# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_NS_C1
_audit_block_doi                 10.5517/ccdc.csd.cc2f1kdg
_database_code_depnum_ccdc_archive 'CCDC 2235825'
loop_
_audit_author_name
_audit_author_address
'Naseer Ahmad Shah'
;IIT Bombay
India
;
_audit_update_record             
;
2023-01-12 deposited with the CCDC.	2025-05-23 downloaded from the CCDC.
;
_audit_creation_date             2023-01-12
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H27 Cu N7, 2(Cl O4)'
_chemical_formula_sum            'C24 H27 Cl2 Cu N7 O8'
_chemical_formula_weight         675.96
_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'
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'
Cl Cl 0.1484 0.1585 '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'
Cu Cu 0.3201 1.2651 '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                   28.0735(5)
_cell_length_b                   10.4170(2)
_cell_length_c                   19.1868(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.623(2)
_cell_angle_gamma                90
_cell_volume                     5495.96(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    13665
_cell_measurement_temperature    107(5)
_cell_measurement_theta_max      28.2190
_cell_measurement_theta_min      2.0840
_shelx_estimated_absorpt_T_max   0.902
_shelx_estimated_absorpt_T_min   0.817
_exptl_absorpt_coefficient_mu    1.052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2776
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_unetI/netI     0.0537
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            68841
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.546
_diffrn_reflns_theta_min         1.481
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      107(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ    160.08 352.08   0.60    2.00  16.12 -12.98 -59.25    --   320
  2  ω    -65.46  -0.06   0.60    2.00    --  -15.96  94.56   1.16  109
  3  ω   -108.63  15.57   0.60    2.00    --  -12.98 -59.25 173.08  207
  4  φ    -25.73 158.47   0.60    2.00   9.41 -12.98 -31.50    --   307
  5  ω   -108.63  15.57   0.60    2.00    --  -12.98 -59.25  71.08  207
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0137848000
_diffrn_orient_matrix_UB_12      -0.0259468000
_diffrn_orient_matrix_UB_13      0.0319466000
_diffrn_orient_matrix_UB_21      -0.0210388000
_diffrn_orient_matrix_UB_22      -0.0317032000
_diffrn_orient_matrix_UB_23      0.0064888000
_diffrn_orient_matrix_UB_31      0.0056927000
_diffrn_orient_matrix_UB_32      -0.0544040000
_diffrn_orient_matrix_UB_33      -0.0190173000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7229
_reflns_number_total             9810
_reflns_odcompleteness_completeness 83.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     34.47
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_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         0.432
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         9810
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      0.963
_refine_ls_shift/su_max          0.003
_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          0.1264
_refine_ls_wR_factor_ref         0.1467
_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:
 C18(H18A,H18B), C17(H17A,H17B), C10(H10A,H10B), C8(H8A,H8B), C9(H9A,H9B),
 C7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C22(H22), C24(H24), C21(H21), C16(H16), C23(H23), C3(H3), C13(H13),
 C11(H11), C6(H6), C4(H4), C1(H1), C15(H15), C14(H14), C2(H2)
;
_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
Cu1 Cu 0.63606(2) 0.34378(2) 0.23107(2) 0.01596(8) Uani 1 1 d . . . . .
Cl1 Cl 0.52622(2) 0.78252(4) 0.11534(2) 0.02030(11) Uani 1 1 d . . . . .
Cl2 Cl 0.70632(2) 0.00701(4) 0.49297(2) 0.02073(11) Uani 1 1 d . . . . .
O8 O 0.70757(6) -0.12547(15) 0.51534(9) 0.0338(4) Uani 1 1 d . . . . .
O5 O 0.68871(6) 0.01284(15) 0.41655(8) 0.0304(3) Uani 1 1 d . . . . .
O4 O 0.49048(6) 0.68307(16) 0.09655(9) 0.0352(4) Uani 1 1 d . . . . .
O3 O 0.57388(5) 0.72795(16) 0.11854(9) 0.0339(4) Uani 1 1 d . . . . .
O7 O 0.75446(6) 0.06014(16) 0.51043(9) 0.0358(4) Uani 1 1 d . . . . .
N7 N 0.56849(6) 0.42106(14) 0.20266(8) 0.0169(3) Uani 1 1 d . . . . .
O2 O 0.52276(7) 0.83186(15) 0.18468(8) 0.0353(4) Uani 1 1 d . . . . .
