# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_mo_dd22001_0m
_database_code_depnum_ccdc_archive 'CCDC 2300784'
loop_
_audit_author_name
_audit_author_address
trhtrhj
;wenzhou university
China
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-12-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H13 N3 Se'
_chemical_formula_weight         278.21

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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   10.093(3)
_cell_length_b                   11.029(2)
_cell_length_c                   12.285(3)
_cell_angle_alpha                102.228(7)
_cell_angle_beta                 113.956(7)
_cell_angle_gamma                91.965(7)
_cell_volume                     1210.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9902
_cell_measurement_theta_min      4.445
_cell_measurement_theta_max      54.504

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             560
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    3.079
_shelx_estimated_absorpt_T_min   0.639
_shelx_estimated_absorpt_T_max   0.837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5217
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27602
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.731
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4740
_reflns_number_gt                3735
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0293P)²+0.4420P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4740
_refine_ls_number_parameters     309
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0267
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0626
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001

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
Se1 Se 0.71422(3) 0.48545(2) 0.81786(2) 0.06063(9) Uani 1 1 d . . . . .
Se2 Se 0.30676(3) 0.99373(2) 0.22239(2) 0.06166(10) Uani 1 1 d . . . . .
N1 N 0.6491(2) 0.6568(2) 0.6307(2) 0.0553(5) Uani 1 1 d . . . . .
N2 N 0.40002(19) 0.63056(16) 0.55455(16) 0.0473(4) Uani 1 1 d . . . . .
N3 N 0.2712(2) 0.50392(18) 0.62496(18) 0.0537(5) Uani 1 1 d . . . . .
N4 N 0.3759(2) 0.8088(2) 0.3939(2) 0.0581(5) Uani 1 1 d . . . . .
N5 N 0.62525(19) 0.83673(16) 0.46963(16) 0.0471(4) Uani 1 1 d . . . . .
N6 N 0.7516(2) 0.97137(17) 0.40400(18) 0.0539(5) Uani 1 1 d . . . . .
C1 C 0.5281(2) 0.60394(18) 0.63138(19) 0.0445(5) Uani 1 1 d . . . . .
C2 C 0.5318(2) 0.52586(19) 0.71041(19) 0.0460(5) Uani 1 1 d . . . . .
C3 C 0.3995(3) 0.4784(2) 0.7039(2) 0.0499(5) Uani 1 1 d . . . . .
C4 C 0.3874(3) 0.3973(2) 0.7847(3) 0.0683(7) Uani 1 1 d . . . . .
H4A H 0.2862 0.3749 0.7652 0.102 Uiso 1 1 calc R U . . .
H4B H 0.4376 0.4425 0.8693 0.102 Uiso 1 1 calc R U . . .
H4C H 0.4309 0.3228 0.7711 0.102 Uiso 1 1 calc R U . . .
C5 C 0.2787(2) 0.5785(2) 0.5543(2) 0.0506(5) Uani 1 1 d . . . . .
C6 C 0.1375(3) 0.6079(3) 0.4663(3) 0.0768(8) Uani 1 1 d . . . . .
H6A H 0.1422 0.6969 0.4756 0.115 Uiso 1 1 calc R U . . .
H6B H 0.0588 0.5785 0.4830 0.115 Uiso 1 1 calc R U . . .
H6C H 0.1209 0.5675 0.3837 0.115 Uiso 1 1 calc R U . . .
C7 C 0.7714(2) 0.6276(2) 0.9568(2) 0.0502(5) Uani 1 1 d . . . . .
C8 C 0.8827(3) 0.6181(3) 1.0655(2) 0.0676(7) Uani 1 1 d . . . . .
H8 H 0.9254 0.5449 1.0699 0.081 Uiso 1 1 calc R U . . .
C9 C 0.9304(3) 0.7181(4) 1.1676(3) 0.0846(9) Uani 1 1 d . . . . .
H9 H 1.0064 0.7121 1.2404 0.101 Uiso 1 1 calc R U . . .
C10 C 0.8666(3) 0.8264(3) 1.1628(3) 0.0809(9) Uani 1 1 d . . . . .
H10 H 0.8977 0.8926 1.2324 0.097 Uiso 1 1 calc R U . . .
C11 C 0.7574(3) 0.8356(3) 1.0548(3) 0.0724(7) Uani 1 1 d . . . . .
H11 H 0.7149 0.9090 1.0506 0.087 Uiso 1 1 calc R U . . .
C12 C 0.7097(3) 0.7372(2) 0.9521(2) 0.0601(6) Uani 1 1 d . . . . .
H12 H 0.6354 0.7446 0.8789 0.072 Uiso 1 1 calc R U . . .
C13 C 0.4961(2) 0.86505(19) 0.39509(18) 0.0441(5) Uani 1 1 d . . . . .
C14 C 0.4911(2) 0.94935(19) 0.32132(19) 0.0468(5) Uani 1 1 d . . . . .
C15 C 0.6226(3) 0.99995(19) 0.3298(2) 0.0502(5) Uani 1 1 d . . . . .
C16 C 0.6329(3) 1.0899(2) 0.2555(3) 0.0699(7) Uani 1 1 d . . . . .
H16A H 0.5954 1.1651 0.2786 0.105 Uiso 1 1 calc R U . . .
H16B H 0.5766 1.0519 0.1696 0.105 Uiso 1 1 calc R U . . .
H16C H 0.7333 1.1099 0.2712 0.105 Uiso 1 1 calc R U . . .
C17 C 0.7457(2) 0.8910(2) 0.4701(2) 0.0491(5) Uani 1 1 d . . . . .
C18 C 0.8877(3) 0.8561(3) 0.5512(3) 0.0722(7) Uani 1 1 d . . . . .
H18A H 0.9020 0.8819 0.6353 0.108 Uiso 1 1 calc R U . . .
H18B H 0.9664 0.8970 0.5415 0.108 Uiso 1 1 calc R U . . .
H18C H 0.8860 0.7670 0.5287 0.108 Uiso 1 1 calc R U . . .
C19 C 0.2528(3) 0.8679(2) 0.0711(2) 0.0510(5) Uani 1 1 d . . . . .
C20 C 0.1064(3) 0.8430(3) -0.0083(3) 0.0776(8) Uani 1 1 d . . . . .
H20 H 0.0379 0.8829 0.0134 0.093 Uiso 1 1 calc R U . . .
C21 C 0.0627(4) 0.7576(4) -0.1213(3) 0.1003(12) Uani 1 1 d . . . . .
H21 H -0.0356 0.7415 -0.1760 0.120 Uiso 1 1 calc R U . . .
C22 C 0.1630(4) 0.6965(3) -0.1532(3) 0.0904(10) Uani 1 1 d . . . . .
H22 H 0.1326 0.6387 -0.2286 0.108 Uiso 1 1 calc R U . . .
C23 C 0.3067(4) 0.7213(3) -0.0737(3) 0.0753(8) Uani 1 1 d . . . . .
H23 H 0.3748 0.6802 -0.0950 0.090 Uiso 1 1 calc R U . . .
C24 C 0.3525(3) 0.8067(2) 0.0381(2) 0.0600(6) Uani 1 1 d . . . . .
H24 H 0.4514 0.8232 0.0916 0.072 Uiso 1 1 calc R U . . .
H1A H 0.725(3) 0.641(2) 0.673(2) 0.049(7) Uiso 1 1 d . . . . .
H1B H 0.641(3) 0.707(2) 0.583(2) 0.062(8) Uiso 1 1 d . . . . .
H4D H 0.298(3) 0.825(2) 0.350(2) 0.058(8) Uiso 1 1 d . . . . .
H4E H 0.384(3) 0.761(2) 0.439(2) 0.055(8) Uiso 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

