameters     109
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0197
_refine_ls_R_factor_gt           0.0181
_refine_ls_wR_factor_ref         0.0455
_refine_ls_wR_factor_gt          0.0448
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 1.055927(15) 1.20519(3) 0.607963(18) 0.01807(11) Uani 1 1 d . . .
Cd1 Cd 1.0000 0.75964(8) 0.7500 0.01442(14) Uani 1 2 d S . .
C1 C 0.6796(4) 0.4848(7) 0.4601(5) 0.0167(11) Uani 1 1 d . . .
C2 C 0.7726(4) 0.6294(8) 0.6594(5) 0.0183(11) Uani 1 1 d . . .
C3 C 0.8509(4) 0.5198(8) 0.5485(5) 0.0189(11) Uani 1 1 d . . .
N1 N 0.6852(3) 0.5750(7) 0.5626(4) 0.0187(10) Uani 1 1 d . . .
N2 N 0.7629(3) 0.4541(7) 0.4563(4) 0.0191(10) Uani 1 1 d . . .
H2 H 0.7604 0.3909 0.3935 0.023 Uiso 1 1 calc R . .
N3 N 0.8550(3) 0.6037(7) 0.6523(4) 0.0196(10) Uani 1 1 d . . .
O1 O 1.0410(3) 0.8666(6) 0.6050(3) 0.0166(8) Uani 1 1 d D . .
O2 O 0.7742(3) 0.7108(6) 0.7513(4) 0.0244(9) Uani 1 1 d . . .
O3 O 0.9212(3) 0.5042(6) 0.5329(4) 0.0246(9) Uani 1 1 d . . .
O4 O 0.6037(3) 0.4306(6) 0.3697(3) 0.0209(8) Uani 1 1 d . . .
H1 H 1.098(3) 0.811(9) 0.643(6) 0.031 Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pb1 0.01864(15) 0.01993(15) 0.01549(14) -0.00115(7) 0.00813(10) -0.00096(7)
Cd1 0.0117(3) 0.0202(3) 0.0115(3) 0.000 0.0057(2) 0.000
C1 0.017(3) 0.015(3) 0.021(3) 0.002(2) 0.011(2) 0.002(2)
C2 0.017(3) 0.017(3) 0.016(3) 0.005(2) 0.004(2) -0.002(2)
C3 0.023(3) 0.014(3) 0.023(3) 0.002(2) 0.014(3) 0.001(2)
N1 0.016(2) 0.024(2) 0.017(2) -0.0047(19) 0.009(2) -0.0019(19)
N2 0.016(2) 0.023(3) 0.020(2) -0.0082(19) 0.010(2) -0.0032(18)
N3 0.017(2) 0.022(3) 0.018(2) -0.0041(19) 0.007(2) -0.0025(18)
O1 0.0159(19) 0.019(2) 0.0144(18) 0.0057(14) 0.0066(16) 0.0035(15)
O2 0.028(2) 0.028(2) 0.023(2) -0.0030(16) 0.018(2) -0.0026(17)
O3 0.016(2) 0.027(2) 0.032(2) -0.0011(18) 0.0126(19) -0.0006(16)
O4 0.0126(19) 0.031(2) 0.0168(19) -0.0074(17) 0.0050(17) -0.0038(16)

_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O1 2.319(4) 5_776 ?
Pb1 O1 2.389(4) . ?
Pb1 N1 2.545(4) 3 ?
Cd1 O1 2.266(3) 2_756 ?
Cd1 O1 2.266(3) . ?
Cd1 N3 2.302(5) . ?
Cd1 N3 2.302(5) 2_756 ?
C1 O4 1.232(7) . ?
C1 N1 1.350(7) . ?
C1 N2 1.369(7) . ?
C2 O2 1.234(7) . ?
C2 N3 1.369(7) . ?
C2 N1 1.369(7) . ?
C3 O3 1.228(6) . ?
C3 N3 1.353(7) . ?
C3 N2 1.381(8) . ?
N1 Pb1 2.545(4) 3_445 ?
O1 Pb1 2.319(4) 5_776 ?

