# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_JC1
_database_code_depnum_ccdc_archive 'CCDC 2340872'
loop_
_audit_author_name
_audit_author_address
'Sadhika Khullar'
;Dr B R Ambedkar National Institute of Technology Jalandhar
India
;
_audit_update_record             
;
2024-03-17 deposited with the CCDC.	2024-11-08 downloaded from the CCDC.
;
_audit_creation_date             2024-03-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C23 H20 N3 O6 Pb), 4(H0.50 O0.25)'
_chemical_formula_sum            'C46 H45 N6 O14.50 Pb2'
_chemical_formula_weight         1328.26
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3147(14)
_cell_length_b                   10.3481(15)
_cell_length_c                   12.0696(16)
_cell_angle_alpha                111.089(4)
_cell_angle_beta                 93.623(4)
_cell_angle_gamma                90.726(4)
_cell_volume                     1198.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9619
_cell_measurement_temperature    100.14(10)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.78
_exptl_absorpt_coefficient_mu    7.086
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1385 before and 0.0508 after correction.
The Ratio of minimum to maximum transmission is 0.6317.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             643
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            49792
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.463
_diffrn_reflns_theta_min         2.111
_diffrn_ambient_temperature      100.14(10)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4793
_reflns_number_total             4913
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX2 v2014.11-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.966
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4913
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0172
_refine_ls_R_factor_gt           0.0167
_refine_ls_restrained_S_all      1.255
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+0.7109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0393
_refine_ls_wR_factor_ref         0.0395
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 Pb1-N2 \\sim Pb1-N3 \\sim Pb1-N1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.002
Uanis(C10) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.002
4. Others
 Fixed Sof: O8(0.25) HB(0.25) HC(0.25)
 Fixed U11: O8(0.088482)
 Fixed U12: O8(-0.011377)
 Fixed U13: O8(-0.003705)
 Fixed U22: O8(0.080885)
 Fixed U23: O8(0.009276)
 Fixed U33: O8(0.07433)
5.a Free rotating group:
 O7(H,HA), O8(HB,HC)
5.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C13(H13A,H13B), C14(H14A,H14B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C12(H12),
 C17(H17), C19(H19), C21(H21)
5.d Idealised tetrahedral OH refined as rotating group:
 O6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.34530(2) 0.02163(2) 0.86771(2) 0.03328(4) Uani 1 1 d D . . . .
O1 O 0.52652(18) 0.17963(19) 0.8623(2) 0.0547(5) Uani 1 1 d . . . . .
O2 O 0.34154(18) 0.2664(2) 0.8293(2) 0.0613(6) Uani 1 1 d . . . . .
O3 O 0.54417(18) 0.87323(17) 0.88806(17) 0.0425(4) Uani 1 1 d . . . . .
O4 O 0.35472(18) 0.75602(19) 0.83962(18) 0.0457(4) Uani 1 1 d . . . . .
O5 O 0.9229(3) 0.5638(3) 0.7303(3) 0.0911(8) Uani 1 1 d . U . . .
O6 O 0.9246(2) 0.3687(3) 0.7614(3) 0.0825(8) Uani 1 1 d . . . . .
H6 H 0.999023 0.366037 0.736271 0.124 Uiso 1 1 calc R U . . .
N1 N 0.4271(2) -0.1007(3) 0.6573(2) 0.0547(6) Uani 1 1 d D . . . .
N2 N 0.1631(2) -0.1035(2) 0.6844(2) 0.0444(5) Uani 1 1 d D . . . .
N3 N 0.0813(2) 0.0955(3) 0.8900(2) 0.0593(7) Uani 1 1 d D . . . .
C1 C 0.5513(3) -0.0850(5) 0.6379(3) 0.0741(10) Uani 1 1 d . . . . .
H1 H 0.599523 -0.004282 0.688630 0.089 Uiso 1 1 calc R U . . .
C2 C 0.6124(5) -0.1802(7) 0.5479(4) 0.1084(19) Uani 1 1 d . . . . .
H2 H 0.700126 -0.164398 0.535053 0.130 Uiso 1 1 calc R U . . .
C3 C 0.5441(6) -0.2989(9) 0.4767(4) 0.137(3) Uani 1 1 d . . . . .
H3 H 0.585404 -0.367996 0.415718 0.164 Uiso 1 1 calc R U . . .
C4 C 0.4173(6) -0.3169(6) 0.4938(4) 0.1070(18) Uani 1 1 d . . . . .
H4 H 0.368997 -0.398510 0.445026 0.128 Uiso 1 1 calc R U . . .
C5 C 0.3583(3) -0.2126(4) 0.5851(3) 0.0623(8) Uani 1 1 d . . . . .
C6 C 0.2208(3) -0.2309(3) 0.6087(3) 0.0619(8) Uani 1 1 d . . . . .
