# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_mx9075
_database_code_depnum_ccdc_archive 'CCDC 2112711'
loop_
_audit_author_name
_audit_author_address
Hui
;BIT
China
;
_audit_update_record             
;
2021-09-28 deposited with the CCDC.	2021-10-26 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cu I2, C16 H36 N'
_chemical_formula_sum            'C16 H36 Cu I2 N'
_chemical_formula_weight         559.80
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNCuI
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   9.0430(2)
_cell_length_b                   21.1820(5)
_cell_length_c                   11.7551(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.229(2)
_cell_angle_gamma                90
_cell_volume                     2248.11(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12118
_cell_measurement_temperature    220.00(10)
_cell_measurement_theta_max      30.9620
_cell_measurement_theta_min      1.9100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.713
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19665
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.924
_diffrn_reflns_theta_min         1.923
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      220.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     69.00  94.00   0.50    1.00    --    5.00  45.00   0.00   50
  2  ω    -80.00 -51.00   0.50    1.00    --  -11.60  45.00  60.00   58
  3  ω    -18.00  73.00   0.50    1.00    --  -11.60  45.00  60.00  182
  4  ω     44.00  77.00   0.50    1.00    --  -11.60  45.00 120.00   66
  5  ω   -101.00  24.00   0.50    1.00    --  -11.60  45.00 120.00  250
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0331567000
_diffrn_orient_matrix_UB_12      0.0291647000
_diffrn_orient_matrix_UB_13      0.0165208000
_diffrn_orient_matrix_UB_21      0.0453485000
_diffrn_orient_matrix_UB_22      -0.0158031000
_diffrn_orient_matrix_UB_23      0.0422453000
_diffrn_orient_matrix_UB_31      0.0549900000
_diffrn_orient_matrix_UB_32      -0.0044971000
_diffrn_orient_matrix_UB_33      -0.0399105000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5113
_reflns_number_total             6112
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         6112
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0252P)²+1.1589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0600
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B),
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B),
 C15(H15A,H15B)
2.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C12(H12A,H12B,H12C), C16(H16A,H16B,H16C)
;
_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
I1 I 0.00465(2) 0.68178(2) 0.53067(2) 0.04486(6) Uani 1 1 d . . . . .
I2 I -0.21753(2) 0.50899(2) 0.41127(2) 0.05164(6) Uani 1 1 d . . . . .
Cu1 Cu 0.00949(3) 0.56389(2) 0.51126(3) 0.04443(8) Uani 1 1 d . . . . .
N1 N 0.4877(2) 0.67204(9) 0.67864(16) 0.0378(4) Uani 1 1 d . . . . .
C1 C 0.5025(3) 0.74333(11) 0.6913(2) 0.0454(5) Uani 1 1 d . . . . .
H1A H 0.517932 0.753213 0.771659 0.055 Uiso 1 1 calc R U . . .
H1B H 0.590232 0.756746 0.654031 0.055 Uiso 1 1 calc R U . . .
C2 C 0.3723(3) 0.78123(12) 0.6432(3) 0.0549(6) Uani 1 1 d . . . . .
H2A H 0.357368 0.772759 0.562314 0.066 Uiso 1 1 calc R U . . .
H2B H 0.283608 0.768264 0.679727 0.066 Uiso 1 1 calc R U . . .
C3 C 0.3960(4) 0.85019(13) 0.6612(3) 0.0685(8) Uani 1 1 d . . . . .
H3A H 0.490310 0.862015 0.631965 0.082 Uiso 1 1 calc R U . . .
H3B H 0.400967 0.858980 0.742290 0.082 Uiso 1 1 calc R U . . .
C4 C 0.2753(5) 0.88991(15) 0.6037(3) 0.0833(11) Uani 1 1 d . . . . .
H4A H 0.271585 0.882329 0.523028 0.125 Uiso 1 1 calc R U . . .
H4B H 0.295588 0.933747 0.618200 0.125 Uiso 1 1 calc R U . . .
H4C H 0.181779 0.878948 0.633111 0.125 Uiso 1 1 calc R U . . .
C5 C 0.4515(2) 0.65395(11) 0.55477(18) 0.0383(5) Uani 1 1 d . . . . .
H5A H 0.445720 0.608296 0.549914 0.046 Uiso 1 1 calc R U . . .
