# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_MnPcCl2
_database_code_depnum_ccdc_archive 'CCDC 2129804'
loop_
_audit_author_name
_audit_author_address
'Masaki Matsuda'
;Kumamoto University
Japan
;
_audit_update_record             
;
2021-12-20 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_audit_creation_date             2021-11-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C32 H16 Cl2 Mn N8), C24 H20 P'
_chemical_formula_sum            'C88 H52 Cl4 Mn2 N16 P'
_chemical_formula_weight         1616.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         C88H52N16Cl4Mn2P1
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'
P P 0.1023 0.0942 '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'
Mn Mn 0.3368 0.7283 '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      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'

_cell_length_a                   21.6778(4)
_cell_length_b                   21.6778(4)
_cell_length_c                   7.4426(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3497.48(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7884
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.8990
_cell_measurement_theta_min      1.8750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1650
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            17320
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.124
_diffrn_reflns_theta_min         1.879
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00   7.00   0.50  175.00    --   10.13  -5.00-134.00   52
  2  ω     27.00  62.00   0.50  175.00    --   10.13-133.00 177.00   70
  3  ω    -63.00 -37.00   0.50  175.00    --   10.13  -5.00-134.00   52
  4  ω     -1.00  71.00   0.50  175.00    --   10.13  37.00-120.00  144
  5  ω    -37.00  -8.00   0.50  175.00    --   10.13 124.00-156.05   58
  6  ω    -80.00  -2.00   0.50  175.00    --  -10.21 -19.00  90.00  156
  7  ω    -70.00 -45.00   0.50  175.00    --  -10.21 144.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0173790000
_diffrn_orient_matrix_UB_12      -0.0276914000
_diffrn_orient_matrix_UB_13      -0.0042644000
_diffrn_orient_matrix_UB_21      0.0276484000
_diffrn_orient_matrix_UB_22      -0.0174311000
_diffrn_orient_matrix_UB_23      0.0045004000
_diffrn_orient_matrix_UB_31      -0.0020908000
_diffrn_orient_matrix_UB_32      -0.0004190000
_diffrn_orient_matrix_UB_33      0.0950807000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2564
_reflns_number_total             3679
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         3679
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0420
_refine_ls_restrained_S_all      0.931
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1402
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_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
Mn1 Mn 0.500000 0.500000 0.000000 0.02934(18) Uani 1 2 d S . P . .
Cl1 Cl 0.40168(3) 0.44264(3) 0.09322(10) 0.0460(2) Uani 1 1 d . . . . .
N1 N 0.55222(9) 0.45691(9) 0.1751(3) 0.0286(5) Uani 1 1 d . . . . .
N2 N 0.48774(9) 0.56819(9) 0.1708(3) 0.0294(5) Uani 1 1 d . . . . .
N3 N 0.55607(10) 0.53458(9) 0.4085(3) 0.0315(5) Uani 1 1 d . . . . .
N4 N 0.42347(10) 0.63571(9) -0.0075(2) 0.0299(5) Uani 1 1 d . . . . .
C1 C 0.41907(11) 0.59854(11) -0.1482(3) 0.0273(5) Uani 1 1 d . . . . .
C2 C 0.45640(11) 0.62146(11) 0.1357(3) 0.0277(5) Uani 1 1 d . . . . .
C3 C 0.46606(11) 0.66455(11) 0.2842(3) 0.0275(5) Uani 1 1 d . . . . .
C4 C 0.44728(11) 0.72461(12) 0.3105(3) 0.0332(6) Uani 1 1 d . . . . .
H4 H 0.421752 0.744505 0.228522 0.040 Uiso 1 1 calc R U . . .
C5 C 0.46811(13) 0.75426(12) 0.4649(3) 0.0372(6) Uani 1 1 d . . . . .
H5 H 0.456806 0.794991 0.486157 0.045 Uiso 1 1 calc R U . . .
C6 C 0.50536(13) 0.72398(13) 0.5869(3) 0.0398(7) Uani 1 1 d . . . . .
H6 H 0.518252 0.744839 0.689474 0.048 Uiso 1 1 calc R U . . .
C7 C 0.52397(12) 0.66395(12) 0.5616(3) 0.0340(6) Uani 1 1 d . . . . .