H6A H 0.168260 -0.268244 0.531630 0.074 Uiso 1 1 calc R U . . .
H6B H 0.216206 -0.300538 0.647168 0.074 Uiso 1 1 calc R U . . .
C7 C 0.0530(3) -0.1354(4) 0.7425(3) 0.0572(8) Uani 1 1 d . . . . .
H7A H 0.081927 -0.196157 0.785907 0.069 Uiso 1 1 calc R U . . .
H7B H -0.015829 -0.187017 0.680870 0.069 Uiso 1 1 calc R U . . .
C8 C -0.0026(3) -0.0086(4) 0.8277(3) 0.0558(8) Uani 1 1 d . . . . .
C9 C -0.1344(3) 0.0001(5) 0.8428(4) 0.0798(13) Uani 1 1 d . . . . .
H9 H -0.192526 -0.075000 0.797682 0.096 Uiso 1 1 calc R U . . .
C10 C -0.1806(4) 0.1174(7) 0.9231(5) 0.0928(16) Uani 1 1 d . U . . .
H10 H -0.270803 0.124240 0.935132 0.111 Uiso 1 1 calc R U . . .
C11 C -0.0951(5) 0.2251(6) 0.9861(4) 0.0926(16) Uani 1 1 d . . . . .
H11 H -0.124651 0.308236 1.041917 0.111 Uiso 1 1 calc R U . . .
C12 C 0.0348(4) 0.2096(5) 0.9664(3) 0.0797(11) Uani 1 1 d . . . . .
H12 H 0.094189 0.284369 1.009644 0.096 Uiso 1 1 calc R U . . .
C13 C 0.1298(3) -0.0095(3) 0.6195(2) 0.0461(6) Uani 1 1 d . . . . .
H13A H 0.205288 -0.001830 0.575161 0.055 Uiso 1 1 calc R U . . .
H13B H 0.117215 0.083739 0.678913 0.055 Uiso 1 1 calc R U . . .
C14 C 0.0103(3) -0.0507(4) 0.5324(3) 0.0556(7) Uani 1 1 d . . . . .
H14A H -0.067152 -0.053338 0.576087 0.067 Uiso 1 1 calc R U . . .
H14B H 0.020237 -0.144846 0.473362 0.067 Uiso 1 1 calc R U . . .
C15 C 0.4627(2) 0.2722(3) 0.8437(2) 0.0411(5) Uani 1 1 d . . . . .
C16 C 0.5372(2) 0.3946(2) 0.8366(2) 0.0358(5) Uani 1 1 d . . . . .
C17 C 0.4758(2) 0.5182(2) 0.8515(2) 0.0349(5) Uani 1 1 d . . . . .
H17 H 0.386846 0.526134 0.868320 0.042 Uiso 1 1 calc R U . . .
C18 C 0.5438(2) 0.6299(2) 0.8420(2) 0.0342(5) Uani 1 1 d . . . . .
C19 C 0.6720(2) 0.6165(2) 0.8141(2) 0.0394(5) Uani 1 1 d . . . . .
H19 H 0.718279 0.692252 0.806147 0.047 Uiso 1 1 calc R U . . .
C20 C 0.7337(2) 0.4929(3) 0.7975(2) 0.0389(5) Uani 1 1 d . . . . .
C21 C 0.6671(2) 0.3831(2) 0.8112(2) 0.0387(5) Uani 1 1 d . . . . .
H21 H 0.710115 0.299938 0.803162 0.046 Uiso 1 1 calc R U . . .
C22 C 0.8700(3) 0.4795(3) 0.7610(3) 0.0488(6) Uani 1 1 d . . . . .
C23 C 0.4752(2) 0.7627(2) 0.8583(2) 0.0361(5) Uani 1 1 d . . . . .
O7 O 0.1676(3) 0.3761(4) 0.7167(4) 0.0972(10) Uani 1 1 d G . . . .
H H 0.187949 0.458042 0.716880 0.146 Uiso 1 1 d G U . . .
HA H 0.231721 0.347182 0.750971 0.146 Uiso 1 1 d G U . . .
O8 O 0.0965(13) 0.4326(13) 0.5220(10) 0.081 Uani 0.25 1 d G . P . .
HB H 0.146220 0.406588 0.462848 0.122 Uiso 0.25 1 d G U P . .
HC H 0.037437 0.480543 0.501245 0.122 Uiso 0.25 1 d G U P . .


_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 2.4872(18) . ?
Pb1 O2 2.735(2) . ?
Pb1 O3 2.6294(18) 1_545 ?
Pb1 O4 2.6494(18) 1_545 ?
Pb1 N1 2.598(3) . ?
Pb1 N2 2.731(2) . ?
Pb1 N3 2.841(2) . ?
O1 C15 1.247(3) . ?
