# Electronic Supplementary Material (ESI) for RSC Sustainability.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_ac
_database_code_depnum_ccdc_archive 'CCDC 2092021'
loop_
_audit_author_name
_audit_author_address
'Dr. Hong Su'
;University of Cape Town
South Africa
;
_audit_update_record             
;
2021-06-24 deposited with the CCDC.	2023-07-17 downloaded from the CCDC.
;
_audit_creation_date             2021-06-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_systematic        CHNPDCLB
_chemical_formula_moiety         
'0.04(C43 Cl N3 P2 Pd), 0.04(C Cl2), 0.04(B C24)'
_chemical_formula_sum            'B0.042 C2.833 Cl0.125 N0.125 P0.083 Pd0.042'
_chemical_formula_weight         47.68
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
B 0.00141 0.00067 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.193200007081
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pd -0.98845 1.01473 19.33190 15.50170 5.29537 0.60584 0.69866 7.98929 25.20520
76.89860 5.26593017578
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   12.9953(5)
_cell_length_b                   16.9291(8)
_cell_length_c                   27.3479(12)
_cell_angle_alpha                90
_cell_angle_beta                 103.019(1)
_cell_angle_gamma                90
_cell_volume                     5861.9(4)
_cell_formula_units_Z            96
_cell_measurement_temperature    100
_cell_measurement_theta_min      7.112
_cell_measurement_theta_max      23.667
_cell_measurement_reflns_used    4700
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.2965
_exptl_crystal_description       needle
_exptl_crystal_F_000             2243.4197
_exptl_crystal_preparation       'Solv evap'
_exptl_crystal_recrystallization_method 'Solv evap'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            152571
_diffrn_reflns_theta_full        26.4206
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         2.01
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.9968
_diffrn_measured_fraction_theta_max 0.9968
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              15
_reflns_limit_h_min              -16
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              34
_reflns_limit_l_min              0
_reflns_number_gt                10216
_reflns_number_total             12018
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.7183
_refine_diff_density_min         -2.9015
_refine_diff_density_rms         0.1632
_refine_ls_d_res_high            0.7986
_refine_ls_d_res_low             10.1392
_refine_ls_goodness_of_fit_ref   1.8200
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     702
_refine_ls_number_reflns         12018
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0702
_refine_ls_restrained_S_all      1.8200
_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2216
_refine_ls_wR_factor_ref         0.2327
_olex2_refinement_description    
;
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
Pd00 Pd 0.20005(3) 0.726945(19) 0.350142(12) 0.02113(15) Uani 1.000000 .
P002 P 0.39047(9) 0.61113(7) 0.40368(4) 0.0212(3) Uani 1.000000 .
Cl00 Cl 0.20329(11) 0.73616(8) 0.43431(4) 0.0348(3) Uani 1.000000 .
P004 P 0.02304(9) 0.85876(7) 0.35502(4) 0.0240(3) Uani 1.000000 .
Cl1 Cl 0.0627(2) 0.8666(2) 0.56024(10) 0.1146(10) Uani 1.000000 .
Cl2 Cl 0.0955(2) 0.6883(3) 0.56014(14) 0.174(2) Uani 1.000000 .
N007 N 0.0723(3) 0.7970(2) 0.32239(14) 0.0254(8) Uani 1.000000 .
N008 N 0.3266(3) 0.6536(2) 0.35384(14) 0.0228(8) Uani 1.000000 .
N009 N 0.2014(3) 0.7240(2) 0.27936(14) 0.0205(8) Uani 1.000000 .
C00A C 0.0289(4) 0.7822(3) 0.26838(19) 0.0299(11) Uani 1.000000 .
C00B C 0.1177(3) 0.7515(3) 0.24586(17) 0.0223(9) Uani 1.000000 .
C00C C 0.2883(3) 0.6950(3) 0.26675(16) 0.0208(9) Uani 1.000000 .
C00D C 0.2967(3) 0.5633(3) 0.43378(17) 0.0245(9) Uani 1.000000 .
C00E C 0.4759(3) 0.6754(3) 0.44773(17) 0.0254(10) Uani 1.000000 .
C00F C 0.3734(3) 0.6662(3) 0.30959(16) 0.0242(9) Uani 1.000000 .
C00G C 0.4765(4) 0.5353(3) 0.38859(17) 0.0253(10) Uani 1.000000 .
C00H C 0.7364(4) 0.5826(3) 0.24924(19) 0.0288(10) Uani 1.000000 .