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
O1 Pb1 O1 76.03(14) 5_776 . ?
O1 Pb1 N1 82.05(14) 5_776 3 ?
O1 Pb1 N1 74.01(14) . 3 ?
O1 Cd1 O1 141.3(2) 2_756 . ?
O1 Cd1 N3 87.60(15) 2_756 . ?
O1 Cd1 N3 110.95(15) . . ?
O1 Cd1 N3 110.95(15) 2_756 2_756 ?
O1 Cd1 N3 87.60(15) . 2_756 ?
N3 Cd1 N3 123.2(2) . 2_756 ?
O4 C1 N1 123.6(5) . . ?
O4 C1 N2 118.5(5) . . ?
N1 C1 N2 117.9(5) . . ?
O2 C2 N3 120.8(5) . . ?
O2 C2 N1 117.5(5) . . ?
N3 C2 N1 121.6(5) . . ?
O3 C3 N3 122.7(5) . . ?
O3 C3 N2 119.7(5) . . ?
N3 C3 N2 117.6(5) . . ?
C1 N1 C2 119.9(5) . . ?
C1 N1 Pb1 131.4(4) . 3_445 ?
C2 N1 Pb1 108.4(3) . 3_445 ?
C1 N2 C3 123.1(4) . . ?
C3 N3 C2 119.7(5) . . ?
C3 N3 Cd1 105.5(3) . . ?
C2 N3 Cd1 131.5(4) . . ?
Cd1 O1 Pb1 119.45(16) . 5_776 ?
Cd1 O1 Pb1 112.50(15) . . ?
Pb1 O1 Pb1 103.97(14) 5_776 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.179
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pb
_database_code_depnum_ccdc_archive 'CCDC 1955136'
loop_
_audit_author_name
_audit_author_address
'Mingjun Xia'
;Technical Institute of Physics and Chemistry, CAS
China
;
_audit_update_record             
;
2019-09-23 deposited with the CCDC.	2019-12-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 H4 N6 O8 Pb3'
_chemical_formula_weight         909.72

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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.6034(11)
_cell_length_b                   6.7166(3)
_cell_length_c                   12.4132(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.563(6)
_cell_angle_gamma                90.00
_cell_volume                     1227.19(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5187
_cell_measurement_theta_min      3.2910
_cell_measurement_theta_max      26.3220

_exptl_crystal_description       Prism
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_absorpt_coefficient_mu    41.118
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Rigaku
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6944
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         26.36
_reflns_number_total             1260
_reflns_number_gt                1213
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0268P)²+1.2597P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1260
_refine_ls_number_parameters     108
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0451
_refine_ls_wR_factor_gt          0.0448
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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 1.062308(12) 1.20157(3) 0.609544(16) 0.01761(9) Uani 1 1 d . . .
Pb2 Pb 1.0000 0.72291(4) 0.7500 0.01499(9) Uani 1 2 d S . .
C1 C 0.6705(3) 0.4975(6) 0.4455(4) 0.0141(9) Uani 1 1 d . . .
C2 C 0.7567(3) 0.6057(7) 0.6470(4) 0.0141(9) Uani 1 1 d . . .
C3 C 0.8338(3) 0.4994(6) 0.5420(4) 0.0144(9) Uani 1 1 d . . .
N1 N 0.6741(3) 0.5747(6) 0.5476(3) 0.0152(8) Uani 1 1 d . . .
N2 N 0.7515(2) 0.4602(6) 0.4444(3) 0.0164(8) Uani 1 1 d . . .
H2 H 0.7504 0.4103 0.3799 0.020 Uiso 1 1 calc R . .
N3 N 0.8364(3) 0.5631(6) 0.6457(3) 0.0178(8) Uani 1 1 d . . .
O1 O 1.0423(2) 0.8541(5) 0.5949(3) 0.0172(7) Uani 1 1 d . . .
O2 O 0.7564(3) 0.6793(5) 0.7391(3) 0.0247(8) Uani 1 1 d . . .
O3 O 0.9043(2) 0.4808(5) 0.5300(3) 0.0220(7) Uani 1 1 d . . .
O4 O 0.5977(2) 0.4607(5) 0.3521(3) 0.0211(7) Uani 1 1 d . . .
H1 H 1.092(5) 0.809(9) 0.616(6) 0.032 Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pb1 0.01920(13) 0.01689(13) 0.01821(13) -0.00241(6) 0.00991(9) 0.00065(6)
Pb2 0.01283(15) 0.01614(16) 0.01425(15) 0.000 0.00477(11) 0.000
C1 0.017(2) 0.009(2) 0.019(2) 0.0050(17) 0.0107(19) 0.0034(17)
C2 0.020(2) 0.008(2) 0.016(2) 0.0054(18) 0.0111(19) 0.0006(18)
C3 0.016(2) 0.008(2) 0.019(2) 0.0028(17) 0.0077(19) -0.0009(17)
N1 0.0138(18) 0.015(2) 0.020(2) -0.0009(15) 0.0103(16) -0.0008(15)
N2 0.0149(19) 0.019(2) 0.0172(19) -0.0028(16) 0.0088(16) -0.0007(16)
N3 0.0132(19) 0.022(2) 0.019(2) 0.0001(16) 0.0074(16) 0.0009(16)
O1 0.0181(17) 0.0166(17) 0.0200(17) 0.0014(14) 0.0115(14) 0.0029(15)
O2 0.035(2) 0.025(2) 0.0209(18) -0.0006(14) 0.0181(17) -0.0012(16)
O3 0.0133(16) 0.0257(19) 0.0305(19) -0.0023(15) 0.0131(15) 0.0022(14)
O4 0.0132(16) 0.0235(19) 0.0213(16) -0.0035(14) 0.0034(14) 0.0019(14)

