# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_b141217b_0m
_database_code_depnum_ccdc_archive 'CCDC 1415038'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2015-08-07 downloaded from the CCDC.
;
_audit_creation_date             2014-12-30
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C22 H26 N8 Se'
_chemical_formula_sum            'C22 H26 N8 Se'
_chemical_formula_weight         481.47
_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'
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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   8.7524(5)
_cell_length_b                   8.7836(5)
_cell_length_c                   14.9820(8)
_cell_angle_alpha                98.910(2)
_cell_angle_beta                 98.117(2)
_cell_angle_gamma                92.599(2)
_cell_volume                     1123.82(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9805
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.35
_exptl_absorpt_coefficient_mu    1.697
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs

_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            49617
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.35
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mok\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                3999
_reflns_number_total             5165
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX-II'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.456
_refine_diff_density_min         -1.287
_refine_diff_density_rms         0.220
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.795
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5165
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0603
_refine_ls_restrained_S_all      0.800
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1626P)²+2.7429P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.2001
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.39368(4) 1.11582(5) 0.09994(3) 0.0458(2) Uani 1 1 d . . .
N1 N 0.2248(4) 1.1089(4) 0.1533(2) 0.0412(8) Uani 1 1 d . . .
N2 N 0.3416(4) 0.9365(4) 0.0249(2) 0.0356(7) Uani 1 1 d . . .
N3 N -0.0554(5) 1.1688(5) 0.3619(3) 0.0562(10) Uani 1 1 d . . .
N4 N -0.3007(4) 1.1246(6) 0.2667(3) 0.0537(10) Uani 1 1 d . . .
N5 N -0.2780(6) 1.2494(7) 0.4160(3) 0.0704(14) Uani 1 1 d . . .
N6 N 0.3991(4) 0.4942(5) -0.1170(3) 0.0497(9) Uani 1 1 d . . .
N7 N 0.1715(5) 0.4951(5) -0.2260(3) 0.0565(10) Uani 1 1 d . . .
N8 N 0.3824(6) 0.3607(7) -0.2628(3) 0.0839(17) Uani 1 1 d D . .
C1 C 0.1408(4) 0.9804(4) 0.1138(3) 0.0327(7) Uani 1 1 d . . .
C2 C 0.2060(4) 0.8848(4) 0.0426(3) 0.0313(7) Uani 1 1 d . . .
C3 C 0.1220(4) 0.7459(4) -0.0073(3) 0.0334(8) Uani 1 1 d . . .
C4 C -0.0210(5) 0.7134(5) 0.0144(3) 0.0417(9) Uani 1 1 d . . .
H4 H -0.0798 0.6263 -0.0181 0.050 Uiso 1 1 calc R . .
C5 C -0.0839(5) 0.8071(5) 0.0846(3) 0.0400(9) Uani 1 1 d . . .
H5 H -0.1821 0.7784 0.0959 0.048 Uiso 1 1 calc R . .
C6 C -0.0073(4) 0.9369(5) 0.1361(3) 0.0356(8) Uani 1 1 d . . .
C7 C -0.0753(5) 1.0281(5) 0.2099(3) 0.0382(8) Uani 1 1 d . . .
C8 C -0.2311(5) 1.0512(6) 0.2015(3) 0.0463(10) Uani 1 1 d . . .
H8 H -0.2918 1.0123 0.1458 0.056 Uiso 1 1 calc R . .
C9 C 0.0078(5) 1.0966(6) 0.2938(3) 0.0495(10) Uani 1 1 d . . .
H9 H 0.1146 1.0910 0.3023 0.059 Uiso 1 1 calc R . .
C10 C -0.2085(6) 1.1796(6) 0.3460(3) 0.0516(11) Uani 1 1 d . . .
C11 C -0.1919(9) 1.3046(11) 0.5056(4) 0.097(3) Uani 1 1 d . . .
H11A H -0.0891 1.3417 0.4981 0.116 Uiso 1 1 calc R . .
H11B H -0.2416 1.3924 0.5335 0.116 Uiso 1 1 calc R . .
C12 C -0.1761(13) 1.1971(15) 0.5670(6) 0.128(4) Uani 1 1 d . . .
H12A H -0.1243 1.1105 0.5414 0.192 Uiso 1 1 calc R . .
H12B H -0.2766 1.1623 0.5774 0.192 Uiso 1 1 calc R . .
H12C H -0.1166 1.2457 0.6239 0.192 Uiso 1 1 calc R . .
C13 C -0.4386(9) 1.2857(10) 0.4006(5) 0.091(2) Uani 1 1 d . . .
H13A H -0.4576 1.3705 0.4465 0.109 Uiso 1 1 calc R . .