C00I C 0.7361(4) 0.7004(3) 0.18574(18) 0.0270(10) Uani 1.000000 .
C00J C 0.3129(4) 0.5591(3) 0.48527(19) 0.0346(11) Uani 1.000000 .
C00K C -0.1693(4) 0.9053(3) 0.2957(2) 0.0322(11) Uani 1.000000 .
C00L C 0.5571(4) 0.6192(3) 0.17844(19) 0.0290(10) Uani 1.000000 .
C00M C 0.6559(4) 0.7181(3) 0.3083(2) 0.0320(11) Uani 1.000000 .
C00N C 0.4511(4) 0.4550(3) 0.3905(2) 0.0328(11) Uani 1.000000 .
C00O C -0.0631(4) 0.9254(3) 0.31389(18) 0.0275(10) Uani 1.000000 .
C00P C 0.7181(4) 0.5016(3) 0.24099(19) 0.0308(11) Uani 1.000000 .
C00Q C 0.6204(4) 0.7765(3) 0.3381(2) 0.0364(12) Uani 1.000000 .
C00R C 0.4651(4) 0.7573(3) 0.4409(2) 0.0327(11) Uani 1.000000 .
C00S C -0.0560(4) 0.8129(3) 0.39396(18) 0.0303(10) Uani 1.000000 .
C00T C 0.1295(4) 0.9142(3) 0.3939(2) 0.0329(11) Uani 1.000000 .
C00U C 0.6168(4) 0.6954(4) 0.5209(2) 0.0425(14) Uani 1.000000 .
C00V C 0.6213(4) 0.7164(3) 0.2563(2) 0.0316(11) Uani 1.000000 .
C00W C 0.5673(4) 0.5579(3) 0.37345(18) 0.0301(10) Uani 1.000000 .
C00X C 0.5478(5) 0.8335(3) 0.3158(2) 0.0406(13) Uani 1.000000 .
C00Y C 0.5524(4) 0.6448(3) 0.48719(19) 0.0334(11) Uani 1.000000 .
C00Z C 0.2070(4) 0.5293(3) 0.40303(19) 0.0323(11) Uani 1.000000 .
C010 C 0.8293(4) 0.6022(3) 0.2851(2) 0.0339(11) Uani 1.000000 .
C011 C -0.2334(4) 0.9511(3) 0.2588(2) 0.0375(12) Uani 1.000000 .
C012 C 0.8059(4) 0.8186(4) 0.1526(2) 0.0400(13) Uani 1.000000 .
C013 C 0.7490(4) 0.7816(3) 0.1836(2) 0.0351(12) Uani 1.000000 .
C014 C -0.0576(4) 0.7316(3) 0.3965(2) 0.0360(12) Uani 1.000000 .
C015 C -0.1909(5) 1.0162(3) 0.2399(2) 0.0409(14) Uani 1.000000 .
C016 C 0.5466(5) 0.7744(3) 0.2350(2) 0.0377(13) Uani 1.000000 .
C017 C 0.8533(4) 0.7730(4) 0.1215(2) 0.0417(14) Uani 1.000000 .
C018 C 0.7829(4) 0.4432(3) 0.2679(2) 0.0368(12) Uani 1.000000 .
C019 C 0.2936(4) 0.6937(3) 0.21575(17) 0.0296(10) Uani 1.000000 .
C01A C 0.5178(5) 0.3983(3) 0.3779(2) 0.0422(13) Uani 1.000000 .
C01B C 0.1163(4) 0.7498(3) 0.19544(18) 0.0285(10) Uani 1.000000 .
C01C C 0.8741(4) 0.4659(3) 0.3045(2) 0.0397(13) Uani 1.000000 .
C01D C 0.5100(5) 0.8330(3) 0.2633(2) 0.0435(14) Uani 1.000000 .
C01E C 0.4881(4) 0.5649(3) 0.1944(2) 0.0366(12) Uani 1.000000 .
C01F C 0.1335(4) 0.4902(3) 0.4247(2) 0.0352(12) Uani 1.000000 .
C01G C 0.8955(4) 0.5453(3) 0.3126(2) 0.0392(13) Uani 1.000000 .
C01H C 0.6048(5) 0.7771(4) 0.5147(2) 0.0446(15) Uani 1.000000 .
C01I C 0.2062(4) 0.7205(3) 0.18056(19) 0.0345(12) Uani 1.000000 .
