# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2210581'
loop_
_audit_author_name
_audit_author_address
'Hao Yang'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2022-10-01 deposited with the CCDC.	2023-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H36 Cl5 N2 Sb'
_chemical_formula_weight         651.55

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.916(3)
_cell_length_b                   8.620(2)
_cell_length_c                   26.092(6)
_cell_angle_alpha                90
_cell_angle_beta                 102.084(6)
_cell_angle_gamma                90
_cell_volume                     3060.5(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9883
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      24.66

_exptl_crystal_description       Block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_F_000             1320
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.352
_shelx_estimated_absorpt_T_min   0.774
_shelx_estimated_absorpt_T_max   0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45617
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.494
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_full        24.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             5358
_reflns_number_gt                3875
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0764P)²+4.6616P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5358
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1531
_refine_ls_wR_factor_gt          0.1372
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000

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
C1 C 0.5275(5) 0.3991(8) 0.2930(3) 0.0633(18) Uani 1 1 d . . . . .
C2 C 0.6264(6) 0.4016(10) 0.2969(3) 0.082(2) Uani 1 1 d . . . . .
H2 H 0.6498 0.4256 0.2670 0.098 Uiso 1 1 calc R U . . .
C3 C 0.6931(5) 0.3711(10) 0.3418(3) 0.079(2) Uani 1 1 d . . . . .
C4 C 0.6573(5) 0.3329(9) 0.3864(3) 0.0685(19) Uani 1 1 d . . . . .
H4 H 0.7016 0.3095 0.4174 0.082 Uiso 1 1 calc R U . . .
C5 C 0.5573(4) 0.3290(8) 0.3855(2) 0.0527(15) Uani 1 1 d . . . . .
C6 C 0.4948(4) 0.3636(7) 0.3385(2) 0.0487(14) Uani 1 1 d . . . . .
C7 C 0.4549(6) 0.4320(11) 0.2418(3) 0.094(3) Uani 1 1 d . . . . .
H7A H 0.4757 0.5224 0.2255 0.141 Uiso 1 1 calc R U . . .
H7B H 0.3908 0.4497 0.2489 0.141 Uiso 1 1 calc R U . . .
H7C H 0.4525 0.3447 0.2187 0.141 Uiso 1 1 calc R U . . .
C8 C 0.8032(5) 0.3710(15) 0.3445(4) 0.127(4) Uani 1 1 d . . . . .
H8A H 0.8173 0.3124 0.3157 0.191 Uiso 1 1 calc R U . . .
H8B H 0.8362 0.3250 0.3769 0.191 Uiso 1 1 calc R U . . .
H8C H 0.8257 0.4758 0.3426 0.191 Uiso 1 1 calc R U . . .
C9 C 0.5200(5) 0.2869(10) 0.4339(3) 0.077(2) Uani 1 1 d . . . . .
H9A H 0.4776 0.3677 0.4415 0.115 Uiso 1 1 calc R U . . .
H9B H 0.5746 0.2750 0.4630 0.115 Uiso 1 1 calc R U . . .
H9C H 0.4841 0.1912 0.4281 0.115 Uiso 1 1 calc R U . . .
C10 C 0.3721(5) 0.0925(8) 0.3148(3) 0.072(2) Uani 1 1 d . . . . .
H10A H 0.3452 0.0652 0.2790 0.108 Uiso 1 1 calc R U . . .
H10B H 0.3536 0.0156 0.3375 0.108 Uiso 1 1 calc R U . . .
H10C H 0.4424 0.0972 0.3202 0.108 Uiso 1 1 calc R U . . .
C11 C 0.3335(5) 0.2459(7) 0.3264(2) 0.0516(16) Uani 1 1 d . . . . .
C12 C 0.2264(5) 0.2631(8) 0.3250(3) 0.069(2) Uani 1 1 d . . . . .
H12A H 0.2074 0.1919 0.3494 0.103 Uiso 1 1 calc R U . . .
H12B H 0.1899 0.2409 0.2903 0.103 Uiso 1 1 calc R U . . .
H12C H 0.2130 0.3673 0.3343 0.103 Uiso 1 1 calc R U . . .
C13 C 0.2823(4) 0.1511(7) 0.5820(2) 0.0499(15) Uani 1 1 d . . . . .