H7 H 0.548576 0.643774 0.645379 0.041 Uiso 1 1 calc R U . . .
C8 C 0.50448(11) 0.63478(11) 0.4057(3) 0.0283(5) Uani 1 1 d . . . . .
C9 C 0.51797(11) 0.57419(11) 0.3323(3) 0.0268(5) Uani 1 1 d . . . . .
C10 C 0.57167(11) 0.48083(11) 0.3357(3) 0.0275(5) Uani 1 1 d . . . . .
C11 C 0.61511(11) 0.43844(11) 0.4180(3) 0.0285(5) Uani 1 1 d . . . . .
C12 C 0.64779(12) 0.44068(13) 0.5786(3) 0.0354(6) Uani 1 1 d . . . . .
H12 H 0.644824 0.474301 0.655732 0.043 Uiso 1 1 calc R U . . .
C13 C 0.68453(13) 0.39113(13) 0.6180(4) 0.0415(7) Uani 1 1 d . . . . .
H13 H 0.706874 0.391262 0.724642 0.050 Uiso 1 1 calc R U . . .
C14 C 0.68957(13) 0.34066(13) 0.5038(3) 0.0410(7) Uani 1 1 d . . . . .
H14 H 0.714573 0.307628 0.536299 0.049 Uiso 1 1 calc R U . . .
C15 C 0.65784(12) 0.33886(12) 0.3424(3) 0.0336(6) Uani 1 1 d . . . . .
H15 H 0.661653 0.305515 0.264557 0.040 Uiso 1 1 calc R U . . .
C16 C 0.62052(11) 0.38815(11) 0.3013(3) 0.0270(5) Uani 1 1 d . . . . .
P1 P 0.750000 0.750000 0.750000 0.0312(3) Uani 1 4 d S T P . .
C17 C 0.73600(12) 0.68596(12) 0.6053(3) 0.0345(6) Uani 1 1 d . . . . .
C18 C 0.68659(14) 0.68983(15) 0.4849(4) 0.0472(8) Uani 1 1 d . . . . .
H18 H 0.660753 0.724073 0.486973 0.057 Uiso 1 1 calc R U . . .
C19 C 0.67608(16) 0.64303(16) 0.3633(4) 0.0563(8) Uani 1 1 d . . . . .
H19 H 0.643201 0.645593 0.283403 0.068 Uiso 1 1 calc R U . . .
C20 C 0.71426(18) 0.59280(15) 0.3608(4) 0.0620(10) Uani 1 1 d . . . . .
H20 H 0.706707 0.560790 0.280594 0.074 Uiso 1 1 calc R U . . .
C21 C 0.76360(19) 0.58929(15) 0.4757(4) 0.0657(10) Uani 1 1 d . . . . .
H21 H 0.789551 0.555153 0.471869 0.079 Uiso 1 1 calc R U . . .
C22 C 0.77501(15) 0.63629(13) 0.5974(4) 0.0485(8) Uani 1 1 d . . . . .
H22 H 0.808992 0.634133 0.673419 0.058 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
Mn1 Cl1 2.5632(7) 5_665 ?
Mn1 Cl1 2.5632(7) . ?
Mn1 N1 1.9624(19) 5_665 ?
Mn1 N1 1.9625(19) . ?
Mn1 N2 1.9675(19) . ?
Mn1 N2 1.9675(19) 5_665 ?
N1 C1 1.368(3) 5_665 ?
N1 C10 1.370(3) . ?
N2 C2 1.365(3) . ?
N2 C9 1.375(3) . ?
N3 C9 1.320(3) . ?
N3 C10 1.329(3) . ?
N4 C1 1.325(3) . ?
N4 C2 1.319(3) . ?
C1 C16 1.456(3) 5_665 ?
C2 C3 1.462(3) . ?
C3 C4 1.378(3) . ?
C3 C8 1.388(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.392(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.375(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.387(3) . ?
C8 C9 1.452(3) . ?
C10 C11 1.451(3) . ?
C11 C12 1.390(3) . ?
C11 C16 1.399(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.369(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.389(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.385(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.374(3) . ?
P1 C17 1.783(3) 8_757 ?
P1 C17 1.783(3) . ?
P1 C17 1.783(3) 2_665 ?
P1 C17 1.783(3) 7_577 ?
C17 C18 1.399(4) . ?