O2 C15 1.248(3) . ?
O3 C23 1.263(3) . ?
O4 C23 1.245(3) . ?
O5 C22 1.201(4) . ?
O6 H6 0.8400 . ?
O6 C22 1.285(4) . ?
N1 C1 1.335(4) . ?
N1 C5 1.334(4) . ?
N2 C6 1.467(4) . ?
N2 C7 1.466(4) . ?
N2 C13 1.482(3) . ?
N3 C8 1.336(4) . ?
N3 C12 1.327(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.371(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.373(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.358(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.412(6) . ?
C5 C6 1.487(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.493(5) . ?
C8 C9 1.384(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.366(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.377(6) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.518(4) . ?
C14 C14 1.528(6) 2_556 ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.505(3) . ?
C16 C17 1.393(3) . ?
C16 C21 1.389(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(3) . ?
C18 C19 1.382(3) . ?
C18 C23 1.509(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(3) . ?
C20 C21 1.386(3) . ?
C20 C22 1.492(3) . ?
C21 H21 0.9500 . ?
O7 H 0.8698 . ?
O7 HA 0.8709 . ?
O8 HB 0.8702 . ?
O8 HC 0.8702 . ?

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 O2 49.39(6) . . ?
O1 Pb1 O3 80.31(6) . 1_545 ?
O1 Pb1 O4 127.94(6) . 1_545 ?
O1 Pb1 N1 76.99(8) . . ?
O1 Pb1 N2 124.95(7) . . ?
O1 Pb1 N3 124.52(8) . . ?
O2 Pb1 N3 76.55(8) . . ?
O3 Pb1 O2 129.45(6) 1_545 . ?
O3 Pb1 O4 49.67(5) 1_545 1_545 ?
O3 Pb1 N2 116.53(6) 1_545 . ?
O3 Pb1 N3 153.38(7) 1_545 . ?
O4 Pb1 O2 163.89(8) 1_545 . ?
O4 Pb1 N2 76.50(6) 1_545 . ?
O4 Pb1 N3 107.41(7) 1_545 . ?
N1 Pb1 O2 89.73(8) . . ?
N1 Pb1 O3 71.88(7) . 1_545 ?
N1 Pb1 O4 74.67(7) . 1_545 ?
N1 Pb1 N2 62.45(8) . . ?
N1 Pb1 N3 119.48(8) . . ?
N2 Pb1 O2 92.91(7) . . ?
N2 Pb1 N3 59.88(8) . . ?
C15 O1 Pb1 99.64(15) . . ?
C15 O2 Pb1 87.84(15) . . ?
C23 O3 Pb1 93.17(14) . 1_565 ?
C23 O4 Pb1 92.65(14) . 1_565 ?
C22 O6 H6 109.5 . . ?
C1 N1 Pb1 120.3(2) . . ?
C5 N1 Pb1 116.7(2) . . ?
C5 N1 C1 118.9(3) . . ?
C6 N2 Pb1 105.74(16) . . ?
C6 N2 C13 112.3(2) . . ?
C7 N2 Pb1 104.04(16) . . ?
C7 N2 C6 110.9(3) . . ?
C7 N2 C13 113.0(2) . . ?
C13 N2 Pb1 110.31(15) . . ?
C8 N3 Pb1 113.2(2) . . ?
C12 N3 Pb1 127.6(2) . . ?
C12 N3 C8 118.3(3) . . ?
N1 C1 H1 118.6 . . ?
N1 C1 C2 122.9(5) . . ?
C2 C1 H1 118.6 . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.7(5) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.6(5) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.1(5) . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 120.8(4) . . ?
N1 C5 C6 118.6(3) . . ?
C4 C5 C6 120.5(4) . . ?
N2 C6 C5 114.3(3) . . ?
N2 C6 H6A 108.7 . . ?
N2 C6 H6B 108.7 . . ?
C5 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
N2 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
N2 C7 C8 112.7(2) . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
N3 C8 C7 116.9(2) . . ?
N3 C8 C9 121.4(4) . . ?
C9 C8 C7 121.7(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 120.5 . . ?
C9 C10 C11 119.1(4) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 120.9 . . ?
C10 C11 C12 118.3(5) . . ?
C12 C11 H11 120.9 . . ?
N3 C12 C11 123.3(5) . . ?
N3 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
N2 C13 H13A 108.1 . . ?
N2 C13 H13B 108.1 . . ?
N2 C13 C14 116.6(2) . . ?
H13A C13 H13B 107.3 . . ?
C14 C13 H13A 108.1 . . ?
C14 C13 H13B 108.1 . . ?
C13 C14 C14 111.6(3) . 2_556 ?
C13 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
C14 C14 H14A 109.3 2_556 . ?
C14 C14 H14B 109.3 2_556 . ?
H14A C14 H14B 108.0 . . ?
