# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_dvdz001
_database_code_depnum_ccdc_archive 'CCDC 1876191'
_audit_update_record             
;
2018-10-30 deposited with the CCDC.
2019-02-01 downloaded from the CCDC.
;
_audit_creation_date             2018-03-29
_audit_creation_method           
;
Olex2 1.2
(compiled Aug 10 2017 17:28:52 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C20 H20 N), I4 Pb'
_chemical_formula_sum            'C40 H40 I4 N2 Pb'
_chemical_formula_weight         1263.54
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C40 H40 I4 N2 Pb'
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'
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'
Pb Pb -3.3944 10.1111 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   25.0798(3)
_cell_length_b                   8.70360(10)
_cell_length_c                   8.76250(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.6530(10)
_cell_angle_gamma                90
_cell_volume                     1910.67(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    27910
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      29.6260
_cell_measurement_theta_min      2.8410
_shelx_estimated_absorpt_T_max   0.488
_shelx_estimated_absorpt_T_min   0.201
_exptl_absorpt_coefficient_mu    7.677
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.991
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orangish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-8 9 8 0.1006
12 -7 -10 0.1187
2 12 -1 0.0518
-4 -12 2 0.0932
35 1 1 0.0500
-35 -2 0 0.0525
-26 2 -8 0.0921
8 6 -10 0.1410
-18 -10 -1 0.0791
-21 -7 7 0.1194
22 -9 2 0.0675
-13 -8 8 0.1234
4 -10 7 0.1021
-30 5 -3 0.0661
0 -2 12 0.1483
27 5 6 0.0902
30 7 1 0.0475

_exptl_crystal_size_max          0.308
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.109
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-8.0010 9.0061 7.9960 0.9715 0.0943 0.2085
12.0012 -7.0051 -9.9947 -0.9287 -0.0533 -0.4544
2.0005 12.0072 -1.0001 0.7610 0.3082 -0.5412
-4.0005 -12.0071 1.9993 -0.7152 -0.3025 0.6261
34.9957 1.0007 1.0118 0.1129 -0.8311 -0.5468
-34.9961 -2.0012 -0.0118 -0.1343 0.7640 0.6376
-25.9947 2.0006 -8.0084 -0.2318 0.9865 -0.0813
8.0021 6.0028 -9.9969 -0.0546 0.3800 -0.8845
-17.9980 -10.0061 -1.0054 -0.7181 0.1992 0.6163
-20.9998 -7.0037 6.9928 -0.1499 0.0199 0.9727
21.9966 -9.0053 2.0080 -0.5136 -0.8305 0.0949
-13.0010 -8.0042 7.9955 -0.1714 -0.2338 0.9352
3.9972 -10.0055 7.0015 -0.3518 -0.6416 0.6857
-29.9955 5.0028 -3.0103 0.1989 0.9534 0.1328
-0.0034 -2.0002 11.9992 0.4151 -0.5439 0.7097
26.9954 5.0035 6.0084 0.6109 -0.7447 -0.3066
29.9965 7.0043 1.0096 0.5163 -0.5576 -0.6947

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            49790
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.712
_diffrn_reflns_theta_min         2.477
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4839
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -36.00  45.00   1.00    5.00    --   10.40 -85.00 -39.00   81
  2  ω    -46.00  15.00   1.00    5.00    --  -11.11  85.00  79.00   61
  3  ω    -36.00  24.00   1.00    5.00    --  -11.11 -85.00 -39.00   60
  4  ω    -18.00  84.00   1.00    5.00    --   10.40  57.00-180.00  102
  5  ω    -20.00  51.00   1.00    5.00    --   10.40 -99.00-180.00   71
  6  ω    -20.00  30.00   1.00    5.00    --  -11.11 -99.00 120.00   50
  7  ω    -20.00  30.00   1.00    5.00    --  -11.11 -99.00-120.00   50
  8  ω    -20.00  30.00   1.00    5.00    --  -11.11 -99.00 150.00   50
  9  ω    -20.00  30.00   1.00    5.00    --  -11.11 -99.00 -90.00   50
 10  ω    -20.00  30.00   1.00    5.00    --  -11.11 -99.00  60.00   50
 11  ω    -65.00 -20.00   1.00    5.00    --  -11.11 121.00-116.09   45
 12  ω    -67.00 -22.00   1.00    5.00    --  -11.11 124.00 135.79   45
 13  ω    -14.00  85.00   1.00    5.00    --   10.40  38.00  90.00   99
 14  ω    -14.00  15.00   1.00    5.00    --   10.40  38.00   0.00   29
 15  ω    -44.00  65.00   1.00    5.00    --  -11.11  77.00  60.00  109
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0000198000
_diffrn_orient_matrix_UB_12      0.0671964000
_diffrn_orient_matrix_UB_13      0.0457980000
_diffrn_orient_matrix_UB_21      -0.0233124000
_diffrn_orient_matrix_UB_22      0.0261394000
_diffrn_orient_matrix_UB_23      -0.0409774000
_diffrn_orient_matrix_UB_31      -0.0160649000
_diffrn_orient_matrix_UB_32      -0.0380007000
_diffrn_orient_matrix_UB_33      0.0528032000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4814
_reflns_number_total             5140
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_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         0.875
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         5140
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0211
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0201P)²+1.5610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0437
_refine_ls_wR_factor_ref         0.0451
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13)
2.c Idealised Me refined as rotating group:
 N1(H1A,H1B,H1C)
;
_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
Pb1 Pb 0.5000 0.5000 0.0000 0.01210(4) Uani 1 2 d S T P . .
