# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_19ma080_pg010
_database_code_depnum_ccdc_archive 'CCDC 2055487'
loop_
_audit_author_name
_audit_author_address
'Simon Grabowsky'
;University of Bern
Switzerland
;
_audit_update_record             
;
2021-01-12 deposited with the CCDC.	2021-04-03 downloaded from the CCDC.
;
_audit_creation_date             2019-07-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H17 N4 O Pd, F6 P'
_chemical_formula_sum            'C20 H17 F6 N4 O P Pd'
_chemical_formula_weight         580.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H17 F6 N4 O P Pd '
_chemical_oxdiff_usercomment     PG010
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 '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                   7.76590(10)
_cell_length_b                   11.65990(10)
_cell_length_c                   11.85750(10)
_cell_angle_alpha                83.0730(10)
_cell_angle_beta                 81.0700(10)
_cell_angle_gamma                85.1350(10)
_cell_volume                     1050.542(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17409
_cell_measurement_temperature    173.01(10)
_cell_measurement_theta_max      76.3710
_cell_measurement_theta_min      3.7890
_shelx_estimated_absorpt_T_max   0.715
_shelx_estimated_absorpt_T_min   0.267
_exptl_absorpt_coefficient_mu    8.543
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
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            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             576
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 -1 0.0212
0 1 1 0.0212
-1 0 -1 0.0295
1 0 1 0.0295
0 -1 0 0.0502
0 1 -1 0.0848
-1 -1 0 0.0812

_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.042
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
0.0000 -1.0000 -1.0000 -0.0327 0.1743 0.0032
-0.0000 1.0000 1.0000 0.0327 -0.1743 -0.0032
-1.0000 0.0000 -1.0000 -0.2234 0.0146 0.0088
1.0000 -0.0000 1.0000 0.2234 -0.0146 -0.0088
0.0000 -1.0000 0.0000 0.0195 0.0963 -0.0902
0.0000 1.0000 -1.0000 -0.0716 -0.0184 0.1835
-1.0000 -1.0000 0.0000 -0.1518 0.0330 -0.1748

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20226
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.165
_diffrn_reflns_theta_min         3.796
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     32.00 120.00   0.50    0.10    --   47.95  60.00  13.00  176
  2  ω    -23.00  64.00   0.50    0.10    --   47.95 -60.00-125.00  174
  3  ω     92.00 174.00   0.50    0.39    --  107.11  60.00  13.00  164
  4  ω     36.00  67.00   0.50    0.39    --  107.11 -60.00-125.00   62
  5  ω    -34.00  54.00   0.50    0.10    --  -18.75  60.00  13.00  176
  6  ω    -90.00  -2.00   0.50    0.10    --  -18.75 -60.00-125.00  176
  7  ω    -66.00  -9.00   0.50    0.10    --  -18.75 125.00  60.00  114
  8  ω    -66.00  -9.00   0.50    0.10    --  -18.75 125.00  30.00  114
  9  ω    -26.00  23.00   0.50    0.10    --   47.95 -19.00 120.00   98
 10  ω    -26.00  23.00   0.50    0.10    --   47.95 -19.00  90.00   98
 11  ω     32.00  96.00   0.50    0.10    --   47.95-125.00  90.00  128
 12  ω     95.00 174.00   0.50    0.39    --  107.11  45.00  60.00  158
 13  ω     35.00 102.00   0.50    0.39    --  107.11 -77.00 -30.00  134
 14  ω     35.00 102.00   0.50    0.39    --  107.11 -77.00  60.00  134
 15  ω     35.00  68.00   0.50    0.39    --  107.11 -61.00  60.00   66
 16  ω     35.00 109.00   0.50    0.39    --  107.11 -94.00-180.00  148
 17  ω     35.00  68.00   0.50    0.39    --  107.11 -61.00 -30.00   66
 18  ω     35.00 117.00   0.50    0.39    --  107.11-125.00 -60.00  164