N6 N 0.64589(6) 0.51500(14) 0.29177(8) 0.0170(3) Uani 1 1 d . . . . .
O1 O 0.51784(7) 0.88318(16) 0.06367(9) 0.0385(4) Uani 1 1 d . . . . .
O6 O 0.67396(6) 0.07714(16) 0.52803(9) 0.0371(4) Uani 1 1 d . . . . .
N1 N 0.61149(6) 0.24639(15) 0.33203(9) 0.0224(3) Uani 1 1 d . . . . .
N5 N 0.70785(6) 0.30028(14) 0.26423(8) 0.0183(3) Uani 1 1 d . . . . .
N4 N 0.66987(6) 0.42255(15) 0.14304(8) 0.0196(3) Uani 1 1 d . . . . .
N3 N 0.58340(6) 0.30769(15) 0.07369(9) 0.0203(3) Uani 1 1 d . . . . .
N2 N 0.61541(6) 0.15959(14) 0.19896(9) 0.0214(3) Uani 1 1 d . . . . .
C19 C 0.56360(6) 0.53026(17) 0.23080(9) 0.0175(3) Uani 1 1 d . . . . .
H19 H 0.533804 0.575976 0.218555 0.021 Uiso 1 1 calc R . . . .
C20 C 0.60445(7) 0.58409(17) 0.28211(9) 0.0171(3) Uani 1 1 d . . . . .
C22 C 0.63923(7) 0.73770(18) 0.36995(10) 0.0222(4) Uani 1 1 d . . . . .
H22 H 0.637266 0.814000 0.396346 0.027 Uiso 1 1 calc R . . . .
C18 C 0.52729(7) 0.36943(18) 0.15063(10) 0.0214(4) Uani 1 1 d . . . . .
H18A H 0.497668 0.420173 0.151923 0.026 Uiso 1 1 calc R . . . .
H18B H 0.521135 0.279392 0.162775 0.026 Uiso 1 1 calc R . . . .
C24 C 0.68361(7) 0.55618(18) 0.34078(10) 0.0203(4) Uani 1 1 d . . . . .
H24 H 0.713095 0.508706 0.348200 0.024 Uiso 1 1 calc R . . . .
C5 C 0.58967(7) 0.13401(18) 0.30986(11) 0.0220(4) Uani 1 1 d . . . . .
C17 C 0.53872(7) 0.37531(19) 0.07602(10) 0.0218(4) Uani 1 1 d . . . . .
H17A H 0.511630 0.336367 0.041430 0.026 Uiso 1 1 calc R . . . .
H17B H 0.541825 0.466071 0.062304 0.026 Uiso 1 1 calc R . . . .
C21 C 0.59967(7) 0.69622(18) 0.31906(10) 0.0200(4) Uani 1 1 d . . . . .
H21 H 0.570131 0.743521 0.309859 0.024 Uiso 1 1 calc R . . . .
C12 C 0.73866(7) 0.35185(16) 0.22605(11) 0.0203(4) Uani 1 1 d . . . . .
C16 C 0.72654(7) 0.24464(18) 0.32684(11) 0.0235(4) Uani 1 1 d . . . . .
H16 H 0.705010 0.207186 0.353448 0.028 Uiso 1 1 calc R . . . .
C23 C 0.68131(8) 0.66585(18) 0.38128(11) 0.0227(4) Uani 1 1 d . . . . .
H23 H 0.708553 0.691071 0.416511 0.027 Uiso 1 1 calc R . . . .
C10 C 0.64569(7) 0.47396(18) 0.07418(10) 0.0231(4) Uani 1 1 d . . . . .
H10A H 0.670173 0.505290 0.047599 0.028 Uiso 1 1 calc R . . . .
H10B H 0.624462 0.546782 0.081084 0.028 Uiso 1 1 calc R . . . .
C8 C 0.58066(8) 0.16816(18) 0.07099(11) 0.0245(4) Uani 1 1 d . . . . .
H8A H 0.584960 0.138051 0.023703 0.029 Uiso 1 1 calc R . . . .
H8B H 0.548171 0.140107 0.077623 0.029 Uiso 1 1 calc R . . . .
C3 C 0.56107(7) 0.1072(2) 0.41788(12) 0.0277(4) Uani 1 1 d . . . . .
H3 H 0.543526 0.060253 0.446905 0.033 Uiso 1 1 calc R . . . .