O1 C15 O2 123.1(2) . . ?
O1 C15 C16 117.5(2) . . ?
O2 C15 C16 119.4(2) . . ?
C17 C16 C15 120.4(2) . . ?
C21 C16 C15 119.9(2) . . ?
C21 C16 C17 119.7(2) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.3(2) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C23 119.4(2) . . ?
C19 C18 C17 119.6(2) . . ?
C19 C18 C23 120.9(2) . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.5(2) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C22 119.1(2) . . ?
C21 C20 C19 119.8(2) . . ?
C21 C20 C22 121.1(2) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.0(2) . . ?
C20 C21 H21 120.0 . . ?
O5 C22 O6 122.7(3) . . ?
O5 C22 C20 122.5(3) . . ?
O6 C22 C20 114.8(2) . . ?
O3 C23 C18 117.7(2) . . ?
O4 C23 O3 124.3(2) . . ?
O4 C23 C18 118.0(2) . . ?
H O7 HA 109.4 . . ?
HB O8 HC 104.4 . . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pb1 O1 C15 O2 -2.4(3) . . . . ?
Pb1 O1 C15 C16 178.6(2) . . . . ?
Pb1 O2 C15 O1 2.2(3) . . . . ?
Pb1 O2 C15 C16 -178.9(2) . . . . ?
Pb1 O3 C23 O4 -4.7(3) 1_565 . . . ?
Pb1 O3 C23 C18 174.09(18) 1_565 . . . ?
Pb1 O4 C23 O3 4.7(3) 1_565 . . . ?
Pb1 O4 C23 C18 -174.13(18) 1_565 . . . ?
Pb1 N1 C1 C2 155.3(4) . . . . ?
Pb1 N1 C5 C4 -153.6(3) . . . . ?
Pb1 N1 C5 C6 21.5(4) . . . . ?
Pb1 N2 C6 C5 -44.9(3) . . . . ?
Pb1 N2 C7 C8 62.4(2) . . . . ?
Pb1 N2 C13 C14 -167.4(2) . . . . ?
Pb1 N3 C8 C7 -9.9(3) . . . . ?
Pb1 N3 C8 C9 169.1(2) . . . . ?
Pb1 N3 C12 C11 -167.3(3) . . . . ?
O1 C15 C16 C17 -160.8(3) . . . . ?
O1 C15 C16 C21 21.2(4) . . . . ?
O2 C15 C16 C17 20.2(4) . . . . ?
O2 C15 C16 C21 -157.8(3) . . . . ?
N1 C1 C2 C3 -1.9(8) . . . . ?
N1 C5 C6 N2 19.0(4) . . . . ?
N2 C7 C8 N3 -36.3(3) . . . . ?
N2 C7 C8 C9 144.7(3) . . . . ?
N2 C13 C14 C14 -177.6(3) . . . 2_556 ?
N3 C8 C9 C10 0.0(5) . . . . ?
C1 N1 C5 C4 3.6(5) . . . . ?
C1 N1 C5 C6 178.8(3) . . . . ?
C1 C2 C3 C4 2.5(10) . . . . ?
C2 C3 C4 C5 -0.1(10) . . . . ?
C3 C4 C5 N1 -3.1(7) . . . . ?
C3 C4 C5 C6 -178.1(5) . . . . ?
C4 C5 C6 N2 -165.9(4) . . . . ?
C5 N1 C1 C2 -1.1(6) . . . . ?
C6 N2 C7 C8 175.7(2) . . . . ?
C6 N2 C13 C14 74.9(3) . . . . ?
C7 N2 C6 C5 -157.1(2) . . . . ?
C7 N2 C13 C14 -51.4(4) . . . . ?
C7 C8 C9 C10 179.0(3) . . . . ?
C8 N3 C12 C11 1.2(6) . . . . ?
C8 C9 C10 C11 0.8(5) . . . . ?
C9 C10 C11 C12 -0.7(6) . . . . ?
C10 C11 C12 N3 -0.4(6) . . . . ?
C12 N3 C8 C7 180.0(3) . . . . ?
C12 N3 C8 C9 -1.0(5) . . . . ?
C13 N2 C6 C5 75.5(3) . . . . ?
C13 N2 C7 C8 -57.2(3) . . . . ?
C15 C16 C17 C18 -178.4(2) . . . . ?
C15 C16 C21 C20 176.1(2) . . . . ?
C16 C17 C18 C19 1.9(4) . . . . ?
C16 C17 C18 C23 179.8(2) . . . . ?
C17 C16 C21 C20 -1.8(4) . . . . ?
C17 C18 C19 C20 -1.1(4) . . . . ?
C17 C18 C23 O3 157.2(2) . . . . ?
C17 C18 C23 O4 -23.9(3) . . . . ?
C18 C19 C20 C21 -1.2(4) . . . . ?