C01J C 0.7893(4) 0.6563(4) 0.1557(2) 0.0394(13) Uani 1.000000 .
C01K C 0.5306(4) 0.8079(4) 0.4751(2) 0.0435(14) Uani 1.000000 .
C01L C 0.8449(4) 0.6918(4) 0.1231(2) 0.0453(14) Uani 1.000000 .
C01M C 0.6085(4) 0.4208(3) 0.3615(2) 0.0391(13) Uani 1.000000 .
B01N B 0.6621(4) 0.6536(3) 0.2179(2) 0.0285(11) Uani 1.000000 .
C01O C 0.2197(4) 0.9271(3) 0.3753(2) 0.0412(13) Uani 1.000000 .
C01P C -0.1163(4) 0.8585(4) 0.4206(2) 0.0407(13) Uani 1.000000 .
C01Q C 0.5273(4) 0.6455(4) 0.1295(2) 0.0412(13) Uani 1.000000 .
C01R C -0.0847(5) 1.0378(3) 0.2587(2) 0.0470(15) Uani 1.000000 .
C01S C 0.2393(5) 0.5187(4) 0.5066(2) 0.0443(14) Uani 1.000000 .
C01T C -0.0209(4) 0.9918(3) 0.2951(2) 0.0401(13) Uani 1.000000 .
C01U C 0.1497(4) 0.4847(4) 0.4763(2) 0.0419(13) Uani 1.000000 .
C01V C -0.1735(5) 0.8202(5) 0.4505(2) 0.0561(17) Uani 1.000000 .
C01W C -0.1733(5) 0.7377(4) 0.4543(3) 0.0539(17) Uani 1.000000 .
C01X C 0.6324(4) 0.5009(3) 0.3592(2) 0.0351(12) Uani 1.000000 .
C01Y C 0.3058(5) 0.9686(4) 0.4048(3) 0.0567(18) Uani 1.000000 .
C01Z C 0.3958(4) 0.5368(3) 0.1618(3) 0.0439(14) Uani 1.000000 .
C020 C -0.1171(5) 0.6932(4) 0.4265(2) 0.0502(15) Uani 1.000000 .
C021 C 0.1228(5) 0.9412(4) 0.4415(2) 0.0493(15) Uani 1.000000 .
C022 C 0.3705(5) 0.5639(4) 0.1127(3) 0.0568(17) Uani 1.000000 .
C023 C 0.4344(5) 0.6182(4) 0.0954(3) 0.0570(17) Uani 1.000000 .
C024 C 0.3017(6) 0.9951(4) 0.4517(3) 0.063(2) Uani 1.000000 .
C026 C 0.2107(7) 0.9835(4) 0.4702(3) 0.069(2) Uani 1.000000 .
C027 C 0.0987(9) 0.7926(5) 0.5374(4) 0.098(4) Uani 1.000000 .


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
Pd00 Cl00 2.2979(12) . ?
Pd00 N007 2.042(4) . ?
Pd00 N008 2.044(4) . ?
Pd00 N009 1.940(4) . ?
P002 N008 1.598(4) . ?
P002 C00D 1.808(5) . ?
P002 C00E 1.807(5) . ?
P002 C00G 1.810(5) . ?
P004 N007 1.599(4) . ?
P004 C00O 1.796(5) . ?
P004 C00S 1.812(5) . ?
P004 C00T 1.806(5) . ?
Cl1 C027 1.519(10) . ?
Cl2 C027 1.875(10) . ?
N007 C00A 1.479(6) . ?
N008 C00F 1.487(5) . ?
N009 C00B 1.338(6) . ?
N009 C00C 1.346(6) . ?
C00A C00B 1.516(7) . ?
C00B C01B 1.375(7) . ?
C00C C00F 1.500(6) . ?
C00C C019 1.412(6) . ?
C00D C00J 1.378(7) . ?
C00D C00Z 1.399(7) . ?
C00E C00R 1.402(7) . ?
C00E C00Y 1.392(6) . ?
C00G C00N 1.403(7) . ?
C00G C00W 1.389(7) . ?
C00H C00P 1.400(7) . ?
C00H C010 1.413(7) . ?
C00H B01N 1.655(7) . ?
C00I C013 1.387(7) . ?
C00I C01J 1.403(7) . ?
C00I B01N 1.646(7) . ?
C00J C01S 1.405(8) . ?
C00K C00O 1.399(7) . ?