H13B H -0.4635 1.3156 0.3408 0.109 Uiso 1 1 calc R . .
C14 C -0.5280(12) 1.1549(10) 0.4058(5) 0.104(3) Uani 1 1 d . . .
H14A H -0.5098 1.0725 0.3593 0.157 Uiso 1 1 calc R . .
H14B H -0.6353 1.1759 0.3970 0.157 Uiso 1 1 calc R . .
H14C H -0.5011 1.1254 0.4648 0.157 Uiso 1 1 calc R . .
C15 C 0.1903(5) 0.6434(4) -0.0763(3) 0.0344(8) Uani 1 1 d . . .
C16 C 0.3351(5) 0.5896(5) -0.0577(3) 0.0440(9) Uani 1 1 d . . .
H16 H 0.3914 0.6222 0.0001 0.053 Uiso 1 1 calc R . .
C17 C 0.1128(5) 0.5884(5) -0.1635(3) 0.0469(10) Uani 1 1 d . . .
H17 H 0.0135 0.6190 -0.1790 0.056 Uiso 1 1 calc R . .
C18 C 0.3163(6) 0.4542(6) -0.2002(3) 0.0507(11) Uani 1 1 d . A .
C19 C 0.5346(9) 0.2968(9) -0.2334(5) 0.093(2) Uani 1 1 d . A .
H19A H 0.5337 0.2676 -0.1736 0.112 Uiso 1 1 calc R . .
H19B H 0.5456 0.2041 -0.2758 0.112 Uiso 1 1 calc R . .
C20 C 0.6688(12) 0.4049(13) -0.2290(7) 0.123(3) Uani 1 1 d . . .
H20A H 0.6674 0.4394 -0.2868 0.184 Uiso 1 1 calc R A .
H20B H 0.7620 0.3542 -0.2150 0.184 Uiso 1 1 calc R . .
H20C H 0.6650 0.4921 -0.1822 0.184 Uiso 1 1 calc R . .
C21 C 0.3280(17) 0.3421(14) -0.3582(8) 0.0717(17) Uani 0.50 1 d PD A 1
H21A H 0.4158 0.3438 -0.3912 0.086 Uiso 0.50 1 calc PR A 1
H21B H 0.2670 0.4278 -0.3709 0.086 Uiso 0.50 1 calc PR A 1
C22 C 0.2311(16) 0.1929(13) -0.3916(9) 0.0717(17) Uani 0.50 1 d PD A 1
H22A H 0.1860 0.1898 -0.4541 0.108 Uiso 0.50 1 calc PR A 1
H22B H 0.1505 0.1860 -0.3548 0.108 Uiso 0.50 1 calc PR A 1
H22C H 0.2950 0.1076 -0.3871 0.108 Uiso 0.50 1 calc PR A 1
C21A C 0.2676(16) 0.2456(13) -0.3339(7) 0.0717(17) Uani 0.50 1 d PD A 2
H21C H 0.3092 0.1466 -0.3508 0.086 Uiso 0.50 1 calc PR A 2
H21D H 0.1669 0.2316 -0.3151 0.086 Uiso 0.50 1 calc PR A 2
C22A C 0.2683(19) 0.3423(14) -0.4016(9) 0.0717(17) Uani 0.50 1 d PD A 2
H22D H 0.1993 0.2962 -0.4557 0.108 Uiso 0.50 1 calc PR A 2
H22E H 0.3711 0.3544 -0.4161 0.108 Uiso 0.50 1 calc PR A 2
H22F H 0.2348 0.4416 -0.3790 0.108 Uiso 0.50 1 calc PR A 2


_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 N1 1.781(3) . ?
Se1 N2 1.788(3) . ?
N1 C1 1.326(5) . ?
N2 C2 1.327(5) . ?
N3 C9 1.320(6) . ?
N3 C10 1.338(6) . ?
N4 C8 1.322(6) . ?
N4 C10 1.346(6) . ?
N5 C10 1.364(6) . ?
N5 C11 1.443(9) . ?
N5 C13 1.450(9) . ?
N6 C16 1.325(5) . ?
N6 C18 1.337(6) . ?
N7 C17 1.322(6) . ?
N7 C18 1.353(6) . ?
N8 C18 1.359(6) . ?
N8 C19 1.505(9) . ?
N8 C21 1.423(12) . ?
N8 C21A 1.561(12) . ?
C1 C2 1.452(5) . ?
C1 C6 1.433(5) . ?
C2 C3 1.439(5) . ?
C3 C4 1.366(5) . ?
C3 C15 1.474(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.423(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.363(6) . ?
C6 C7 1.475(6) . ?
C7 C8 1.379(6) . ?