 19  ω     94.00 174.00   0.50    0.39    --  107.11  15.00 -90.00  160
 20  ω     35.00  68.00   0.50    0.39    --  107.11 -61.00  90.00   66
 21  ω     35.00 117.00   0.50    0.39    --  107.11-125.00-180.00  164
 22  ω     91.00 174.00   0.50    0.39    --  107.11  61.00  30.00  166
 23  ω     95.00 174.00   0.50    0.39    --  107.11  45.00 -30.00  158
 24  ω     35.00 109.00   0.50    0.39    --  107.11 -94.00 -30.00  148
 25  ω     35.00 109.00   0.50    0.39    --  107.11 -94.00  60.00  148
 26  ω     95.00 174.00   0.50    0.39    --  107.11  30.00-180.00  158
 27  ω     35.00 117.00   0.50    0.39    --  107.11-125.00-120.00  164
 28  ω     35.00 109.00   0.50    0.39    --  107.11 -94.00 -60.00  148
 29  ω     35.00 109.00   0.50    0.39    --  107.11 -94.00-120.00  148
 30  ω     95.00 174.00   0.50    0.39    --  107.11  45.00 -60.00  158
 31  ω    -66.00  -9.00   0.50    0.10    --  -18.75 125.00-120.00  114
 32  ω     26.00 120.00   0.50    0.10    --   47.95  77.00  60.00  188
 33  ω     26.00 120.00   0.50    0.10    --   47.95  77.00  30.00  188
 34  ω     26.00 120.00   0.50    0.10    --   47.95  77.00-150.00  188
 35  ω    -26.00  23.00   0.50    0.10    --   47.95 -19.00 -60.00   98
 36  ω     26.00 120.00   0.50    0.10    --   47.95  77.00 -60.00  188
 37  ω     26.00 120.00   0.50    0.10    --   47.95  77.00-180.00  188
 38  ω     26.00 120.00   0.50    0.10    --   47.95  77.00 -90.00  188
 39  ω     26.00 101.00   0.50    0.10    --   47.95  77.00 150.00  150
 40  ω     26.00 120.00   0.50    0.10    --   47.95  77.00 120.00  188
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1712876000
_diffrn_orient_matrix_UB_12      -0.0194781000
_diffrn_orient_matrix_UB_13      0.0521320000
_diffrn_orient_matrix_UB_21      0.0633398000
_diffrn_orient_matrix_UB_22      -0.0963453000
_diffrn_orient_matrix_UB_23      -0.0779296000
_diffrn_orient_matrix_UB_31      0.0845975000
_diffrn_orient_matrix_UB_32      0.0901868000
_diffrn_orient_matrix_UB_33      -0.0933525000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4260
_reflns_number_total             4327
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.282
_refine_diff_density_min         -0.836
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0329
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0386P)²+2.2112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0824
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15),
 C16(H16), C17(H17)
2.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C)
;
_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
Pd1 Pd 0.36972(3) 0.60401(2) 0.35735(2) 0.02498(8) Uani 1 1 d . . . . .
O1 O 0.2041(3) 0.90354(19) 0.51316(19) 0.0358(5) Uani 1 1 d . . . . .
N1 N 0.2267(3) 0.6007(2) 0.5089(2) 0.0252(5) Uani 1 1 d . . . . .
C1 C 0.3612(4) 0.4316(3) 0.3949(3) 0.0325(7) Uani 1 1 d . . . . .
N2 N 0.3167(3) 0.7857(2) 0.3718(2) 0.0267(5) Uani 1 1 d . . . . .
C2 C 0.4421(5) 0.3438(3) 0.3325(3) 0.0410(8) Uani 1 1 d . . . . .
H2 H 0.512677 0.362170 0.262824 0.049 Uiso 1 1 calc R . . . .
N3 N 0.2508(3) 0.9599(2) 0.2549(2) 0.0277(5) Uani 1 1 d . . . . .
C3 C 0.4186(5) 0.2297(3) 0.3728(4) 0.0467(9) Uani 1 1 d . . . . .
H3 H 0.476616 0.171925 0.330708 0.056 Uiso 1 1 calc R . . . .
N4 N 0.5129(4) 0.6004(3) 0.2016(2) 0.0351(6) Uani 1 1 d . . . . .
C4 C 0.3095(6) 0.1982(3) 0.4758(4) 0.0514(10) Uani 1 1 d . . . . .
H4 H 0.291752 0.120679 0.500260 0.062 Uiso 1 1 calc R . . . .
C5 C 0.2279(5) 0.2849(3) 0.5410(3) 0.0390(8) Uani 1 1 d . . . . .
H5 H 0.155468 0.266318 0.609808 0.047 Uiso 1 1 calc R . . . .