C00K C011 1.390(7) . ?
C00L C01E 1.420(7) . ?
C00L B01N 1.644(7) . ?
C00L C01Q 1.381(7) . ?
C00M C00Q 1.423(7) . ?
C00M C00V 1.392(8) . ?
C00N C01A 1.389(7) . ?
C00O C01T 1.399(7) . ?
C00P C018 1.397(7) . ?
C00Q C00X 1.391(8) . ?
C00R C01K 1.406(7) . ?
C00S C014 1.380(8) . ?
C00S C01P 1.412(7) . ?
C00T C01O 1.395(8) . ?
C00T C021 1.401(8) . ?
C00U C00Y 1.391(8) . ?
C00U C01H 1.397(9) . ?
C00V C016 1.411(7) . ?
C00V B01N 1.663(7) . ?
C00W C01X 1.395(7) . ?
C00X C01D 1.409(9) . ?
C00Z C01F 1.399(7) . ?
C010 C01G 1.393(7) . ?
C011 C015 1.385(8) . ?
C012 C013 1.394(8) . ?
C012 C017 1.390(9) . ?
C014 C020 1.407(8) . ?
C015 C01R 1.409(9) . ?
C016 C01D 1.404(8) . ?
C017 C01L 1.380(9) . ?
C018 C01C 1.421(8) . ?
C019 C01I 1.389(7) . ?
C01A C01M 1.404(8) . ?
C01B C01I 1.410(7) . ?
C01C C01G 1.380(8) . ?
C01E C01Z 1.408(8) . ?
C01F C01U 1.381(8) . ?
C01H C01K 1.380(9) . ?
C01J C01L 1.403(8) . ?
C01M C01X 1.394(8) . ?
C01O C01Y 1.411(8) . ?
C01P C01V 1.385(8) . ?
C01Q C023 1.426(8) . ?
C01R C01T 1.383(8) . ?
C01S C01U 1.392(8) . ?
C01V C01W 1.401(11) . ?
C01W C020 1.387(10) . ?
C01Y C024 1.369(11) . ?
C01Z C022 1.387(10) . ?
C021 C026 1.425(10) . ?
C022 C023 1.390(9) . ?
C024 C026 1.401(12) . ?

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
N007 Pd00 Cl00 99.37(11) . . ?
N008 Pd00 Cl00 99.12(11) . . ?
N008 Pd00 N007 161.51(15) . . ?
N009 Pd00 Cl00 177.15(11) . . ?
N009 Pd00 N007 80.40(15) . . ?
N009 Pd00 N008 81.14(15) . . ?
C00D P002 N008 108.4(2) . . ?
C00E P002 N008 114.9(2) . . ?
C00E P002 C00D 110.0(2) . . ?
C00G P002 N008 110.7(2) . . ?
C00G P002 C00D 107.5(2) . . ?
C00G P002 C00E 105.1(2) . . ?
C00O P004 N007 109.4(2) . . ?
C00S P004 N007 113.5(2) . . ?
C00S P004 C00O 106.3(2) . . ?
C00T P004 N007 108.6(2) . . ?
C00T P004 C00O 109.2(2) . . ?
C00T P004 C00S 109.7(2) . . ?
P004 N007 Pd00 124.5(2) . . ?
C00A N007 Pd00 111.6(3) . . ?
C00A N007 P004 123.9(3) . . ?
P002 N008 Pd00 125.0(2) . . ?
C00F N008 Pd00 110.2(3) . . ?
C00F N008 P002 121.9(3) . . ?
C00B N009 Pd00 119.1(3) . . ?
C00C N009 Pd00 117.5(3) . . ?
C00C N009 C00B 123.4(4) . . ?
C00B C00A N007 108.1(4) . . ?
C00A C00B N009 114.6(4) . . ?
C01B C00B N009 120.3(4) . . ?
C01B C00B C00A 125.1(4) . . ?
C00F C00C N009 115.6(4) . . ?
C019 C00C N009 119.3(4) . . ?
C019 C00C C00F 125.1(4) . . ?
C00J C00D P002 121.7(4) . . ?
C00Z C00D P002 117.8(4) . . ?
C00Z C00D C00J 120.5(4) . . ?
C00R C00E P002 118.6(3) . . ?
C00Y C00E P002 121.1(4) . . ?
C00Y C00E C00R 120.3(4) . . ?
C00C C00F N008 108.5(3) . . ?