Se1 C2 1.914(2) . ?
Se1 C7 1.927(2) . ?
Se2 C14 1.912(2) . ?
Se2 C19 1.926(2) . ?
N1 C1 1.340(3) . ?
N1 H1A 0.78(2) . ?
N1 H1B 0.87(3) . ?
N2 C5 1.333(3) . ?
N2 C1 1.342(3) . ?
N3 C5 1.337(3) . ?
N3 C3 1.348(3) . ?
N4 C13 1.337(3) . ?
N4 H4D 0.80(3) . ?
N4 H4E 0.82(3) . ?
N5 C17 1.334(3) . ?
N5 C13 1.347(3) . ?
N6 C17 1.338(3) . ?
N6 C15 1.346(3) . ?
C1 C2 1.419(3) . ?
C2 C3 1.382(3) . ?
C3 C4 1.506(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.495(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C12 1.379(3) . ?
C7 C8 1.380(3) . ?
C8 C9 1.381(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.365(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.418(3) . ?
C14 C15 1.377(3) . ?
C15 C16 1.510(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.495(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C24 1.377(3) . ?
C19 C20 1.377(3) . ?
C20 C21 1.389(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.373(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.357(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(3) . ?
C23 H23 0.9300 . ?
C24 H24 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
C2 Se1 C7 100.37(9) . . ?
C14 Se2 C19 100.59(9) . . ?
C1 N1 H1A 119.0(18) . . ?
C1 N1 H1B 119.2(17) . . ?
H1A N1 H1B 122(3) . . ?
C5 N2 C1 117.24(19) . . ?
C5 N3 C3 116.51(19) . . ?
C13 N4 H4D 118.3(19) . . ?
C13 N4 H4E 119.3(18) . . ?
H4D N4 H4E 122(3) . . ?
C17 N5 C13 117.12(19) . . ?
C17 N5 H1B 120.4(7) . . ?
C13 N5 H1B 122.5(7) . . ?
C17 N6 C15 116.40(19) . . ?
N1 C1 N2 116.6(2) . . ?
N1 C1 C2 122.9(2) . . ?
N2 C1 C2 120.45(19) . . ?
C3 C2 C1 117.5(2) . . ?
C3 C2 Se1 122.08(17) . . ?
C1 C2 Se1 120.44(16) . . ?
N3 C3 C2 121.7(2) . . ?
N3 C3 C4 115.2(2) . . ?
C2 C3 C4 123.1(2) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 N3 126.6(2) . . ?
N2 C5 C6 116.1(2) . . ?
N3 C5 C6 117.3(2) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C8 119.3(2) . . ?
C12 C7 Se1 123.67(17) . . ?
C8 C7 Se1 117.01(19) . . ?
C7 C8 C9 119.6(3) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 119.3(3) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 120.5(2) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
N4 C13 N5 116.7(2) . . ?
N4 C13 C14 122.8(2) . . ?
N5 C13 C14 120.50(19) . . ?
C15 C14 C13 117.2(2) . . ?
C15 C14 Se2 123.22(17) . . ?
C13 C14 Se2 119.46(16) . . ?
N6 C15 C14 122.2(2) . . ?
N6 C15 C16 115.1(2) . . ?
C14 C15 C16 122.7(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C17 N6 126.5(2) . . ?
N5 C17 C18 116.3(2) . . ?
N6 C17 C18 117.1(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 119.6(2) . . ?
C24 C19 Se2 123.46(18) . . ?
C20 C19 Se2 116.8(2) . . ?
C19 C20 C21 119.1(3) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 120.8(3) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C23 C22 C21 119.5(3) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.3(3) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?