C6 C 0.2574(4) 0.3998(3) 0.5007(3) 0.0307(6) Uani 1 1 d . . . . .
C7 C 0.1863(4) 0.4967(3) 0.5665(3) 0.0288(6) Uani 1 1 d . . . . .
C8 C 0.0920(4) 0.4938(3) 0.6758(3) 0.0365(7) Uani 1 1 d . . . . .
H8 H 0.061153 0.423514 0.716580 0.044 Uiso 1 1 calc R . . . .
C9 C 0.0442(5) 0.5955(3) 0.7238(3) 0.0407(8) Uani 1 1 d . . . . .
H9 H -0.017672 0.593659 0.797719 0.049 Uiso 1 1 calc R . . . .
C10 C 0.0874(4) 0.7009(3) 0.6630(3) 0.0348(7) Uani 1 1 d . . . . .
H10 H 0.055372 0.769982 0.695032 0.042 Uiso 1 1 calc R . . . .
C11 C 0.1792(4) 0.7005(3) 0.5537(3) 0.0280(6) Uani 1 1 d . . . . .
C12 C 0.2339(4) 0.8082(3) 0.4775(3) 0.0273(6) Uani 1 1 d . . . . .
C13 C 0.3685(4) 0.8757(2) 0.2912(2) 0.0256(6) Uani 1 1 d . . . . .
C14 C 0.5427(4) 0.8797(3) 0.2396(3) 0.0317(6) Uani 1 1 d . . . . .
H14 H 0.624195 0.821124 0.260805 0.038 Uiso 1 1 calc R . . . .
C15 C 0.5955(5) 0.9685(3) 0.1581(3) 0.0362(7) Uani 1 1 d . . . . .
H15 H 0.712028 0.970656 0.124960 0.043 Uiso 1 1 calc R . . . .
C16 C 0.4732(5) 1.0550(3) 0.1256(3) 0.0367(7) Uani 1 1 d . . . . .
H16 H 0.507090 1.116905 0.071970 0.044 Uiso 1 1 calc R . . . .
C17 C 0.3040(5) 1.0479(3) 0.1733(3) 0.0341(7) Uani 1 1 d . . . . .
H17 H 0.221359 1.104530 0.149846 0.041 Uiso 1 1 calc R . . . .
C18 C 0.0625(4) 0.9562(3) 0.2959(3) 0.0366(7) Uani 1 1 d . . . . .
H18A H 0.031486 0.877188 0.307464 0.055 Uiso 1 1 calc GR . . . .
H18B H -0.001696 0.999109 0.239824 0.055 Uiso 1 1 calc GR . . . .
H18C H 0.034804 0.989723 0.367099 0.055 Uiso 1 1 calc GR . . . .
C19 C 0.5799(4) 0.6025(3) 0.1095(3) 0.0333(7) Uani 1 1 d . . . . .
C20 C 0.6626(5) 0.6043(4) -0.0099(3) 0.0437(8) Uani 1 1 d . . . . .
H20A H 0.574593 0.617286 -0.059430 0.066 Uiso 1 1 calc GR . . . .
H20B H 0.726530 0.531410 -0.021111 0.066 Uiso 1 1 calc GR . . . .
H20C H 0.741219 0.665380 -0.027568 0.066 Uiso 1 1 calc GR . . . .
P1 P 0.09298(11) 0.75546(7) 0.03200(7) 0.03257(18) Uani 1 1 d . . . . .
F1 F 0.0113(5) 0.7793(3) -0.0817(2) 0.0864(11) Uani 1 1 d . . . . .
F2 F 0.2794(4) 0.7243(3) -0.0358(3) 0.0903(11) Uani 1 1 d . . . . .
F3 F 0.0537(4) 0.6226(2) 0.0385(3) 0.0676(7) Uani 1 1 d . . . . .
F4 F 0.1638(5) 0.7268(3) 0.1515(3) 0.0978(12) Uani 1 1 d . . . . .
F5 F -0.0939(4) 0.7804(3) 0.1028(3) 0.0763(9) Uani 1 1 d . . . . .
F6 F 0.1292(4) 0.8865(2) 0.0293(3) 0.0762(9) Uani 1 1 d . . . . .


_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 N1 1.959(2) . ?
Pd1 C1 2.010(3) . ?
Pd1 N2 2.146(2) . ?
Pd1 N4 2.005(3) . ?