C00N C00G P002 121.1(4) . . ?
C00W C00G P002 118.8(4) . . ?
C00W C00G C00N 120.1(5) . . ?
C010 C00H C00P 115.4(4) . . ?
B01N C00H C00P 124.7(4) . . ?
B01N C00H C010 119.8(4) . . ?
C01J C00I C013 115.1(5) . . ?
B01N C00I C013 126.2(4) . . ?
B01N C00I C01J 118.7(4) . . ?
C01S C00J C00D 119.3(5) . . ?
C011 C00K C00O 120.3(5) . . ?
B01N C00L C01E 121.0(5) . . ?
C01Q C00L C01E 116.7(5) . . ?
C01Q C00L B01N 122.1(4) . . ?
C00V C00M C00Q 121.8(5) . . ?
C01A C00N C00G 119.6(5) . . ?
C00K C00O P004 119.7(4) . . ?
C01T C00O P004 119.7(4) . . ?
C01T C00O C00K 120.1(5) . . ?
C018 C00P C00H 123.2(5) . . ?
C00X C00Q C00M 120.5(5) . . ?
C01K C00R C00E 119.1(5) . . ?
C014 C00S P004 118.3(4) . . ?
C01P C00S P004 121.5(4) . . ?
C01P C00S C014 120.2(5) . . ?
C01O C00T P004 117.5(4) . . ?
C021 C00T P004 121.1(4) . . ?
C021 C00T C01O 121.4(5) . . ?
C01H C00U C00Y 119.7(5) . . ?
C016 C00V C00M 116.1(5) . . ?
B01N C00V C00M 125.7(4) . . ?
B01N C00V C016 118.2(5) . . ?
C01X C00W C00G 120.1(5) . . ?
C01D C00X C00Q 119.2(5) . . ?
C00U C00Y C00E 120.2(5) . . ?
C01F C00Z C00D 119.7(5) . . ?
C01G C010 C00H 122.7(5) . . ?
C015 C011 C00K 119.4(5) . . ?
C017 C012 C013 119.5(5) . . ?
C012 C013 C00I 123.7(5) . . ?
C020 C014 C00S 120.4(5) . . ?
C01R C015 C011 120.7(5) . . ?
C01D C016 C00V 123.5(6) . . ?
C01L C017 C012 119.0(5) . . ?
C01C C018 C00P 119.1(5) . . ?
C01I C019 C00C 117.7(4) . . ?
C01M C01A C00N 120.6(5) . . ?
C01I C01B C00B 118.2(4) . . ?
C01G C01C C018 118.9(5) . . ?
C016 C01D C00X 118.8(5) . . ?
C01Z C01E C00L 122.1(5) . . ?
C01U C01F C00Z 120.3(5) . . ?
C01C C01G C010 120.5(5) . . ?
C01K C01H C00U 120.6(5) . . ?
C01B C01I C019 121.1(5) . . ?
C01L C01J C00I 122.4(6) . . ?
C01H C01K C00R 120.2(6) . . ?
C01J C01L C017 120.2(6) . . ?
C01X C01M C01A 119.3(5) . . ?
C00I B01N C00H 106.5(4) . . ?
C00L B01N C00H 112.6(4) . . ?
C00L B01N C00I 108.6(4) . . ?
C00V B01N C00H 111.7(4) . . ?
C00V B01N C00I 109.7(4) . . ?
C00V B01N C00L 107.8(4) . . ?
C01Y C01O C00T 119.5(6) . . ?
C01V C01P C00S 118.9(6) . . ?
C023 C01Q C00L 122.6(5) . . ?
C01T C01R C015 119.7(5) . . ?
C01U C01S C00J 120.7(5) . . ?
C01R C01T C00O 119.8(5) . . ?
C01S C01U C01F 119.6(5) . . ?
C01W C01V C01P 121.2(6) . . ?
C020 C01W C01V 119.6(5) . . ?
C01M C01X C00W 120.3(5) . . ?
C024 C01Y C01O 120.4(7) . . ?
C022 C01Z C01E 118.9(5) . . ?
C01W C020 C014 119.7(6) . . ?
C026 C021 C00T 117.7(6) . . ?
C023 C022 C01Z 121.2(6) . . ?
C022 C023 C01Q 118.4(6) . . ?
C026 C024 C01Y 120.4(6) . . ?
C024 C026 C021 120.6(7) . . ?
Cl2 C027 Cl1 127.5(8) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