C17 C22 1.370(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.368(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.371(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.386(4) . ?
C22 H22 0.9300 . ?

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
Cl1 Mn1 Cl1 180.0 . 5_665 ?
N1 Mn1 Cl1 93.96(6) 5_665 5_665 ?
N1 Mn1 Cl1 86.04(6) 5_665 . ?
N1 Mn1 Cl1 93.96(6) . . ?
N1 Mn1 Cl1 86.04(6) . 5_665 ?
N1 Mn1 N1 180.0 5_665 . ?
N1 Mn1 N2 89.62(8) . 5_665 ?
N1 Mn1 N2 90.38(8) . . ?
N1 Mn1 N2 90.38(8) 5_665 5_665 ?
N1 Mn1 N2 89.62(8) 5_665 . ?
N2 Mn1 Cl1 94.43(6) 5_665 5_665 ?
N2 Mn1 Cl1 85.57(6) 5_665 . ?
N2 Mn1 Cl1 94.43(6) . . ?
N2 Mn1 Cl1 85.57(6) . 5_665 ?
N2 Mn1 N2 180.0 5_665 . ?
C1 N1 Mn1 125.68(15) 5_665 . ?
C1 N1 C10 108.67(19) 5_665 . ?
C10 N1 Mn1 125.24(16) . . ?
C2 N2 Mn1 125.41(15) . . ?
C2 N2 C9 108.92(19) . . ?
C9 N2 Mn1 124.84(15) . . ?
C9 N3 C10 123.7(2) . . ?
C2 N4 C1 122.3(2) . . ?
N1 C1 C16 109.14(19) 5_665 5_665 ?
N4 C1 N1 128.1(2) . 5_665 ?
N4 C1 C16 122.7(2) . 5_665 ?
N2 C2 C3 109.0(2) . . ?
N4 C2 N2 128.4(2) . . ?
N4 C2 C3 122.6(2) . . ?
C4 C3 C2 132.0(2) . . ?
C4 C3 C8 121.6(2) . . ?
C8 C3 C2 106.3(2) . . ?
C3 C4 H4 121.4 . . ?
C3 C4 C5 117.2(2) . . ?
C5 C4 H4 121.4 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.9(2) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 H6 119.0 . . ?
C7 C6 C5 122.1(2) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 H7 121.4 . . ?
C6 C7 C8 117.2(2) . . ?
C8 C7 H7 121.4 . . ?
C3 C8 C7 121.0(2) . . ?
C3 C8 C9 107.2(2) . . ?
C7 C8 C9 131.7(2) . . ?
N2 C9 C8 108.6(2) . . ?
N3 C9 N2 127.8(2) . . ?
N3 C9 C8 123.6(2) . . ?
N1 C10 C11 109.2(2) . . ?
N3 C10 N1 127.6(2) . . ?
N3 C10 C11 123.2(2) . . ?
C12 C11 C10 132.2(2) . . ?
C12 C11 C16 121.2(2) . . ?
C16 C11 C10 106.6(2) . . ?
C11 C12 H12 121.5 . . ?
C13 C12 C11 116.9(2) . . ?
C13 C12 H12 121.5 . . ?
C12 C13 H13 118.9 . . ?
C12 C13 C14 122.2(2) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.9(3) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 121.2 . . ?
C16 C15 C14 117.6(2) . . ?
C16 C15 H15 121.2 . . ?
C11 C16 C1 106.4(2) . 5_665 ?
C15 C16 C1 132.5(2) . 5_665 ?
C15 C16 C11 121.1(2) . . ?
C17 P1 C17 111.40(8) 7_577 2_665 ?
C17 P1 C17 111.40(8) 8_757 . ?
C17 P1 C17 111.40(8) 7_577 . ?
C17 P1 C17 111.40(8) 8_757 2_665 ?
C17 P1 C17 105.67(16) 2_665 . ?
C17 P1 C17 105.67(16) 8_757 7_577 ?
C18 C17 P1 118.1(2) . . ?
C22 C17 P1 122.2(2) . . ?
C22 C17 C18 119.5(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.5(3) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C17 C22 C21 119.7(3) . . ?
C17 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?

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
Mn1 N1 C10 N3 5.0(4) . . . . ?
Mn1 N1 C10 C11 -173.36(15) . . . . ?
