# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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. 
# 
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data_a504
_database_code_depnum_ccdc_archive 'CCDC 2021504'
loop_
_audit_author_name
_audit_author_address
'Yuliya Bryleva'
;Nikolaev Institute of Inorganic Chemistry Siberian Branch of the Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-08-05 deposited with the CCDC.	2020-12-30 downloaded from the CCDC.
;
_audit_creation_date             2018-11-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C38 H40 Eu N11 O9, C2 H3 N'
_chemical_formula_sum            'C40 H43 Eu N12 O9'
_chemical_formula_weight         987.82
_chemical_absolute_configuration ad
_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'
Eu Eu -0.1578 3.6682 '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'
O O 0.0106 0.0060 '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      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.3607(7)
_cell_length_b                   17.4615(11)
_cell_length_c                   10.4929(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2081.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4581
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.858
_shelx_estimated_absorpt_T_min   0.649
_exptl_absorpt_coefficient_mu    1.577
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0464 before and 0.0259 after correction. The Ratio of minimum to maximum transmission is 0.8614. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plank
_exptl_crystal_F_000             1004
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CH3CN'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13495
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.699
_diffrn_reflns_theta_min         1.941
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.732
_reflns_Friedel_fraction_full    0.973
_reflns_Friedel_fraction_max     0.939
_reflns_number_gt                4685
_reflns_number_total             5200
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         0.756
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.119
_refine_ls_abs_structure_details 
;
 Flack x determined using 1697 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.012(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5200
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0425
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0198P)²+2.7969P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0821
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C20(0.5) C21(0.5) H21A(0.5) H21B(0.5) H21C(0.5) N7(0.5)
3.a Ternary CH refined with riding coordinates:
 C1(H1), C5(H5)
3.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C7(H7A,H7B)
3.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C16(H16), C17(H17), C18(H18), C19(H19)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C14(H14A,H14B,H14C), C21(H21A,H21B,H21C)
;
_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
Eu1 Eu 0.5000 0.5000 0.57317(3) 0.01782(10) Uani 1 2 d S T P . .
O1 O 0.3005(4) 0.4646(3) 0.6534(5) 0.0303(12) Uani 1 1 d . . . . .
O2 O 0.3147(3) 0.5781(3) 0.5721(5) 0.0262(9) Uani 1 1 d . . . . .
O3 O 0.1537(5) 0.5441(4) 0.6675(8) 0.074(2) Uani 1 1 d . . . . .
O4 O 0.4721(3) 0.5598(3) 0.7859(4) 0.0282(11) Uani 1 1 d . . . . .
O6 O 0.5000 0.5000 0.9659(5) 0.0540(19) Uani 1 2 d S T P . .
N1 N 0.3771(4) 0.4636(3) 0.3724(5) 0.0214(11) Uani 1 1 d . . . . .
N2 N 0.3338(4) 0.3895(3) 0.3647(5) 0.0206(11) Uani 1 1 d . . . . .
N3 N 0.4587(4) 0.3565(3) 0.5308(5) 0.0197(11) Uani 1 1 d . . . . .
N4 N 0.2152(4) 0.3168(3) 0.2150(5) 0.0237(12) Uani 1 1 d . . . . .
N5 N 0.2528(5) 0.5287(4) 0.6301(7) 0.0345(17) Uani 1 1 d . . . . .
N6 N 0.5000 0.5000 0.8500(6) 0.0285(15) Uani 1 2 d S T P . .
C1 C 0.0891(6) 0.3897(4) -0.0939(6) 0.0282(15) Uani 1 1 d . . . . .
H1 H 0.0850 0.4381 -0.1446 0.034 Uiso 1 1 calc R . . . .
C2 C 0.1556(5) 0.3936(4) 0.0303(6) 0.0253(14) Uani 1 1 d . . . . .
C3 C 0.1578(5) 0.3252(4) 0.1034(6) 0.0229(13) Uani 1 1 d . . . . .
C4 C 0.0968(6) 0.2549(4) 0.0500(6) 0.0292(16) Uani 1 1 d . . . . .
H4A H 0.0359 0.2372 0.1107 0.035 Uiso 1 1 calc R . . . .