C18 C19 C20 C22 176.7(2) . . . . ?
C19 C18 C23 O3 -24.9(3) . . . . ?
C19 C18 C23 O4 154.0(2) . . . . ?
C19 C20 C21 C16 2.6(4) . . . . ?
C19 C20 C22 O5 -10.0(5) . . . . ?
C19 C20 C22 O6 172.2(3) . . . . ?
C21 C16 C17 C18 -0.5(4) . . . . ?
C21 C20 C22 O5 167.9(3) . . . . ?
C21 C20 C22 O6 -9.9(4) . . . . ?
C22 C20 C21 C16 -175.2(2) . . . . ?
C23 C18 C19 C20 -179.0(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT420_JC1                 
;
PROBLEM: D-H Bond Without Acceptor  O7       --H        .     Please Check 
RESPONSE: There are no suitable acceptors around this H atom.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_JC2
_database_code_depnum_ccdc_archive 'CCDC 2340873'
loop_
_audit_author_name
_audit_author_address
'Sadhika Khullar'
;Dr B R Ambedkar National Institute of Technology Jalandhar
India
;
_audit_update_record             
;
2024-03-17 deposited with the CCDC.	2024-11-08 downloaded from the CCDC.
;
_audit_creation_date             2024-03-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H22 N3 O4 Pb'
_chemical_formula_sum            'C26 H22 N3 O4 Pb'
_chemical_formula_weight         647.65
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9986(6)
_cell_length_b                   11.4619(8)
_cell_length_c                   12.1271(8)
_cell_angle_alpha                67.818(2)
_cell_angle_beta                 88.463(2)
_cell_angle_gamma                75.020(2)
_cell_volume                     1115.36(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    100.14(10)
_cell_measurement_theta_max      25.070
_cell_measurement_theta_min      2.350
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.603
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.2601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1414 before and 0.0668 after correction.
The Ratio of minimum to maximum transmission is 0.3490.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             626
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            33807
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.080
_diffrn_reflns_theta_max         25.080
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      100.14(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3895
_reflns_number_total             3945
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX2 v2014.11-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.070
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3945
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0182
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0238P)²+0.8647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0455
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C21(H21A,H21B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C17(H17), C18(H18),
 C19(H19), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.49821(2) 0.68162(2) 0.37909(2) 0.02338(6) Uani 1 1 d . . . . .
O1 O 0.5683(3) 0.5536(2) 0.60930(18) 0.0367(5) Uani 1 1 d . . . . .
O2 O 0.4016(3) 0.7482(2) 0.57070(19) 0.0463(6) Uani 1 1 d . . . . .
O3 O 0.6352(3) 0.7044(2) 0.1901(2) 0.0455(6) Uani 1 1 d . . . . .
O4 O 0.7501(2) 0.5303(2) 0.34868(19) 0.0369(5) Uani 1 1 d . . . . .
N1 N 0.7154(3) 0.7712(2) 0.4178(2) 0.0282(5) Uani 1 1 d . . . . .
N2 N 0.4448(2) 0.9510(2) 0.27260(18) 0.0215(4) Uani 1 1 d . . . . .
N3 N 0.2109(3) 0.8350(3) 0.2432(2) 0.0346(6) Uani 1 1 d . . . . .
C1 C 0.4779(4) 0.6386(3) 0.6415(3) 0.0330(6) Uani 1 1 d . . . . .
C2 C 0.4659(3) 0.6029(3) 0.7744(2) 0.0305(6) Uani 1 1 d . . . . .
C3 C 0.3561(4) 0.6861(3) 0.8160(3) 0.0373(7) Uani 1 1 d . . . . .
H3 H 0.288123 0.763278 0.760506 0.045 Uiso 1 1 calc R U . . .
C4 C 0.3472(4) 0.6563(3) 0.9362(3) 0.0382(7) Uani 1 1 d . . . . .
H4 H 0.273360 0.713685 0.962879 0.046 Uiso 1 1 calc R U . . .
C5 C 0.5610(4) 0.4916(3) 0.8544(3) 0.0320(6) Uani 1 1 d . . . . .
H5 H 0.633463 0.435080 0.825918 0.038 Uiso 1 1 calc R U . . .
C6 C 0.5548(3) 0.4577(3) 0.9794(3) 0.0296(6) Uani 1 1 d . . . . .
C7 C 0.9303(4) 0.5465(3) -0.0286(3) 0.0350(6) Uani 1 1 d . . . . .
C8 C 0.8242(4) 0.5953(3) 0.0441(3) 0.0390(7) Uani 1 1 d . . . . .
H8 H 0.730010 0.658839 0.007694 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8551(4) 0.5532(3) 0.1624(3) 0.0363(7) Uani 1 1 d . . . . .