I1 I 0.37676(2) 0.41816(2) -0.04701(2) 0.01706(5) Uani 1 1 d . . . . .
I2 I 0.52450(2) 0.20207(2) 0.20623(2) 0.01579(5) Uani 1 1 d . . . . .
N1 N 0.39996(9) 0.4823(2) 0.5604(3) 0.0174(5) Uani 1 1 d . . . . .
H1A H 0.4266 0.5129 0.5002 0.021 Uiso 1 1 calc GR . . . .
H1B H 0.3910 0.3832 0.5381 0.021 Uiso 1 1 calc GR . . . .
H1C H 0.4113 0.4895 0.6603 0.021 Uiso 1 1 calc GR . . . .
C1 C 0.21548(10) 0.4289(3) 0.2407(3) 0.0150(5) Uani 1 1 d . . . . .
C2 C 0.23917(11) 0.2973(3) 0.1845(3) 0.0176(5) Uani 1 1 d . . . . .
H2 H 0.2683 0.3074 0.1196 0.021 Uiso 1 1 calc R . . . .
C3 C 0.22132(11) 0.1516(3) 0.2209(3) 0.0183(5) Uani 1 1 d . . . . .
H3 H 0.2385 0.0639 0.1813 0.022 Uiso 1 1 calc R . . . .
C4 C 0.17852(10) 0.1321(3) 0.3146(3) 0.0161(5) Uani 1 1 d . . . . .
C5 C 0.15942(12) -0.0164(3) 0.3565(3) 0.0198(6) Uani 1 1 d . . . . .
H5 H 0.1763 -0.1055 0.3188 0.024 Uiso 1 1 calc R . . . .
C6 C 0.11814(11) -0.0331(3) 0.4478(3) 0.0196(6) Uani 1 1 d . . . . .
H6 H 0.1065 -0.1334 0.4731 0.024 Uiso 1 1 calc R . . . .
C7 C 0.09130(10) 0.0979(3) 0.5078(3) 0.0158(5) Uani 1 1 d . . . . .
C8 C 0.04820(11) 0.0832(3) 0.6025(3) 0.0180(5) Uani 1 1 d . . . . .
H8 H 0.0365 -0.0162 0.6309 0.022 Uiso 1 1 calc R . . . .
C9 C 0.02224(11) 0.2127(3) 0.6556(3) 0.0201(6) Uani 1 1 d . . . . .
H9 H -0.0071 0.2009 0.7192 0.024 Uiso 1 1 calc R . . . .
C10 C 0.03897(10) 0.3584(3) 0.6162(3) 0.0178(5) Uani 1 1 d . . . . .
H10 H 0.0207 0.4459 0.6522 0.021 Uiso 1 1 calc R . . . .
C11 C 0.08251(10) 0.3779(3) 0.5240(3) 0.0148(5) Uani 1 1 d . . . . .
C12 C 0.10140(11) 0.5265(3) 0.4830(3) 0.0173(5) Uani 1 1 d . . . . .
H12 H 0.0838 0.6151 0.5193 0.021 Uiso 1 1 calc R . . . .
C13 C 0.14375(11) 0.5445(3) 0.3938(3) 0.0176(5) Uani 1 1 d . . . . .
H13 H 0.1554 0.6452 0.3701 0.021 Uiso 1 1 calc R . . . .
C14 C 0.17140(10) 0.4143(3) 0.3342(3) 0.0144(5) Uani 1 1 d . . . . .
C15 C 0.15282(10) 0.2651(3) 0.3717(3) 0.0129(5) Uani 1 1 d . . . . .
C16 C 0.10893(10) 0.2468(3) 0.4677(3) 0.0134(5) Uani 1 1 d . . . . .
C17 C 0.23980(11) 0.5845(3) 0.2084(3) 0.0171(5) Uani 1 1 d . . . . .
H17A H 0.2109 0.6590 0.1830 0.021 Uiso 1 1 calc R . . . .
H17B H 0.2623 0.5760 0.1187 0.021 Uiso 1 1 calc R . . . .
C18 C 0.27416(10) 0.6445(3) 0.3467(3) 0.0171(5) Uani 1 1 d . . . . .