H4B H 0.1549 0.2131 0.0392 0.035 Uiso 1 1 calc R . . . .
C5 C 0.0399(5) 0.2729(4) -0.0780(7) 0.0300(14) Uani 1 1 d . . . . .
H5 H -0.0033 0.2294 -0.1187 0.036 Uiso 1 1 calc R . . . .
C6 C 0.1283(6) 0.3164(4) -0.1671(6) 0.0282(15) Uani 1 1 d . . . . .
C7 C -0.0303(5) 0.3485(4) -0.0671(7) 0.0330(16) Uani 1 1 d . . . . .
H7A H -0.0633 0.3584 0.0187 0.040 Uiso 1 1 calc R . . . .
H7B H -0.0904 0.3557 -0.1344 0.040 Uiso 1 1 calc R . . . .
C8 C 0.0851(7) 0.3182(5) -0.3052(6) 0.0371(18) Uani 1 1 d . . . . .
H8A H 0.0034 0.3362 -0.3075 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.0895 0.2666 -0.3416 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.1347 0.3530 -0.3550 0.056 Uiso 1 1 calc GR . . . .
C9 C 0.2569(6) 0.2940(5) -0.1639(7) 0.0327(16) Uani 1 1 d . . . . .
H9A H 0.3038 0.3333 -0.2072 0.049 Uiso 1 1 calc GR . . . .
H9B H 0.2673 0.2447 -0.2072 0.049 Uiso 1 1 calc GR . . . .
H9C H 0.2829 0.2894 -0.0751 0.049 Uiso 1 1 calc GR . . . .
C10 C 0.2143(5) 0.4584(4) 0.0735(7) 0.0252(13) Uani 1 1 d . . . . .
H10 H 0.2147 0.5049 0.0266 0.030 Uiso 1 1 calc R . . . .
C11 C 0.2728(5) 0.4511(4) 0.1901(6) 0.0228(14) Uani 1 1 d . . . . .
C12 C 0.2696(5) 0.3805(4) 0.2535(6) 0.0218(13) Uani 1 1 d . . . . .
C13 C 0.3409(4) 0.4999(6) 0.2690(5) 0.0233(11) Uani 1 1 d . . . . .
C14 C 0.3696(6) 0.5817(4) 0.2450(7) 0.0307(16) Uani 1 1 d . . . . .
H14A H 0.4329 0.5850 0.1819 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.3951 0.6058 0.3247 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.2996 0.6081 0.2127 0.046 Uiso 1 1 calc GR . . . .
C15 C 0.3723(5) 0.3338(4) 0.4529(5) 0.0193(13) Uani 1 1 d . . . . .
C16 C 0.3234(5) 0.2611(4) 0.4527(6) 0.0235(14) Uani 1 1 d . . . . .
H16 H 0.2601 0.2480 0.3977 0.028 Uiso 1 1 calc R . . . .
C17 C 0.3713(5) 0.2085(4) 0.5367(6) 0.0231(14) Uani 1 1 d . . . . .
H17 H 0.3405 0.1580 0.5403 0.028 Uiso 1 1 calc R . . . .
C18 C 0.4633(5) 0.2290(4) 0.6149(6) 0.0262(14) Uani 1 1 d . . . . .
H18 H 0.4987 0.1929 0.6706 0.031 Uiso 1 1 calc R . . . .
C19 C 0.5024(8) 0.3036(3) 0.6099(5) 0.0239(11) Uani 1 1 d . . . . .
H19 H 0.5640 0.3183 0.6659 0.029 Uiso 1 1 calc R . . . .
C20 C -0.0191(16) 0.4670(9) 0.3362(15) 0.047(4) Uiso 0.5 1 d . . . A -1
C21 C 0.0448(14) 0.496(2) 0.4399(19) 0.083(6) Uiso 0.5 1 d . . . A -1
H21A H 0.1062 0.5306 0.4090 0.125 Uiso 0.5 1 calc GR . . A -1
H21B H 0.0813 0.4533 0.4863 0.125 Uiso 0.5 1 calc GR . . A -1
H21C H -0.0084 0.5237 0.4970 0.125 Uiso 0.5 1 calc GR . . A -1
N7 N -0.0653(13) 0.4371(10) 0.2543(17) 0.060(4) Uiso 0.5 1 d . . . A -1


_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
Eu1 O1 2.495(5) . ?