C10 C 0.9984(4) 0.4606(4) 0.2180(3) 0.0445(8) Uani 1 1 d . . . . .
H10 H 1.020404 0.431526 0.301708 0.053 Uiso 1 1 calc R U . . .
C11 C 1.1037(4) 0.4139(4) 0.1515(3) 0.0438(8) Uani 1 1 d . . . . .
H11 H 1.200069 0.354509 0.188565 0.053 Uiso 1 1 calc R U . . .
C12 C 0.7389(3) 0.5993(3) 0.2396(3) 0.0327(6) Uani 1 1 d . . . . .
C13 C 0.4474(3) 0.9873(3) 0.0516(2) 0.0263(6) Uani 1 1 d . . . . .
H13A H 0.345627 1.052562 0.025938 0.032 Uiso 1 1 calc R U . . .
H13B H 0.431181 0.899263 0.073922 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5203(3) 0.9963(3) 0.1591(2) 0.0265(6) Uani 1 1 d . . . . .
H14A H 0.629465 0.944095 0.172927 0.032 Uiso 1 1 calc R U . . .
H14B H 0.519792 1.088526 0.139098 0.032 Uiso 1 1 calc R U . . .
C15 C 0.2801(3) 1.0202(3) 0.2599(3) 0.0310(6) Uani 1 1 d . . . . .
H15A H 0.266226 1.112003 0.204037 0.037 Uiso 1 1 calc R U . . .
H15B H 0.249590 1.021612 0.338537 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1718(3) 0.9635(3) 0.2157(2) 0.0282(6) Uani 1 1 d . . . . .
C17 C 0.0301(3) 1.0441(3) 0.1574(3) 0.0384(7) Uani 1 1 d . . . . .
H17 H 0.005389 1.135612 0.138271 0.046 Uiso 1 1 calc R U . . .
C18 C -0.0744(4) 0.9894(4) 0.1276(3) 0.0466(8) Uani 1 1 d . . . . .
H18 H -0.172161 1.042745 0.087854 0.056 Uiso 1 1 calc R U . . .
C19 C -0.0352(4) 0.8568(4) 0.1560(3) 0.0448(8) Uani 1 1 d . . . . .
H19 H -0.105329 0.816632 0.136858 0.054 Uiso 1 1 calc R U . . .
C20 C 0.1078(4) 0.7837(3) 0.2129(3) 0.0411(7) Uani 1 1 d . . . . .
H20 H 0.135195 0.692094 0.231852 0.049 Uiso 1 1 calc R U . . .
C21 C 0.5201(3) 0.9788(3) 0.3630(2) 0.0253(6) Uani 1 1 d . . . . .
H21A H 0.460195 0.962531 0.434404 0.030 Uiso 1 1 calc R U . . .
H21B H 0.518306 1.072508 0.330439 0.030 Uiso 1 1 calc R U . . .
C22 C 0.6858(3) 0.8969(3) 0.4006(2) 0.0244(5) Uani 1 1 d . . . . .
C23 C 0.7976(3) 0.9503(3) 0.4235(3) 0.0331(6) Uani 1 1 d . . . . .
H23 H 0.773597 1.040093 0.411705 0.040 Uiso 1 1 calc R U . . .
C24 C 0.9456(4) 0.8688(4) 0.4643(3) 0.0402(7) Uani 1 1 d . . . . .
H24 H 1.024787 0.902759 0.480157 0.048 Uiso 1 1 calc R U . . .
C25 C 0.9765(4) 0.7403(3) 0.4813(3) 0.0406(7) Uani 1 1 d . . . . .
H25 H 1.076979 0.683324 0.508869 0.049 Uiso 1 1 calc R U . . .
C26 C 0.8585(4) 0.6948(3) 0.4577(3) 0.0374(7) Uani 1 1 d . . . . .
H26 H 0.879757 0.604867 0.470225 0.045 Uiso 1 1 calc R U . . .


_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 2.621(2) . ?
Pb1 O3 2.531(2) . ?
Pb1 O4 2.586(2) . ?
Pb1 N1 2.558(2) . ?
Pb1 N2 2.773(2) . ?
Pb1 N3 2.861(3) . ?
O1 C1 1.274(4) . ?
O2 C1 1.249(4) . ?
O3 C12 1.259(4) . ?
O4 C12 1.250(4) . ?
N1 C22 1.329(4) . ?
N1 C26 1.338(4) . ?
N2 C14 1.489(3) . ?
N2 C15 1.471(3) . ?
N2 C21 1.476(3) . ?
N3 C16 1.331(4) . ?
N3 C20 1.343(4) . ?
C1 C2 1.514(4) . ?
C2 C3 1.411(4) . ?
C2 C5 1.359(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.370(4) . ?
C4 H4 0.9500 . ?
C4 C6 1.405(4) 2_667 ?
C5 H5 0.9500 . ?
