# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_pdrlla
_database_code_depnum_ccdc_archive 'CCDC 2124145'
loop_
_audit_author_name
_audit_author_address
'Stephen Argent'
;University of Nottingham
United Kingdom
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2025-03-20 downloaded from the CCDC.
;
_nottingham_internal_coll_name   PDRLLA
_nottingham_internal_coll_number 19091
_nottingham_internal_coll_client RL/ANK
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_method '\w scans'
_nottingham_internal_coll_frame_time 30.00
_nottingham_internal_coll_frame_width 1.00
_nottingham_internal_coll_user   pczspa
_nottingham_internal_coll_date   01/11/2021
_nottingham_internal_coll_location NOTTS
_nottingham_internal_coll_instrument 'SN, XDA 017-09'
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_date 02/11/2021
_nottingham_internal_process_user pczspa
_nottingham_internal_solution_date 02/11/2021
_nottingham_internal_solution_user pczspa
_nottingham_internal_refinement_date 02/11/2021
_nottingham_internal_refinement_user pczspa
_nottingham_internal_self_archive_date ?
_nottingham_internal_self_validation_date ?
_nottingham_internal_self_validation_user ?
_nottingham_internal_validation_date 02/11/2021
_nottingham_internal_validation_user pczspa
_nottingham_internal_archive_date 02/11/2021
_refine_special_details          
'All hydrogen atoms were observed in the electron density map before being geometrically placed and refined with a riding model.'
_audit_creation_date             2021-11-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H24 Br2 N4 Pd, C H2 Cl2'
_chemical_formula_sum            'C23 H26 Br2 Cl2 N4 Pd'
_chemical_formula_weight         695.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         C23H26Br2Cl2N4Pd
_chemical_oxdiff_usercomment     
'PDRLLA #19091 SN-1644 for RL/ANK fomblin micromount'
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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                   14.4693(4)
_cell_length_b                   9.1908(3)
_cell_length_c                   19.4408(6)
_cell_angle_alpha                90
_cell_angle_beta                 99.968(3)
_cell_angle_gamma                90
_cell_volume                     2546.30(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17274
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      34.6490
_cell_measurement_theta_min      4.2430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.096
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 -4 -1 0.0267
5 4 1 0.0267
0 0 1 0.0528
0 0 -1 0.0528
1 -1 0 0.0631
-5 3 3 0.0535
-3 3 -5 0.0689
-5 -3 4 0.0338

_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.053
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-4.9975 -3.9993 -0.9999 -0.3946 -0.0358 -0.0698
4.9975 3.9993 0.9999 0.3946 0.0358 0.0698
0.0002 -0.0002 0.9999 0.0119 0.0146 -0.0319
-0.0002 0.0002 -0.9999 -0.0119 -0.0146 0.0319
0.9996 -0.9995 -0.0007 -0.0381 0.0824 0.0136
-4.9974 2.9976 3.0021 0.0988 -0.2814 -0.1710
-2.9998 2.9999 -4.9974 0.0551 -0.3202 0.1188
-4.9966 -3.0008 3.9999 -0.2716 -0.0062 -0.2255