C13 C 0.78852(8) 0.34943(19) 0.25029(12) 0.0261(4) Uani 1 1 d . . . . .
H13 H 0.809484 0.386345 0.222593 0.031 Uiso 1 1 calc R . . . .
C11 C 0.71574(7) 0.41096(18) 0.15739(10) 0.0223(4) Uani 1 1 d . . . . .
H11 H 0.734910 0.439515 0.124881 0.027 Uiso 1 1 calc R . . . .
C9 C 0.61535(8) 0.36677(19) 0.03248(10) 0.0236(4) Uani 1 1 d . . . . .
H9A H 0.595694 0.402498 -0.011946 0.028 Uiso 1 1 calc R . . . .
H9B H 0.637313 0.300761 0.019276 0.028 Uiso 1 1 calc R . . . .
C6 C 0.59566(7) 0.08927(18) 0.23935(11) 0.0238(4) Uani 1 1 d . . . . .
H6 H 0.584523 0.006020 0.223669 0.029 Uiso 1 1 calc R . . . .
C4 C 0.56385(7) 0.06286(19) 0.35079(12) 0.0262(4) Uani 1 1 d . . . . .
H4 H 0.548324 -0.014955 0.333115 0.031 Uiso 1 1 calc R . . . .
C7 C 0.61991(8) 0.10838(19) 0.12891(11) 0.0247(4) Uani 1 1 d . . . . .
H7A H 0.616135 0.013873 0.128490 0.030 Uiso 1 1 calc R . . . .
H7B H 0.652507 0.128750 0.119621 0.030 Uiso 1 1 calc R . . . .
C1 C 0.60856(8) 0.2876(2) 0.39701(11) 0.0260(4) Uani 1 1 d . . . . .
H1 H 0.623865 0.366378 0.413305 0.031 Uiso 1 1 calc R . . . .
C15 C 0.77601(7) 0.23988(18) 0.35401(11) 0.0268(4) Uani 1 1 d . . . . .
H15 H 0.788117 0.200738 0.398798 0.032 Uiso 1 1 calc R . . . .
C14 C 0.80770(7) 0.2928(2) 0.31526(12) 0.0296(5) Uani 1 1 d . . . . .
H14 H 0.841838 0.290292 0.332786 0.036 Uiso 1 1 calc R . . . .
C2 C 0.58413(7) 0.2205(2) 0.44204(11) 0.0282(4) Uani 1 1 d . . . . .
H2 H 0.583377 0.251956 0.488274 0.034 Uiso 1 1 calc R . . . .


_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
Cu1 N7 2.0315(16) . ?
Cu1 N6 2.1177(15) . ?
Cu1 N1 2.4075(16) . ?
Cu1 N5 2.0386(16) . ?
Cu1 N4 2.2524(16) . ?
Cu1 N2 2.0623(15) . ?
Cl1 O4 1.4368(16) . ?
Cl1 O3 1.4437(15) . ?
Cl1 O2 1.4477(16) . ?
Cl1 O1 1.4294(16) . ?
Cl2 O8 1.4435(16) . ?
Cl2 O5 1.4511(15) . ?
Cl2 O7 1.4362(16) . ?
Cl2 O6 1.4344(15) . ?
N7 C19 1.278(2) . ?
N7 C18 1.469(2) . ?
N6 C20 1.348(2) . ?
N6 C24 1.337(2) . ?
N1 C5 1.350(2) . ?
N1 C1 1.336(3) . ?
N5 C12 1.352(2) . ?
N5 C16 1.342(2) . ?
N4 C10 1.460(2) . ?
N4 C11 1.267(2) . ?
N3 C17 1.447(2) . ?
N3 C8 1.456(2) . ?
N3 C9 1.447(3) . ?
N2 C6 1.272(3) . ?
N2 C7 1.475(3) . ?
C19 C20 1.464(2) . ?
C20 C21 1.387(3) . ?
C22 C21 1.392(3) . ?
C22 C23 1.378(3) . ?
C18 C17 1.530(3) . ?
C24 C23 1.390(3) . ?
C5 C6 1.472(3) . ?
C5 C4 1.386(3) . ?
C12 C13 1.384(3) . ?
C12 C11 1.479(3) . ?
C16 C15 1.383(3) . ?
C10 C9 1.529(3) . ?
C8 C7 1.531(3) . ?