C5 C6 1.419(4) . ?
C6 C6 1.417(6) 2_667 ?
C7 C7 1.411(6) 2_765 ?
C7 C8 1.432(5) . ?
C7 C11 1.402(5) 2_765 ?
C8 H8 0.9500 . ?
C8 C9 1.341(5) . ?
C9 C10 1.429(5) . ?
C9 C12 1.512(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.362(5) . ?
C11 H11 0.9500 . ?
C13 C13 1.533(5) 2_675 ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.525(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.509(4) . ?
C16 C17 1.388(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.379(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.374(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.374(5) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.517(4) . ?
C22 C23 1.388(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.361(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.377(5) . ?
C26 H26 0.9500 . ?

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 N2 121.92(6) . . ?
O1 Pb1 N3 131.84(7) . . ?
O3 Pb1 O1 136.75(8) . . ?
O3 Pb1 O4 51.20(7) . . ?
O3 Pb1 N1 80.09(8) . . ?
O3 Pb1 N2 79.21(7) . . ?
O3 Pb1 N3 91.14(8) . . ?
O4 Pb1 O1 87.11(7) . . ?
O4 Pb1 N2 120.14(7) . . ?
O4 Pb1 N3 136.34(7) . . ?
N1 Pb1 O1 77.60(7) . . ?
N1 Pb1 O4 74.57(7) . . ?
N1 Pb1 N2 64.71(7) . . ?
N1 Pb1 N3 125.66(7) . . ?
N2 Pb1 N3 60.97(7) . . ?
C1 O1 Pb1 96.38(18) . . ?
C12 O3 Pb1 93.64(18) . . ?
C12 O4 Pb1 91.29(17) . . ?
C22 N1 Pb1 119.55(18) . . ?
C22 N1 C26 118.4(2) . . ?
C26 N1 Pb1 122.1(2) . . ?
C14 N2 Pb1 113.83(16) . . ?
C15 N2 Pb1 112.57(16) . . ?
C15 N2 C14 112.4(2) . . ?
C15 N2 C21 107.2(2) . . ?
C21 N2 Pb1 101.69(15) . . ?
C21 N2 C14 108.4(2) . . ?
C16 N3 Pb1 118.26(18) . . ?
C16 N3 C20 117.9(3) . . ?
C20 N3 Pb1 123.7(2) . . ?
O1 C1 C2 116.9(3) . . ?
O2 C1 O1 124.1(3) . . ?
O2 C1 C2 119.0(3) . . ?
C3 C2 C1 120.0(3) . . ?
C5 C2 C1 120.5(3) . . ?
C5 C2 C3 119.5(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C6 121.2(3) . 2_667 ?
C6 C4 H4 119.4 2_667 . ?
C2 C5 H5 119.2 . . ?
C2 C5 C6 121.6(3) . . ?
C6 C5 H5 119.2 . . ?
C4 C6 C5 122.7(3) 2_667 . ?
C4 C6 C6 118.8(3) 2_667 2_667 ?
C6 C6 C5 118.5(3) 2_667 . ?
C7 C7 C8 117.6(4) 2_765 . ?
C11 C7 C7 120.6(4) 2_765 2_765 ?
C11 C7 C8 121.8(3) 2_765 . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 C10 120.0(3) . . ?
C8 C9 C12 121.1(3) . . ?
C10 C9 C12 118.9(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(3) . . ?
C11 C10 H10 119.8 . . ?
C7 C11 H11 120.0 2_765 . ?
C10 C11 C7 120.0(3) . 2_765 ?
C10 C11 H11 120.0 . . ?
O3 C12 C9 118.1(3) . . ?
O4 C12 O3 123.7(3) . . ?
O4 C12 C9 118.2(3) . . ?
C13 C13 H13A 109.7 2_675 . ?
C13 C13 H13B 109.7 2_675 . ?
H13A C13 H13B 108.2 . . ?
C14 C13 C13 110.0(3) . 2_675 ?
C14 C13 H13A 109.7 . . ?
C14 C13 H13B 109.7 . . ?
N2 C14 C13 115.8(2) . . ?
N2 C14 H14A 108.3 . . ?
N2 C14 H14B 108.3 . . ?
C13 C14 H14A 108.3 . . ?
C13 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
N2 C15 H15A 108.3 . . ?
N2 C15 H15B 108.3 . . ?
N2 C15 C16 115.7(2) . . ?
H15A C15 H15B 107.4 . . ?
C16 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
N3 C16 C15 118.3(3) . . ?
N3 C16 C17 122.1(3) . . ?
C17 C16 C15 119.4(3) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 C16 119.1(3) . . ?
C18 C17 H17 120.5 . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 120.8 . . ?
C18 C19 C20 118.4(3) . . ?
C20 C19 H19 120.8 . . ?
N3 C20 C19 123.4(3) . . ?