O1 C12 1.227(4) . ?
N1 C7 1.354(4) . ?
N1 C11 1.337(4) . ?
C1 C2 1.385(5) . ?
C1 C6 1.409(5) . ?
N2 C12 1.362(4) . ?
N2 C13 1.375(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.376(6) . ?
N3 C13 1.361(4) . ?
N3 C17 1.367(4) . ?
N3 C18 1.470(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.403(6) . ?
N4 C19 1.133(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.396(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.393(5) . ?
C6 C7 1.470(5) . ?
C7 C8 1.385(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.375(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.387(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.379(4) . ?
C11 C12 1.507(4) . ?
C13 C14 1.398(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.371(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.353(5) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.459(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
P1 F1 1.563(3) . ?
P1 F2 1.579(3) . ?
P1 F3 1.594(3) . ?
P1 F4 1.587(3) . ?
P1 F5 1.583(3) . ?
P1 F6 1.573(3) . ?

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
N1 Pd1 C1 81.11(12) . . ?
N1 Pd1 N2 79.04(10) . . ?
N1 Pd1 N4 177.47(11) . . ?
C1 Pd1 N2 160.04(12) . . ?
N4 Pd1 C1 96.56(13) . . ?
N4 Pd1 N2 103.26(11) . . ?
C7 N1 Pd1 118.5(2) . . ?
C11 N1 Pd1 118.9(2) . . ?
C11 N1 C7 122.6(3) . . ?
C2 C1 Pd1 129.2(3) . . ?
C2 C1 C6 117.9(3) . . ?
C6 C1 Pd1 112.9(2) . . ?
C12 N2 Pd1 112.98(19) . . ?
C12 N2 C13 119.7(2) . . ?
C13 N2 Pd1 127.11(19) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.4(4) . . ?
C3 C2 H2 119.8 . . ?
C13 N3 C17 120.4(3) . . ?
C13 N3 C18 121.9(3) . . ?
C17 N3 C18 117.6(3) . . ?
C2 C3 H3 119.2 . . ?
C2 C3 C4 121.7(4) . . ?
C4 C3 H3 119.2 . . ?
C19 N4 Pd1 173.5(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.6(4) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C7 115.0(3) . . ?
C5 C6 C1 122.4(3) . . ?
C5 C6 C7 122.6(3) . . ?
N1 C7 C6 112.3(3) . . ?
N1 C7 C8 118.6(3) . . ?
C8 C7 C6 129.1(3) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.7(3) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.5(3) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.9 . . ?
C11 C10 C9 118.2(3) . . ?
C11 C10 H10 120.9 . . ?
N1 C11 C10 120.5(3) . . ?
N1 C11 C12 115.6(3) . . ?
C10 C11 C12 124.0(3) . . ?
O1 C12 N2 126.7(3) . . ?
O1 C12 C11 120.4(3) . . ?
N2 C12 C11 112.9(3) . . ?
N2 C13 C14 120.6(3) . . ?
N3 C13 N2 121.1(3) . . ?
N3 C13 C14 118.2(3) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 C13 121.1(3) . . ?
C15 C14 H14 119.4 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.3(3) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.0(3) . . ?
C17 C16 H16 120.5 . . ?
N3 C17 H17 119.0 . . ?
C16 C17 N3 122.0(3) . . ?
C16 C17 H17 119.0 . . ?
N3 C18 H18A 109.5 . . ?
N3 C18 H18B 109.5 . . ?
N3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 C20 178.7(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
F1 P1 F2 91.7(2) . . ?
F1 P1 F3 88.94(18) . . ?
F1 P1 F4 175.9(2) . . ?
F1 P1 F5 89.5(2) . . ?
F1 P1 F6 92.13(19) . . ?
F2 P1 F3 88.20(17) . . ?
F2 P1 F4 91.3(2) . . ?
F2 P1 F5 177.21(19) . . ?
F4 P1 F3 88.48(19) . . ?
F5 P1 F3 89.32(15) . . ?
F5 P1 F4 87.4(2) . . ?
F6 P1 F2 93.02(17) . . ?
F6 P1 F3 178.36(17) . . ?
F6 P1 F4 90.39(19) . . ?
F6 P1 F5 89.44(16) . . ?

_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 1.505
_oxdiff_exptl_absorpt_empirical_full_min 0.732