H5B H 0.354318 0.670531 0.532012 0.046 Uiso 1 1 calc R U . . .
C6 C 0.5596(3) 0.67667(14) 0.4709(2) 0.0520(6) Uani 1 1 d . . . . .
H6A H 0.656106 0.658249 0.489507 0.062 Uiso 1 1 calc R U . . .
H6B H 0.569095 0.722198 0.476382 0.062 Uiso 1 1 calc R U . . .
C7 C 0.5083(3) 0.65863(17) 0.3492(2) 0.0635(8) Uani 1 1 d . . . . .
H7A H 0.588874 0.666368 0.299906 0.076 Uiso 1 1 calc R U . . .
H7B H 0.487419 0.613714 0.347015 0.076 Uiso 1 1 calc R U . . .
C8 C 0.3745(4) 0.6932(2) 0.3027(3) 0.0866(12) Uani 1 1 d . . . . .
H8A H 0.352638 0.680773 0.224999 0.130 Uiso 1 1 calc R U . . .
H8B H 0.392930 0.737819 0.305871 0.130 Uiso 1 1 calc R U . . .
H8C H 0.291780 0.683270 0.347182 0.130 Uiso 1 1 calc R U . . .
C9 C 0.6337(3) 0.64319(13) 0.7222(2) 0.0481(6) Uani 1 1 d . . . . .
H9A H 0.710990 0.658380 0.675159 0.058 Uiso 1 1 calc R U . . .
H9B H 0.656379 0.658300 0.799065 0.058 Uiso 1 1 calc R U . . .
C10 C 0.6385(3) 0.57215(13) 0.7235(3) 0.0583(7) Uani 1 1 d . . . . .
H10A H 0.616121 0.556117 0.647134 0.070 Uiso 1 1 calc R U . . .
H10B H 0.564430 0.556079 0.772502 0.070 Uiso 1 1 calc R U . . .
C11 C 0.7905(4) 0.54959(17) 0.7663(3) 0.0714(9) Uani 1 1 d . . . . .
H11A H 0.812489 0.566094 0.842394 0.086 Uiso 1 1 calc R U . . .
H11B H 0.864062 0.566095 0.717241 0.086 Uiso 1 1 calc R U . . .
C12 C 0.8014(5) 0.4781(2) 0.7694(4) 0.1044(15) Uani 1 1 d . . . . .
H12A H 0.784738 0.461684 0.693677 0.157 Uiso 1 1 calc R U . . .
H12B H 0.728152 0.461529 0.817305 0.157 Uiso 1 1 calc R U . . .
H12C H 0.898271 0.465957 0.799206 0.157 Uiso 1 1 calc R U . . .
C13 C 0.3597(3) 0.64790(11) 0.74471(19) 0.0403(5) Uani 1 1 d . . . . .
H13A H 0.269288 0.667562 0.713840 0.048 Uiso 1 1 calc R U . . .
H13B H 0.350309 0.602807 0.731853 0.048 Uiso 1 1 calc R U . . .
C14 C 0.3723(4) 0.65949(15) 0.8718(2) 0.0625(8) Uani 1 1 d . . . . .
H14A H 0.385622 0.704275 0.886226 0.075 Uiso 1 1 calc R U . . .
H14B H 0.458508 0.637544 0.904951 0.075 Uiso 1 1 calc R U . . .
C15 C 0.2347(6) 0.6366(2) 0.9278(3) 0.1055(16) Uani 1 1 d . . . . .
H15A H 0.249205 0.645547 1.008545 0.127 Uiso 1 1 calc R U . . .
H15B H 0.153016 0.662866 0.898967 0.127 Uiso 1 1 calc R U . . .
C16 C 0.1892(7) 0.5760(3) 0.9179(4) 0.168(3) Uani 1 1 d . . . . .
H16A H 0.149684 0.568413 0.841615 0.252 Uiso 1 1 calc R U . . .
H16B H 0.113837 0.568102 0.970548 0.252 Uiso 1 1 calc R U . . .
H16C H 0.271608 0.548288 0.934652 0.252 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
I1 Cu1 2.5083(3) . ?
I2 Cu1 2.5838(3) . ?
I2 Cu1 2.5609(3) 3_566 ?
Cu1 Cu1 2.7239(6) 3_566 ?