N3 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
N2 C21 H21A 108.9 . . ?
N2 C21 H21B 108.9 . . ?
N2 C21 C22 113.3(2) . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
N1 C22 C21 117.0(2) . . ?
N1 C22 C23 122.2(3) . . ?
C23 C22 C21 120.6(3) . . ?
C22 C23 H23 120.9 . . ?
C22 C23 C24 118.3(3) . . ?
C24 C23 H23 120.9 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(3) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 120.8 . . ?
C24 C25 C26 118.5(3) . . ?
C26 C25 H25 120.8 . . ?
N1 C26 C25 123.1(3) . . ?
N1 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pb1 O1 C1 O2 -6.0(3) . . . . ?
Pb1 O1 C1 C2 174.8(2) . . . . ?
Pb1 O3 C12 O4 -4.2(3) . . . . ?
Pb1 O3 C12 C9 175.0(2) . . . . ?
Pb1 O4 C12 O3 4.1(3) . . . . ?
Pb1 O4 C12 C9 -175.1(2) . . . . ?
Pb1 N1 C22 C21 2.4(3) . . . . ?
Pb1 N1 C22 C23 178.0(2) . . . . ?
Pb1 N1 C26 C25 -178.7(2) . . . . ?
Pb1 N2 C14 C13 73.2(3) . . . . ?
Pb1 N2 C15 C16 -43.9(3) . . . . ?
Pb1 N2 C21 C22 52.5(2) . . . . ?
Pb1 N3 C16 C15 -1.1(3) . . . . ?
Pb1 N3 C16 C17 -175.4(2) . . . . ?
Pb1 N3 C20 C19 174.6(3) . . . . ?
O1 C1 C2 C3 -173.3(3) . . . . ?
O1 C1 C2 C5 7.3(4) . . . . ?
O2 C1 C2 C3 7.5(4) . . . . ?
O2 C1 C2 C5 -171.9(3) . . . . ?
N1 C22 C23 C24 0.9(4) . . . . ?
N2 C15 C16 N3 30.7(4) . . . . ?
N2 C15 C16 C17 -154.8(3) . . . . ?
N2 C21 C22 N1 -42.1(3) . . . . ?
N2 C21 C22 C23 142.3(3) . . . . ?
N3 C16 C17 C18 0.5(5) . . . . ?
C1 C2 C3 C4 -178.3(3) . . . . ?
C1 C2 C5 C6 178.3(3) . . . . ?
C2 C3 C4 C6 -0.6(5) . . . 2_667 ?
C2 C5 C6 C4 -179.5(3) . . . 2_667 ?
C2 C5 C6 C6 0.5(5) . . . 2_667 ?
C3 C2 C5 C6 -1.1(4) . . . . ?
C5 C2 C3 C4 1.1(5) . . . . ?
C7 C7 C8 C9 -0.8(6) 2_765 . . . ?
C7 C8 C9 C10 1.9(5) . . . . ?
C7 C8 C9 C12 -176.5(3) . . . . ?
C8 C9 C10 C11 -0.6(5) . . . . ?
C8 C9 C12 O3 -21.1(5) . . . . ?
C8 C9 C12 O4 158.2(3) . . . . ?
C9 C10 C11 C7 -2.0(6) . . . 2_765 ?
C10 C9 C12 O3 160.5(3) . . . . ?
C10 C9 C12 O4 -20.3(4) . . . . ?
C11 C7 C8 C9 177.4(3) 2_765 . . . ?
C12 C9 C10 C11 177.9(3) . . . . ?
C13 C13 C14 N2 -169.7(3) 2_675 . . . ?
C14 N2 C15 C16 86.2(3) . . . . ?
C14 N2 C21 C22 -67.7(3) . . . . ?
C15 N2 C14 C13 -56.2(3) . . . . ?
C15 N2 C21 C22 170.8(2) . . . . ?
C15 C16 C17 C18 -173.7(3) . . . . ?
C16 N3 C20 C19 -0.4(5) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C17 C18 C19 C20 -0.3(5) . . . . ?
C18 C19 C20 N3 0.6(5) . . . . ?
C20 N3 C16 C15 174.1(3) . . . . ?
C20 N3 C16 C17 -0.2(4) . . . . ?
C21 N2 C14 C13 -174.4(2) . . . . ?
C21 N2 C15 C16 -154.9(2) . . . . ?
C21 C22 C23 C24 176.3(3) . . . . ?
C22 N1 C26 C25 -0.2(5) . . . . ?
C22 C23 C24 C25 -0.5(5) . . . . ?
C23 C24 C25 C26 -0.2(5) . . . . ?
C24 C25 C26 N1 0.6(5) . . . . ?
C26 N1 C22 C21 -176.2(3) . . . . ?
C26 N1 C22 C23 -0.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