_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O1 2.349(3) 5_776 ?
Pb1 O1 2.353(4) . ?
Pb1 N1 2.467(3) 3 ?
Pb2 O1 2.495(3) 2_756 ?
Pb2 O1 2.495(3) . ?
Pb2 O4 2.617(3) 8_566 ?
Pb2 O4 2.617(3) 7_666 ?
Pb2 N3 2.637(4) . ?
Pb2 N3 2.637(4) 2_756 ?
C1 O4 1.253(6) . ?
C1 N1 1.345(6) . ?
C1 N2 1.374(5) . ?
C2 O2 1.247(5) . ?
C2 N3 1.361(6) . ?
C2 N1 1.372(6) . ?
C3 O3 1.253(6) . ?
C3 N3 1.338(6) . ?
C3 N2 1.369(6) . ?
N1 Pb1 2.467(3) 3_445 ?
O1 Pb1 2.349(3) 5_776 ?
O4 Pb2 2.617(3) 7_666 ?

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
O1 Pb1 O1 75.59(13) 5_776 . ?
O1 Pb1 N1 83.96(12) 5_776 3 ?
O1 Pb1 N1 74.52(12) . 3 ?
O1 Pb2 O1 138.65(16) 2_756 . ?
O1 Pb2 O4 70.86(11) 2_756 8_566 ?
O1 Pb2 O4 75.79(11) . 8_566 ?
O1 Pb2 O4 75.79(11) 2_756 7_666 ?
O1 Pb2 O4 70.86(11) . 7_666 ?
O4 Pb2 O4 71.43(15) 8_566 7_666 ?
O1 Pb2 N3 85.93(11) 2_756 . ?
O1 Pb2 N3 111.01(11) . . ?
O4 Pb2 N3 146.62(12) 8_566 . ?
O4 Pb2 N3 79.98(12) 7_666 . ?
O1 Pb2 N3 111.01(11) 2_756 2_756 ?
O1 Pb2 N3 85.93(11) . 2_756 ?
O4 Pb2 N3 79.98(12) 8_566 2_756 ?
O4 Pb2 N3 146.62(12) 7_666 2_756 ?
N3 Pb2 N3 131.96(18) . 2_756 ?
O4 C1 N1 123.4(4) . . ?
O4 C1 N2 119.0(4) . . ?
N1 C1 N2 117.6(4) . . ?
O2 C2 N3 120.7(4) . . ?
O2 C2 N1 117.3(4) . . ?
N3 C2 N1 122.0(4) . . ?
O3 C3 N3 122.0(4) . . ?
O3 C3 N2 118.7(4) . . ?
N3 C3 N2 119.2(4) . . ?
C1 N1 C2 119.8(4) . . ?
C1 N1 Pb1 135.7(3) . 3_445 ?
C2 N1 Pb1 104.5(3) . 3_445 ?
C3 N2 C1 122.4(4) . . ?
C3 N3 C2 118.7(4) . . ?
C3 N3 Pb2 99.8(3) . . ?
C2 N3 Pb2 134.0(3) . . ?
Pb1 O1 Pb1 104.41(13) 5_776 . ?
Pb1 O1 Pb2 116.51(14) 5_776 . ?
Pb1 O1 Pb2 111.77(12) . . ?
C1 O4 Pb2 113.9(3) . 7_666 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.36
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.785
_refine_diff_density_min         -2.104
_refine_diff_density_rms         0.302