C14 C 0.3793(4) 0.2001(7) 0.5901(2) 0.0495(15) Uani 1 1 d . . . . .
C15 C 0.4329(5) 0.1968(9) 0.6417(3) 0.0618(18) Uani 1 1 d . . . . .
H15 H 0.4978 0.2309 0.6488 0.074 Uiso 1 1 calc R U . . .
C16 C 0.3930(5) 0.1449(9) 0.6823(3) 0.0676(19) Uani 1 1 d . . . . .
C17 C 0.2969(5) 0.0986(10) 0.6715(3) 0.077(2) Uani 1 1 d . . . . .
H17 H 0.2696 0.0656 0.6993 0.093 Uiso 1 1 calc R U . . .
C18 C 0.2375(5) 0.0981(8) 0.6215(3) 0.0637(18) Uani 1 1 d . . . . .
C19 C 0.4244(5) 0.2570(8) 0.5465(3) 0.071(2) Uani 1 1 d . . . . .
H19A H 0.4248 0.1748 0.5217 0.106 Uiso 1 1 calc R U . . .
H19B H 0.4906 0.2901 0.5604 0.106 Uiso 1 1 calc R U . . .
H19C H 0.3869 0.3427 0.5293 0.106 Uiso 1 1 calc R U . . .
C20 C 0.4550(6) 0.1427(13) 0.7384(3) 0.102(3) Uani 1 1 d . . . . .
H20A H 0.5235 0.1450 0.7372 0.152 Uiso 1 1 calc R U . . .
H20B H 0.4411 0.0499 0.7558 0.152 Uiso 1 1 calc R U . . .
H20C H 0.4393 0.2317 0.7571 0.152 Uiso 1 1 calc R U . . .
C21 C 0.1317(5) 0.0467(11) 0.6113(3) 0.092(3) Uani 1 1 d . . . . .
H21A H 0.0896 0.1361 0.6055 0.138 Uiso 1 1 calc R U . . .
H21B H 0.1199 -0.0101 0.6410 0.138 Uiso 1 1 calc R U . . .
H21C H 0.1181 -0.0185 0.5808 0.138 Uiso 1 1 calc R U . . .
C22 C 0.1588(4) 0.2484(7) 0.5077(3) 0.0490(15) Uani 1 1 d . . . . .
C23 C 0.1362(5) 0.3830(8) 0.5375(3) 0.0685(19) Uani 1 1 d . . . . .
H23A H 0.0732 0.3688 0.5463 0.103 Uiso 1 1 calc R U . . .
H23B H 0.1352 0.4751 0.5167 0.103 Uiso 1 1 calc R U . . .
H23C H 0.1856 0.3931 0.5691 0.103 Uiso 1 1 calc R U . . .
C24 C 0.1033(5) 0.2257(8) 0.4526(3) 0.071(2) Uani 1 1 d . . . . .
H24A H 0.1324 0.1424 0.4367 0.107 Uiso 1 1 calc R U . . .
H24B H 0.1057 0.3193 0.4330 0.107 Uiso 1 1 calc R U . . .
H24C H 0.0361 0.2007 0.4528 0.107 Uiso 1 1 calc R U . . .
Cl1 Cl 0.32435(12) 0.9596(2) 0.44377(7) 0.0667(5) Uani 1 1 d . . . . .
Cl2 Cl 0.28158(12) 0.69301(19) 0.31944(6) 0.0579(4) Uani 1 1 d . . . . .
Cl3 Cl 0.28685(11) 0.55127(19) 0.44417(6) 0.0563(4) Uani 1 1 d . . . . .
Cl4 Cl 0.05097(11) 0.5646(2) 0.36533(7) 0.0679(5) Uani 1 1 d . . . . .
Cl5 Cl 0.11727(12) 0.7956(2) 0.48184(7) 0.0626(5) Uani 1 1 d . . . . .
N1 N 0.3893(3) 0.3627(6) 0.33597(18) 0.0515(12) Uani 1 1 d . . . . .
H1 H 0.3626 0.4493 0.3415 0.062 Uiso 1 1 calc R U . . .
N2 N 0.2253(4) 0.1505(6) 0.52807(19) 0.0533(13) Uani 1 1 d . . . . .
H2A H 0.2377 0.0771 0.5081 0.064 Uiso 1 1 calc R U . . .
Sb1 Sb 0.18718(3) 0.75540(4) 0.40053(2) 0.04261(18) 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
C1 C2 1.358(9) . ?
C1 C6 1.390(8) . ?
C1 C7 1.524(10) . ?
C2 C3 1.358(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.398(10) . ?
C3 C8 1.519(9) . ?
C4 C5 1.387(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(8) . ?
C5 C9 1.508(9) . ?
C6 N1 1.455(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.483(9) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 N1 1.264(7) . ?
C11 C12 1.490(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.388(8) . ?
C13 C18 1.389(8) . ?
C13 N2 1.463(7) . ?
C14 C15 1.397(8) . ?
C14 C19 1.493(9) . ?
C15 C16 1.370(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.367(10) . ?
C16 C20 1.535(9) . ?
C17 C18 1.392(9) . ?
C17 H17 0.9300 . ?
C18 C21 1.508(9) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N2 1.283(7) . ?
C22 C23 1.468(9) . ?
C22 C24 1.494(9) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
Cl1 Sb1 2.6669(17) . ?
Cl2 Sb1 2.7668(16) . ?
Cl3 Sb1 2.3780(16) . ?
Cl4 Sb1 2.5324(16) . ?
Cl5 Sb1 2.5360(17) . ?
N1 H1 0.8600 . ?
N2 H2A 0.8600 . ?