C7 C9 1.392(6) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.415(13) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.379(12) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.379(6) . ?
C15 C17 1.388(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.464(13) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.504(13) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C21A H21C 0.9700 . ?
C21A H21D 0.9700 . ?
C21A C22A 1.421(14) . ?
C22A H22D 0.9600 . ?
C22A H22E 0.9600 . ?
C22A H22F 0.9600 . ?

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 Se1 N2 94.24(15) . . ?
C1 N1 Se1 107.2(3) . . ?
C2 N2 Se1 106.6(3) . . ?
C9 N3 C10 116.3(4) . . ?
C8 N4 C10 115.6(4) . . ?
C10 N5 C11 121.8(5) . . ?
C10 N5 C13 120.8(5) . . ?
C11 N5 C13 117.1(5) . . ?
C16 N6 C18 115.9(4) . . ?
C17 N7 C18 115.7(4) . . ?
C18 N8 C19 119.2(5) . . ?
C18 N8 C21 122.4(7) . . ?
C18 N8 C21A 115.3(7) . . ?
C19 N8 C21A 114.3(7) . . ?
C21 N8 C19 117.5(8) . . ?
C21 N8 C21A 43.5(6) . . ?
N1 C1 C2 115.7(3) . . ?
N1 C1 C6 123.8(3) . . ?
C6 C1 C2 120.5(3) . . ?
N2 C2 C1 116.3(3) . . ?
N2 C2 C3 123.3(3) . . ?
C3 C2 C1 120.4(3) . . ?
C2 C3 C15 121.0(3) . . ?
C4 C3 C2 116.5(4) . . ?
C4 C3 C15 122.5(4) . . ?
C3 C4 H4 118.6 . . ?
C3 C4 C5 122.8(4) . . ?
C5 C4 H4 118.6 . . ?
C4 C5 H5 118.4 . . ?
C6 C5 C4 123.2(4) . . ?
C6 C5 H5 118.4 . . ?
C1 C6 C7 122.2(4) . . ?
C5 C6 C1 116.6(4) . . ?
C5 C6 C7 121.2(4) . . ?
C8 C7 C6 121.9(4) . . ?
C8 C7 C9 113.7(4) . . ?
C9 C7 C6 124.4(4) . . ?
N4 C8 C7 124.9(4) . . ?
N4 C8 H8 117.6 . . ?
C7 C8 H8 117.6 . . ?
N3 C9 C7 124.2(4) . . ?
N3 C9 H9 117.9 . . ?
C7 C9 H9 117.9 . . ?
N3 C10 N4 125.3(4) . . ?
N3 C10 N5 117.7(5) . . ?
N4 C10 N5 117.0(4) . . ?
N5 C11 H11A 108.2 . . ?
N5 C11 H11B 108.2 . . ?
H11A C11 H11B 107.3 . . ?
C12 C11 N5 116.6(9) . . ?
C12 C11 H11A 108.2 . . ?
C12 C11 H11B 108.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 H13A 110.2 . . ?
N5 C13 H13B 110.2 . . ?
H13A C13 H13B 108.5 . . ?
C14 C13 N5 107.4(8) . . ?
C14 C13 H13A 110.2 . . ?
C14 C13 H13B 110.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C3 122.3(4) . . ?
C16 C15 C17 114.6(4) . . ?
C17 C15 C3 123.1(4) . . ?
N6 C16 C15 124.2(4) . . ?
N6 C16 H16 117.9 . . ?
C15 C16 H16 117.9 . . ?
N7 C17 C15 124.0(4) . . ?
N7 C17 H17 118.0 . . ?
C15 C17 H17 118.0 . . ?
N6 C18 N7 125.5(4) . . ?
N6 C18 N8 116.7(4) . . ?
N7 C18 N8 117.7(4) . . ?
N8 C19 H19A 108.8 . . ?
N8 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 N8 113.8(8) . . ?
C20 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
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 . . ?
N8 C21 H21A 109.3 . . ?
N8 C21 H21B 109.3 . . ?
N8 C21 C22 111.7(10) . . ?
H21A C21 H21B 108.0 . . ?
C22 C21 H21A 109.3 . . ?
C22 C21 H21B 109.3 . . ?
N8 C21A H21C 113.2 . . ?
N8 C21A H21D 113.2 . . ?
H21C C21A H21D 110.6 . . ?
C22A C21A N8 92.4(9) . . ?
C22A C21A H21C 113.2 . . ?
C22A C21A H21D 113.2 . . ?
C21A C22A H22D 109.5 . . ?
C21A C22A H22E 109.5 . . ?
C21A C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?

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
Se1 N1 C1 C2 0.6(4) . . . . ?