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            38462
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.096
_diffrn_reflns_theta_min         3.541
_diffrn_ambient_environment      'N2 gas'
_diffrn_ambient_temperature      120(2)
_diffrn_crystal_treatment        'flash frozen in gaseous N2'
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 10.3613
_diffrn_detector_type            'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  49.00   1.00   30.00    --  -23.76  40.00 127.00   93
  2  ω    -58.00 -31.00   1.00   30.00    --  -23.76 -40.00 -25.00   27
  3  ω    -49.00  49.00   1.00   30.00    --   24.70 -40.00 -25.00   98
  4  ω     14.00  97.00   1.00   30.00    --   24.70  40.00 127.00   83
  5  ω    -41.00   9.00   1.00   30.00    --  -23.76 -77.00 -60.00   50
  6  ω    -39.00   9.00   1.00   30.00    --  -23.76 -77.00  90.00   48
  7  ω    -42.00   9.00   1.00   30.00    --  -23.76 -77.00 150.00   51
  8  ω   -100.00 -67.00   1.00   30.00    --  -23.76 155.00 -27.04   33
  9  ω    -65.00 -15.00   1.00   30.00    --  -23.76  19.00 -30.00   50
 10  ω     12.00  48.00   1.00   30.00    --  -23.76  19.00 -30.00   36
 11  ω     38.00 112.00   1.00   30.00    --   24.70-178.00 -90.00   74
 12  ω      0.00  94.00   1.00   30.00    --   24.70  38.00 -60.00   94
 13  ω      2.00  99.00   1.00   30.00    --   24.70  38.00  30.00   97
 14  ω      9.00  79.00   1.00   30.00    --   24.70-123.00 -47.36   70
;
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'SuperNova, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0255839000
_diffrn_orient_matrix_UB_12      0.0637277000
_diffrn_orient_matrix_UB_13      0.0118640000
_diffrn_orient_matrix_UB_21      0.0390088000
_diffrn_orient_matrix_UB_22      -0.0434346000
_diffrn_orient_matrix_UB_23      0.0145841000
_diffrn_orient_matrix_UB_31      0.0173246000
_diffrn_orient_matrix_UB_32      0.0037825000
_diffrn_orient_matrix_UB_33      -0.0319073000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_type              'Agilent Diffraction microfocus tube'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4544
_reflns_number_total             5432
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     33.07
_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       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.242
_refine_diff_density_min         -1.644
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         5432
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0357
_refine_ls_restrained_S_all      1.165
_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)+(0.0216P)²+9.3601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0801
_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 C(H,H,H) groups
2. Others
 Fixed Sof: H1SA(0.5) H1SB(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C1S(H1SA,H1SB)
3.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15)
3.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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
Pd1 Pd 0.500000 0.500000 0.500000 0.01671(5) Uani 1 2 d S . P . .
Br2 Br 0.52801(2) 0.26110(3) 0.55459(2) 0.02412(6) Uani 1 1 d . . . . .
N4 N 0.68853(13) 0.6276(2) 0.56459(10) 0.0207(4) Uani 1 1 d . . . . .
N7 N 0.70703(13) 0.4741(2) 0.48546(10) 0.0205(3) Uani 1 1 d . . . . .
C3 C 0.64033(15) 0.5372(2) 0.51695(11) 0.0187(4) Uani 1 1 d . . . . .
C5 C 0.78375(16) 0.6232(3) 0.56296(13) 0.0250(4) Uani 1 1 d . . . . .
H5 H 0.831503 0.677924 0.591311 0.030 Uiso 1 1 calc R U . . .
C6 C 0.79535(16) 0.5265(3) 0.51352(13) 0.0247(4) Uani 1 1 d . . . . .
H6 H 0.853088 0.499098 0.500247 0.030 Uiso 1 1 calc R U . . .
C8 C 0.64474(19) 0.7219(3) 0.61012(14) 0.0275(5) Uani 1 1 d . . . . .
H8A H 0.609839 0.799381 0.582304 0.041 Uiso 1 1 calc R U . . .
H8B H 0.693357 0.764975 0.645634 0.041 Uiso 1 1 calc R U . . .
H8C H 0.601626 0.664549 0.632985 0.041 Uiso 1 1 calc R U . . .
C9 C 0.68780(19) 0.3703(3) 0.42763(13) 0.0255(5) Uani 1 1 d . . . . .
H9A H 0.624410 0.328565 0.426143 0.031 Uiso 1 1 calc R U . . .
H9B H 0.733712 0.289662 0.436120 0.031 Uiso 1 1 calc R U . . .
C10 C 0.69309(17) 0.4394(3) 0.35766(12) 0.0234(4) Uani 1 1 d . . . . .
C11 C 0.6229(2) 0.5324(3) 0.32529(15) 0.0319(5) Uani 1 1 d . . . . .
H11 H 0.571274 0.555185 0.347618 0.038 Uiso 1 1 calc R U . . .
C12 C 0.6281(2) 0.5918(3) 0.26056(15) 0.0356(6) Uani 1 1 d . . . . .
H12 H 0.580217 0.655513 0.238689 0.043 Uiso 1 1 calc R U . . .
C13 C 0.7032(3) 0.5582(3) 0.22764(15) 0.0378(7) Uani 1 1 d . . . . .
H13 H 0.705996 0.597483 0.182842 0.045 Uiso 1 1 calc R U . . .
C14 C 0.7733(2) 0.4687(4) 0.25962(15) 0.0359(6) Uani 1 1 d . . . . .
H14 H 0.824916 0.446619 0.237197 0.043 Uiso 1 1 calc R U . . .
C15 C 0.7689(2) 0.4100(3) 0.32480(14) 0.0288(5) Uani 1 1 d . . . . .
H15 H 0.818269 0.349199 0.347096 0.035 Uiso 1 1 calc R U . . .
Cl2S Cl 0.47446(7) 0.92176(13) 0.67401(4) 0.0553(3) Uani 1 1 d . . . . .
C1S C 0.500000 0.8171(8) 0.750000 0.073(2) Uani 1 2 d S T P . .
H1SA H 0.554339 0.753571 0.746744 0.087 Uiso 0.5 1 calc R U P . .
H1SB H 0.445659 0.753573 0.753255 0.087 Uiso 0.5 1 calc R 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
Pd1 Br2 2.4418(2) 5_666 ?
Pd1 Br2 2.4418(2) . ?
Pd1 C3 2.029(2) 5_666 ?
Pd1 C3 2.029(2) . ?
N4 C3 1.345(3) . ?
N4 C5 1.384(3) . ?
N4 C8 1.459(3) . ?
N7 C3 1.359(3) . ?
N7 C6 1.386(3) . ?
N7 C9 1.464(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.341(4) . ?
C6 H6 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.515(3) . ?
C10 C11 1.391(4) . ?
C10 C15 1.389(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.369(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C15 H15 0.9500 . ?
Cl2S C1S 1.748(4) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?