Mn1 N2 C2 N4 7.4(4) . . . . ?
Mn1 N2 C2 C3 -170.71(16) . . . . ?
Mn1 N2 C9 N3 -5.7(3) . . . . ?
Mn1 N2 C9 C8 170.70(16) . . . . ?
N1 C10 C11 C12 -180.0(3) . . . . ?
N1 C10 C11 C16 -0.4(3) . . . . ?
N2 C2 C3 C4 176.6(3) . . . . ?
N2 C2 C3 C8 0.6(3) . . . . ?
N3 C10 C11 C12 1.6(4) . . . . ?
N3 C10 C11 C16 -178.9(2) . . . . ?
N4 C2 C3 C4 -1.7(4) . . . . ?
N4 C2 C3 C8 -177.7(2) . . . . ?
C1 N1 C10 N3 178.0(2) 5_665 . . . ?
C1 N1 C10 C11 -0.3(3) 5_665 . . . ?
C1 N4 C2 N2 -3.6(4) . . . . ?
C1 N4 C2 C3 174.2(2) . . . . ?
C2 N2 C9 N3 -175.7(2) . . . . ?
C2 N2 C9 C8 0.7(3) . . . . ?
C2 N4 C1 N1 -2.9(4) . . . 5_665 ?
C2 N4 C1 C16 175.6(2) . . . 5_665 ?
C2 C3 C4 C5 -175.9(2) . . . . ?
C2 C3 C8 C7 178.5(2) . . . . ?
C2 C3 C8 C9 -0.1(3) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C3 C8 C9 N2 -0.3(3) . . . . ?
C3 C8 C9 N3 176.2(2) . . . . ?
C4 C3 C8 C7 2.0(4) . . . . ?
C4 C3 C8 C9 -176.6(2) . . . . ?
C4 C5 C6 C7 0.6(4) . . . . ?
C5 C6 C7 C8 0.9(4) . . . . ?
C6 C7 C8 C3 -2.2(4) . . . . ?
C6 C7 C8 C9 176.0(3) . . . . ?
C7 C8 C9 N2 -178.8(3) . . . . ?
C7 C8 C9 N3 -2.2(4) . . . . ?
C8 C3 C4 C5 -0.4(4) . . . . ?
C9 N2 C2 N4 177.3(2) . . . . ?
C9 N2 C2 C3 -0.8(3) . . . . ?
C9 N3 C10 N1 -0.1(4) . . . . ?
C9 N3 C10 C11 178.0(2) . . . . ?
C10 N3 C9 N2 0.5(4) . . . . ?
C10 N3 C9 C8 -175.3(2) . . . . ?
C10 C11 C12 C13 178.5(2) . . . . ?
C10 C11 C16 C1 1.0(3) . . . 5_665 ?
C10 C11 C16 C15 -178.9(2) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C12 C11 C16 C1 -179.4(2) . . . 5_665 ?
C12 C11 C16 C15 0.7(4) . . . . ?
C12 C13 C14 C15 0.9(4) . . . . ?
C13 C14 C15 C16 -1.2(4) . . . . ?
C14 C15 C16 C1 -179.4(3) . . . 5_665 ?
C14 C15 C16 C11 0.4(4) . . . . ?
C16 C11 C12 C13 -1.0(4) . . . . ?
P1 C17 C18 C19 176.3(2) . . . . ?
P1 C17 C22 C21 -176.6(2) . . . . ?
C17 P1 C17 C18 -59.6(2) 2_665 . . . ?
C17 P1 C17 C18 61.56(17) 7_577 . . . ?
C17 P1 C17 C18 179.3(2) 8_757 . . . ?
C17 P1 C17 C22 -124.4(3) 7_577 . . . ?
C17 P1 C17 C22 -6.7(2) 8_757 . . . ?
C17 P1 C17 C22 114.4(3) 2_665 . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C17 C22 C21 -2.7(4) . . . . ?
C18 C19 C20 C21 -1.4(5) . . . . ?
C19 C20 C21 C22 0.8(5) . . . . ?
C20 C21 C22 C17 1.3(5) . . . . ?
C22 C17 C18 C19 2.1(4) . . . . ?

_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 1.237
_oxdiff_exptl_absorpt_empirical_full_min 0.880