N1 C1 1.523(3) . ?
N1 C5 1.523(3) . ?
N1 C9 1.517(3) . ?
N1 C13 1.518(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.509(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.490(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.508(5) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.506(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.527(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.492(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.506(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.514(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.517(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.512(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.519(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.352(6) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 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
Cu1 I2 Cu1 63.934(12) 3_566 . ?
I1 Cu1 I2 118.160(12) . . ?
I1 Cu1 I2 125.733(12) . 3_566 ?
I1 Cu1 Cu1 175.393(19) . 3_566 ?
I2 Cu1 I2 116.068(12) 3_566 . ?
I2 Cu1 Cu1 57.625(11) . 3_566 ?
I2 Cu1 Cu1 58.443(11) 3_566 3_566 ?
C1 N1 C5 110.85(18) . . ?
C9 N1 C1 107.24(17) . . ?
C9 N1 C5 110.91(18) . . ?
C9 N1 C13 111.44(18) . . ?
C13 N1 C1 110.46(18) . . ?
C13 N1 C5 105.99(16) . . ?
N1 C1 H1A 108.4 . . ?
N1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C2 C1 N1 115.38(19) . . ?
C2 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
C1 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 111.4(2) . . ?
C3 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C2 C3 H3A 109.0 . . ?
C2 C3 H3B 109.0 . . ?
C2 C3 C4 112.9(3) . . ?
H3A C3 H3B 107.8 . . ?
C4 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 H5A 108.4 . . ?
N1 C5 H5B 108.4 . . ?
H5A C5 H5B 107.4 . . ?
C6 C5 N1 115.68(19) . . ?
C6 C5 H5A 108.4 . . ?
C6 C5 H5B 108.4 . . ?
C5 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
C5 C6 C7 111.1(2) . . ?
H6A C6 H6B 108.0 . . ?
C7 C6 H6A 109.4 . . ?
C7 C6 H6B 109.4 . . ?
C6 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 C6 114.7(3) . . ?
C8 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 108.4 . . ?
N1 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
C10 C9 N1 115.5(2) . . ?
C10 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
C9 C10 H10A 109.6 . . ?
C9 C10 H10B 109.6 . . ?
C9 C10 C11 110.1(3) . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C10 C11 C12 112.3(3) . . ?
H11A C11 H11B 107.9 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
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 . . ?
N1 C13 H13A 108.4 . . ?
N1 C13 H13B 108.4 . . ?
H13A C13 H13B 107.4 . . ?
C14 C13 N1 115.71(19) . . ?
C14 C13 H13A 108.4 . . ?
C14 C13 H13B 108.4 . . ?
C13 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C13 C14 C15 111.0(3) . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C14 C15 H15A 107.0 . . ?
C14 C15 H15B 107.0 . . ?
H15A C15 H15B 106.8 . . ?
C16 C15 C14 121.3(4) . . ?
C16 C15 H15A 107.0 . . ?
C16 C15 H15B 107.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
N1 C1 C2 C3 179.1(2) . . . . ?
N1 C5 C6 C7 -177.2(2) . . . . ?
N1 C9 C10 C11 178.9(2) . . . . ?
N1 C13 C14 C15 176.9(3) . . . . ?
C1 N1 C5 C6 56.6(3) . . . . ?
C1 N1 C9 C10 176.4(2) . . . . ?
C1 N1 C13 C14 -60.9(3) . . . . ?
C1 C2 C3 C4 174.1(3) . . . . ?
C5 N1 C1 C2 53.9(3) . . . . ?
C5 N1 C9 C10 -62.4(3) . . . . ?
C5 N1 C13 C14 179.0(2) . . . . ?
C5 C6 C7 C8 69.6(4) . . . . ?
C9 N1 C1 C2 175.1(2) . . . . ?
C9 N1 C5 C6 -62.4(3) . . . . ?
C9 N1 C13 C14 58.2(3) . . . . ?
C9 C10 C11 C12 180.0(3) . . . . ?
C13 N1 C1 C2 -63.3(3) . . . . ?
C13 N1 C5 C6 176.5(2) . . . . ?
C13 N1 C9 C10 55.4(3) . . . . ?
C13 C14 C15 C16 57.4(6) . . . . ?

_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 1.630
_oxdiff_exptl_absorpt_empirical_full_min 0.673