H18A H 0.2863 0.7502 0.3251 0.021 Uiso 1 1 calc R . . . .
H18B H 0.2521 0.6487 0.4374 0.021 Uiso 1 1 calc R . . . .
C19 C 0.32261(11) 0.5425(3) 0.3817(3) 0.0188(5) Uani 1 1 d . . . . .
H19A H 0.3109 0.4341 0.3863 0.023 Uiso 1 1 calc R . . . .
H19B H 0.3476 0.5518 0.2979 0.023 Uiso 1 1 calc R . . . .
C20 C 0.35155(11) 0.5848(3) 0.5311(3) 0.0188(5) Uani 1 1 d . . . . .
H20A H 0.3270 0.5734 0.6158 0.023 Uiso 1 1 calc R . . . .
H20B H 0.3631 0.6935 0.5276 0.023 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
Pb1 I1 3.17995(17) 3_665 ?
Pb1 I1 3.18000(17) . ?
Pb1 I2 3.20375(16) 3_665 ?
Pb1 I2 3.20054(16) 2_655 ?
Pb1 I2 3.20054(15) 4_565 ?
Pb1 I2 3.20377(16) . ?
I2 Pb1 3.20054(15) 2_645 ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N1 C20 1.519(3) . ?
C1 C2 1.391(4) . ?
C1 C14 1.412(3) . ?
C1 C17 1.517(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.392(4) . ?
C4 C5 1.432(4) . ?
C4 C15 1.426(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.346(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.436(4) . ?
C7 C8 1.399(4) . ?
C7 C16 1.419(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.399(3) . ?
C11 C12 1.429(4) . ?
C11 C16 1.419(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.357(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.439(4) . ?
C14 C15 1.424(3) . ?
C15 C16 1.425(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.546(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.524(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.513(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?

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
I1 Pb1 I1 180.0 3_665 . ?
I1 Pb1 I2 89.675(4) . 4_565 ?
I1 Pb1 I2 90.326(5) 3_665 4_565 ?
I1 Pb1 I2 92.959(4) 3_665 3_665 ?
I1 Pb1 I2 87.041(4) . 3_665 ?
I1 Pb1 I2 89.674(4) 3_665 2_655 ?
I1 Pb1 I2 87.041(4) 3_665 . ?
I1 Pb1 I2 90.325(5) . 2_655 ?
I1 Pb1 I2 92.959(4) . . ?
I2 Pb1 I2 88.278(2) 2_655 3_665 ?
I2 Pb1 I2 180.0 3_665 . ?
I2 Pb1 I2 180.0 4_565 2_655 ?
I2 Pb1 I2 91.722(2) 4_565 3_665 ?
I2 Pb1 I2 91.722(2) 2_655 . ?
I2 Pb1 I2 88.278(2) 4_565 . ?
Pb1 I2 Pb1 149.258(5) 2_645 . ?
H1A N1 H1B 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C20 N1 H1A 109.5 . . ?
C20 N1 H1B 109.5 . . ?
C20 N1 H1C 109.5 . . ?
C2 C1 C14 119.4(2) . . ?
C2 C1 C17 119.1(2) . . ?
C14 C1 C17 121.4(2) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.6(2) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(2) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 122.5(2) . . ?
C3 C4 C15 118.8(2) . . ?
C15 C4 C5 118.7(2) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.7(2) . . ?
C6 C5 H5 119.1 . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.3(2) . . ?
C7 C6 H6 119.4 . . ?
C8 C7 C6 122.2(2) . . ?
C8 C7 C16 119.3(2) . . ?
C16 C7 C6 118.5(2) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.7(2) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.6(2) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 122.1(2) . . ?
C10 C11 C16 119.6(2) . . ?
C16 C11 C12 118.3(2) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 C11 121.8(2) . . ?
C13 C12 H12 119.1 . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.4(2) . . ?
C14 C13 H13 119.3 . . ?
C1 C14 C13 122.9(2) . . ?
C1 C14 C15 119.3(2) . . ?
C15 C14 C13 117.8(2) . . ?
C14 C15 C4 120.1(2) . . ?
C14 C15 C16 120.5(2) . . ?
C16 C15 C4 119.4(2) . . ?
C7 C16 C15 120.4(2) . . ?
C11 C16 C7 119.5(2) . . ?
C11 C16 C15 120.1(2) . . ?
C1 C17 H17A 109.3 . . ?
C1 C17 H17B 109.3 . . ?
C1 C17 C18 111.7(2) . . ?
H17A C17 H17B 107.9 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 C17 111.8(2) . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 C18 112.3(2) . . ?
C20 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
C19 C20 N1 110.5(2) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?

_olex2_exptl_crystal_mounting_method 'mounted on a nylon loop'
_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 1.589
_oxdiff_exptl_absorpt_empirical_full_min 0.779