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
C5 N2 C1 N1 179.97(19) . . . . ?
C5 N2 C1 C2 -1.5(3) . . . . ?
N1 C1 C2 C3 179.0(2) . . . . ?
N2 C1 C2 C3 0.6(3) . . . . ?
N1 C1 C2 Se1 -2.7(3) . . . . ?
N2 C1 C2 Se1 178.86(15) . . . . ?
C5 N3 C3 C2 -0.6(3) . . . . ?
C5 N3 C3 C4 178.3(2) . . . . ?
C1 C2 C3 N3 0.6(3) . . . . ?
Se1 C2 C3 N3 -177.71(16) . . . . ?
C1 C2 C3 C4 -178.3(2) . . . . ?
Se1 C2 C3 C4 3.4(3) . . . . ?
C1 N2 C5 N3 1.5(3) . . . . ?
C1 N2 C5 C6 -179.0(2) . . . . ?
C3 N3 C5 N2 -0.4(3) . . . . ?
C3 N3 C5 C6 -179.9(2) . . . . ?
C12 C7 C8 C9 0.1(4) . . . . ?
Se1 C7 C8 C9 178.7(2) . . . . ?
C7 C8 C9 C10 1.0(4) . . . . ?
C8 C9 C10 C11 -1.5(5) . . . . ?
C9 C10 C11 C12 0.9(5) . . . . ?
C10 C11 C12 C7 0.2(4) . . . . ?
C8 C7 C12 C11 -0.7(4) . . . . ?
Se1 C7 C12 C11 -179.2(2) . . . . ?
C17 N5 C13 N4 179.1(2) . . . . ?
H1B N5 C13 N4 0.1(8) . . . . ?
C17 N5 C13 C14 -0.1(3) . . . . ?
H1B N5 C13 C14 -179.1(8) . . . . ?
N4 C13 C14 C15 -179.2(2) . . . . ?
N5 C13 C14 C15 -0.1(3) . . . . ?
N4 C13 C14 Se2 3.8(3) . . . . ?
N5 C13 C14 Se2 -177.06(15) . . . . ?
C17 N6 C15 C14 -0.2(3) . . . . ?
C17 N6 C15 C16 -179.43(19) . . . . ?
C13 C14 C15 N6 0.3(3) . . . . ?
Se2 C14 C15 N6 177.11(16) . . . . ?
C13 C14 C15 C16 179.4(2) . . . . ?
Se2 C14 C15 C16 -3.7(3) . . . . ?
C13 N5 C17 N6 0.2(3) . . . . ?
H1B N5 C17 N6 179.2(8) . . . . ?
C13 N5 C17 C18 -178.6(2) . . . . ?
H1B N5 C17 C18 0.4(8) . . . . ?
C15 N6 C17 N5 0.0(3) . . . . ?
C15 N6 C17 C18 178.8(2) . . . . ?
C24 C19 C20 C21 -0.9(4) . . . . ?
Se2 C19 C20 C21 176.9(2) . . . . ?
C19 C20 C21 C22 1.2(5) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
C21 C22 C23 C24 0.0(5) . . . . ?
C22 C23 C24 C19 0.3(4) . . . . ?
C20 C19 C24 C23 0.2(4) . . . . ?
Se2 C19 C24 C23 -177.45(19) . . . . ?

_refine_diff_density_max         0.287
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.039

_shelxl_version_number           2013-4