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
Br2 Pd1 Br2 180.0 5_666 . ?
C3 Pd1 Br2 89.71(6) 5_666 5_666 ?
C3 Pd1 Br2 89.71(6) . . ?
C3 Pd1 Br2 90.29(6) . 5_666 ?
C3 Pd1 Br2 90.29(6) 5_666 . ?
C3 Pd1 C3 180.0 5_666 . ?
C3 N4 C5 111.4(2) . . ?
C3 N4 C8 123.8(2) . . ?
C5 N4 C8 124.7(2) . . ?
C3 N7 C6 110.7(2) . . ?
C3 N7 C9 124.7(2) . . ?
C6 N7 C9 124.6(2) . . ?
N4 C3 Pd1 126.93(17) . . ?
N4 C3 N7 104.46(19) . . ?
N7 C3 Pd1 128.57(17) . . ?
N4 C5 H5 126.7 . . ?
C6 C5 N4 106.5(2) . . ?
C6 C5 H5 126.7 . . ?
N7 C6 H6 126.5 . . ?
C5 C6 N7 106.9(2) . . ?
C5 C6 H6 126.5 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N7 C9 H9A 109.1 . . ?
N7 C9 H9B 109.1 . . ?
N7 C9 C10 112.6(2) . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 H9A 109.1 . . ?
C10 C9 H9B 109.1 . . ?
C11 C10 C9 121.1(2) . . ?
C15 C10 C9 119.9(2) . . ?
C15 C10 C11 119.0(2) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.1(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.5(3) . . ?
C14 C15 H15 119.7 . . ?
Cl2S C1S Cl2S 113.2(4) . 2_656 ?
Cl2S C1S H1SA 108.9 2_656 . ?
Cl2S C1S H1SA 108.9 . . ?
Cl2S C1S H1SB 108.9 . . ?
Cl2S C1S H1SB 108.9 2_656 . ?
H1SA C1S H1SB 107.7 . . ?

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
N4 C5 C6 N7 0.4(3) . . . . ?
N7 C9 C10 C11 -73.5(3) . . . . ?
N7 C9 C10 C15 106.6(3) . . . . ?
C3 N4 C5 C6 -0.6(3) . . . . ?
C3 N7 C6 C5 0.0(3) . . . . ?
C3 N7 C9 C10 101.9(3) . . . . ?
C5 N4 C3 Pd1 178.37(16) . . . . ?
C5 N4 C3 N7 0.6(3) . . . . ?
C6 N7 C3 Pd1 -178.08(17) . . . . ?
C6 N7 C3 N4 -0.4(2) . . . . ?
C6 N7 C9 C10 -75.0(3) . . . . ?
C8 N4 C3 Pd1 -3.8(3) . . . . ?
C8 N4 C3 N7 178.5(2) . . . . ?
C8 N4 C5 C6 -178.5(2) . . . . ?
C9 N7 C3 Pd1 4.6(3) . . . . ?
C9 N7 C3 N4 -177.7(2) . . . . ?
C9 N7 C6 C5 177.3(2) . . . . ?
C9 C10 C11 C12 -178.5(3) . . . . ?
C9 C10 C15 C14 177.9(3) . . . . ?
C10 C11 C12 C13 0.3(5) . . . . ?
C11 C10 C15 C14 -2.0(4) . . . . ?
C11 C12 C13 C14 -1.3(5) . . . . ?
C12 C13 C14 C15 0.6(5) . . . . ?
C13 C14 C15 C10 1.0(5) . . . . ?
C15 C10 C11 C12 1.4(4) . . . . ?

_olex2_exptl_crystal_mounting_method 'in fomblin film on a micromount'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.120
_oxdiff_exptl_absorpt_empirical_full_min 0.909
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane'