C3 C4 1.384(3) . ?
C3 C2 1.380(3) . ?
C13 C14 1.386(3) . ?
C1 C2 1.394(3) . ?
C15 C14 1.383(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
N7 Cu1 N6 79.92(6) . . ?
N7 Cu1 N1 88.83(6) . . ?
N7 Cu1 N5 169.38(6) . . ?
N7 Cu1 N4 99.57(6) . . ?
N7 Cu1 N2 95.60(6) . . ?
N6 Cu1 N1 86.51(6) . . ?
N6 Cu1 N4 94.45(6) . . ?
N5 Cu1 N6 90.26(6) . . ?
N5 Cu1 N1 94.63(6) . . ?
N5 Cu1 N4 77.02(6) . . ?
N5 Cu1 N2 95.00(6) . . ?
N4 Cu1 N1 171.59(6) . . ?
N2 Cu1 N6 161.01(6) . . ?
N2 Cu1 N1 74.90(6) . . ?
N2 Cu1 N4 104.51(6) . . ?
O4 Cl1 O3 108.73(11) . . ?
O4 Cl1 O2 108.29(10) . . ?
O3 Cl1 O2 109.50(10) . . ?
O1 Cl1 O4 110.24(11) . . ?
O1 Cl1 O3 109.88(10) . . ?
O1 Cl1 O2 110.17(10) . . ?
O8 Cl2 O5 108.87(10) . . ?
O7 Cl2 O8 109.49(10) . . ?
O7 Cl2 O5 109.43(10) . . ?
O6 Cl2 O8 109.10(10) . . ?
O6 Cl2 O5 109.48(10) . . ?
O6 Cl2 O7 110.44(10) . . ?
C19 N7 Cu1 114.40(13) . . ?
C19 N7 C18 118.43(16) . . ?
C18 N7 Cu1 127.01(12) . . ?
C20 N6 Cu1 111.14(12) . . ?
C24 N6 Cu1 130.83(13) . . ?
C24 N6 C20 117.67(16) . . ?
C5 N1 Cu1 107.29(13) . . ?
C1 N1 Cu1 134.17(14) . . ?
C1 N1 C5 117.59(17) . . ?
C12 N5 Cu1 116.28(13) . . ?
C16 N5 Cu1 123.99(13) . . ?
C16 N5 C12 118.64(17) . . ?
C10 N4 Cu1 128.52(12) . . ?
C11 N4 Cu1 111.45(13) . . ?
C11 N4 C10 119.89(17) . . ?
C17 N3 C8 116.56(16) . . ?
C17 N3 C9 116.52(16) . . ?
C9 N3 C8 116.06(16) . . ?
C6 N2 Cu1 118.98(14) . . ?
C6 N2 C7 118.35(17) . . ?
C7 N2 Cu1 122.56(13) . . ?
N7 C19 C20 119.25(17) . . ?
N6 C20 C19 115.16(15) . . ?
N6 C20 C21 123.30(17) . . ?
C21 C20 C19 121.52(17) . . ?
C23 C22 C21 118.66(17) . . ?
N7 C18 C17 109.66(15) . . ?
N6 C24 C23 122.49(18) . . ?
N1 C5 C6 115.83(17) . . ?
N1 C5 C4 122.8(2) . . ?
C4 C5 C6 121.40(18) . . ?
N3 C17 C18 110.85(16) . . ?
C20 C21 C22 118.32(18) . . ?
N5 C12 C13 121.66(19) . . ?
N5 C12 C11 115.91(17) . . ?
C13 C12 C11 122.42(19) . . ?
N5 C16 C15 122.34(19) . . ?
C22 C23 C24 119.52(18) . . ?
N4 C10 C9 108.30(15) . . ?
N3 C8 C7 110.80(16) . . ?
C2 C3 C4 119.15(19) . . ?
C12 C13 C14 119.6(2) . . ?
N4 C11 C12 118.29(17) . . ?
N3 C9 C10 111.47(16) . . ?
N2 C6 C5 121.47(18) . . ?
C3 C4 C5 118.84(19) . . ?
N2 C7 C8 109.47(16) . . ?
N1 C1 C2 123.2(2) . . ?
C16 C15 C14 119.27(19) . . ?
C15 C14 C13 118.53(19) . . ?
C3 C2 C1 118.4(2) . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.784
_oxdiff_exptl_absorpt_empirical_full_min 0.514