Se1 N1 C1 C6 -177.6(3) . . . . ?
Se1 N2 C2 C1 -0.4(4) . . . . ?
Se1 N2 C2 C3 177.0(3) . . . . ?
N1 Se1 N2 C2 0.6(3) . . . . ?
N1 C1 C2 N2 -0.2(5) . . . . ?
N1 C1 C2 C3 -177.6(3) . . . . ?
N1 C1 C6 C5 175.3(4) . . . . ?
N1 C1 C6 C7 -3.8(6) . . . . ?
N2 Se1 N1 C1 -0.7(3) . . . . ?
N2 C2 C3 C4 -175.4(4) . . . . ?
N2 C2 C3 C15 6.0(5) . . . . ?
C1 C2 C3 C4 1.9(5) . . . . ?
C1 C2 C3 C15 -176.7(3) . . . . ?
C1 C6 C7 C8 141.0(4) . . . . ?
C1 C6 C7 C9 -40.0(6) . . . . ?
C2 C1 C6 C5 -2.8(5) . . . . ?
C2 C1 C6 C7 178.0(3) . . . . ?
C2 C3 C4 C5 -2.2(6) . . . . ?
C2 C3 C15 C16 51.7(5) . . . . ?
C2 C3 C15 C17 -131.0(4) . . . . ?
C3 C4 C5 C6 0.0(7) . . . . ?
C3 C15 C16 N6 178.2(4) . . . . ?
C3 C15 C17 N7 -179.2(4) . . . . ?
C4 C3 C15 C16 -126.8(5) . . . . ?
C4 C3 C15 C17 50.6(6) . . . . ?
C4 C5 C6 C1 2.6(6) . . . . ?
C4 C5 C6 C7 -178.3(4) . . . . ?
C5 C6 C7 C8 -38.1(6) . . . . ?
C5 C6 C7 C9 140.9(5) . . . . ?
C6 C1 C2 N2 178.1(3) . . . . ?
C6 C1 C2 C3 0.7(5) . . . . ?
C6 C7 C8 N4 176.2(4) . . . . ?
C6 C7 C9 N3 -175.0(5) . . . . ?
C8 N4 C10 N3 1.8(8) . . . . ?
C8 N4 C10 N5 -177.0(5) . . . . ?
C8 C7 C9 N3 4.1(7) . . . . ?
C9 N3 C10 N4 -0.8(8) . . . . ?
C9 N3 C10 N5 178.0(5) . . . . ?
C9 C7 C8 N4 -3.0(7) . . . . ?
C10 N3 C9 C7 -2.4(8) . . . . ?
C10 N4 C8 C7 0.3(8) . . . . ?
C10 N5 C11 C12 -87.8(9) . . . . ?
C10 N5 C13 C14 84.7(8) . . . . ?
C11 N5 C10 N3 -2.5(9) . . . . ?
C11 N5 C10 N4 176.4(7) . . . . ?
C11 N5 C13 C14 -101.6(8) . . . . ?
C13 N5 C10 N3 170.9(6) . . . . ?
C13 N5 C10 N4 -10.2(9) . . . . ?
C13 N5 C11 C12 98.6(9) . . . . ?
C15 C3 C4 C5 176.3(4) . . . . ?
C16 N6 C18 N7 -4.3(8) . . . . ?
C16 N6 C18 N8 177.8(5) . . . . ?
C16 C15 C17 N7 -1.7(7) . . . . ?
C17 N7 C18 N6 3.4(8) . . . . ?
C17 N7 C18 N8 -178.8(5) . . . . ?
C17 C15 C16 N6 0.7(7) . . . . ?
C18 N6 C16 C15 2.1(7) . . . . ?
C18 N7 C17 C15 -0.1(7) . . . . ?
C18 N8 C19 C20 -81.4(9) . . . . ?
C18 N8 C21 C22 -101.8(12) . . . . ?
C18 N8 C21A C22A 99.2(10) . . . . ?
C19 N8 C18 N6 5.6(9) . . . . ?
C19 N8 C18 N7 -172.4(6) . . . . ?
C19 N8 C21 C22 89.4(12) . . . . ?
C19 N8 C21A C22A -117.1(10) . . . . ?
C21 N8 C18 N6 -163.1(8) . . . . ?
C21 N8 C18 N7 18.9(11) . . . . ?
C21 N8 C19 C20 87.9(9) . . . . ?
C21 N8 C21A C22A -12.0(12) . . . . ?
C21A N8 C18 N6 147.4(6) . . . . ?
C21A N8 C18 N7 -30.6(9) . . . . ?
C21A N8 C19 C20 136.5(8) . . . . ?
C21A N8 C21 C22 -7.8(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