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
C2 C1 C6 116.6(6) . . ?
C2 C1 C7 122.5(6) . . ?
C6 C1 C7 120.9(6) . . ?
C3 C2 C1 124.1(7) . . ?
C3 C2 H2 117.9 . . ?
C1 C2 H2 117.9 . . ?
C2 C3 C4 117.7(6) . . ?
C2 C3 C8 122.8(8) . . ?
C4 C3 C8 119.5(8) . . ?
C5 C4 C3 121.5(7) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C6 C5 C4 117.0(6) . . ?
C6 C5 C9 122.2(5) . . ?
C4 C5 C9 120.8(6) . . ?
C5 C6 C1 123.2(5) . . ?
C5 C6 N1 118.8(5) . . ?
C1 C6 N1 118.1(5) . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C10 121.1(6) . . ?
N1 C11 C12 119.7(6) . . ?
C10 C11 C12 119.1(6) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 124.1(6) . . ?
C14 C13 N2 117.5(5) . . ?
C18 C13 N2 118.4(5) . . ?
C13 C14 C15 116.5(6) . . ?
C13 C14 C19 122.3(6) . . ?
C15 C14 C19 121.1(6) . . ?
C16 C15 C14 122.1(6) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C17 C16 C15 118.3(6) . . ?
C17 C16 C20 121.5(7) . . ?
C15 C16 C20 120.1(7) . . ?
C16 C17 C18 123.8(6) . . ?
C16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C13 C18 C17 115.2(6) . . ?
C13 C18 C21 122.6(6) . . ?
C17 C18 C21 122.2(6) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 C23 121.0(6) . . ?
N2 C22 C24 119.7(6) . . ?
C23 C22 C24 119.3(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C11 N1 C6 125.9(5) . . ?
C11 N1 H1 117.1 . . ?
C6 N1 H1 117.1 . . ?
C22 N2 C13 126.5(5) . . ?
C22 N2 H2A 116.7 . . ?
C13 N2 H2A 116.7 . . ?
Cl3 Sb1 Cl4 90.59(6) . . ?
Cl3 Sb1 Cl5 89.31(6) . . ?
Cl4 Sb1 Cl5 90.18(6) . . ?
Cl3 Sb1 Cl1 89.52(6) . . ?
Cl4 Sb1 Cl1 175.70(6) . . ?
Cl5 Sb1 Cl1 85.53(6) . . ?
Cl3 Sb1 Cl2 84.24(5) . . ?
Cl4 Sb1 Cl2 92.03(6) . . ?
Cl5 Sb1 Cl2 173.20(5) . . ?
Cl1 Sb1 Cl2 92.25(5) . . ?

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
C6 C1 C2 C3 0.3(12) . . . . ?
C7 C1 C2 C3 -179.2(8) . . . . ?
C1 C2 C3 C4 0.9(13) . . . . ?
C1 C2 C3 C8 178.5(9) . . . . ?
C2 C3 C4 C5 -1.3(12) . . . . ?
C8 C3 C4 C5 -178.9(8) . . . . ?
C3 C4 C5 C6 0.4(11) . . . . ?
C3 C4 C5 C9 179.7(7) . . . . ?
C4 C5 C6 C1 0.9(10) . . . . ?
C9 C5 C6 C1 -178.4(7) . . . . ?
C4 C5 C6 N1 -179.3(6) . . . . ?
C9 C5 C6 N1 1.4(9) . . . . ?
C2 C1 C6 C5 -1.3(10) . . . . ?
C7 C1 C6 C5 178.3(7) . . . . ?
C2 C1 C6 N1 178.9(6) . . . . ?
C7 C1 C6 N1 -1.5(10) . . . . ?
C18 C13 C14 C15 -1.1(10) . . . . ?
N2 C13 C14 C15 -178.7(6) . . . . ?
C18 C13 C14 C19 -179.7(6) . . . . ?
N2 C13 C14 C19 2.6(9) . . . . ?
C13 C14 C15 C16 1.4(10) . . . . ?
C19 C14 C15 C16 -179.9(7) . . . . ?
C14 C15 C16 C17 -1.5(11) . . . . ?
C14 C15 C16 C20 179.7(7) . . . . ?
C15 C16 C17 C18 1.4(12) . . . . ?
C20 C16 C17 C18 -179.9(8) . . . . ?
C14 C13 C18 C17 0.9(10) . . . . ?
N2 C13 C18 C17 178.5(6) . . . . ?
C14 C13 C18 C21 179.6(7) . . . . ?
N2 C13 C18 C21 -2.7(10) . . . . ?
C16 C17 C18 C13 -1.0(12) . . . . ?
C16 C17 C18 C21 -179.8(8) . . . . ?
C10 C11 N1 C6 -1.9(10) . . . . ?
C12 C11 N1 C6 -179.8(6) . . . . ?
C5 C6 N1 C11 -87.5(8) . . . . ?
C1 C6 N1 C11 92.3(8) . . . . ?
C23 C22 N2 C13 3.6(9) . . . . ?
C24 C22 N2 C13 -176.5(6) . . . . ?
C14 C13 N2 C22 -104.9(7) . . . . ?
C18 C13 N2 C22 77.3(8) . . . . ?

_refine_diff_density_max         1.284
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.092