Eu1 O1 2.496(5) 2_665 ?
Eu1 O2 2.508(4) . ?
Eu1 O2 2.508(4) 2_665 ?
Eu1 O4 2.484(4) . ?
Eu1 O4 2.484(4) 2_665 ?
Eu1 N1 2.606(5) . ?
Eu1 N1 2.606(5) 2_665 ?
Eu1 N3 2.587(5) 2_665 ?
Eu1 N3 2.587(5) . ?
Eu1 N5 2.915(6) . ?
Eu1 N6 2.905(6) . ?
O1 N5 1.267(7) . ?
O2 N5 1.269(7) . ?
O3 N5 1.223(8) . ?
O4 N6 1.282(5) . ?
O6 N6 1.216(8) . ?
N1 N2 1.386(7) . ?
N1 C13 1.322(8) . ?
N2 C12 1.385(7) . ?
N2 C15 1.412(8) . ?
N3 C15 1.337(7) . ?
N3 C19 1.338(7) . ?
N4 C3 1.348(8) . ?
N4 C12 1.334(8) . ?
N6 O4 1.282(5) 2_665 ?
C1 C2 1.508(8) . ?
C1 C6 1.557(10) . ?
C1 C7 1.561(9) . ?
C2 C3 1.421(9) . ?
C2 C10 1.388(9) . ?
C3 C4 1.517(9) . ?
C4 C5 1.523(9) . ?
C5 C6 1.569(9) . ?
C5 C7 1.547(9) . ?
C6 C8 1.530(9) . ?
C6 C9 1.514(9) . ?
C10 C11 1.397(9) . ?
C11 C12 1.403(9) . ?
C11 C13 1.418(10) . ?
C13 C14 1.486(12) . ?
C15 C16 1.387(9) . ?
C16 C17 1.383(9) . ?
C17 C18 1.377(8) . ?
C18 C19 1.376(9) . ?
C20 C21 1.40(2) . ?
C20 N7 1.13(2) . ?

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
O1 Eu1 O1 140.6(3) . 2_665 ?
O1 Eu1 O2 51.26(16) 2_665 2_665 ?
O1 Eu1 O2 128.96(15) 2_665 . ?
O1 Eu1 O2 128.96(15) . 2_665 ?
O1 Eu1 O2 51.26(16) . . ?
O1 Eu1 N1 145.06(17) . 2_665 ?
O1 Eu1 N1 145.06(17) 2_665 . ?
O1 Eu1 N1 74.06(17) . . ?
O1 Eu1 N1 74.06(17) 2_665 2_665 ?
O1 Eu1 N3 117.56(16) . 2_665 ?
O1 Eu1 N3 117.56(16) 2_665 . ?
O1 Eu1 N3 69.71(17) . . ?
O1 Eu1 N3 69.71(17) 2_665 2_665 ?
O1 Eu1 N5 139.77(18) 2_665 . ?
O1 Eu1 N5 25.63(15) . . ?
O1 Eu1 N6 70.29(13) 2_665 . ?
O1 Eu1 N6 70.29(13) . . ?
O2 Eu1 O2 179.5(2) 2_665 . ?
O2 Eu1 N1 108.27(16) . 2_665 ?
O2 Eu1 N1 108.27(16) 2_665 . ?
O2 Eu1 N1 71.30(16) . . ?
O2 Eu1 N1 71.30(16) 2_665 2_665 ?
O2 Eu1 N3 67.96(14) 2_665 . ?
O2 Eu1 N3 111.95(14) . . ?
O2 Eu1 N3 111.95(14) 2_665 2_665 ?
O2 Eu1 N3 67.96(14) . 2_665 ?
O2 Eu1 N5 154.54(16) 2_665 . ?
O2 Eu1 N5 25.70(16) . . ?
O2 Eu1 N6 90.25(12) . . ?
O2 Eu1 N6 90.25(12) 2_665 . ?
O4 Eu1 O1 71.65(17) . . ?
O4 Eu1 O1 71.65(17) 2_665 2_665 ?
O4 Eu1 O1 73.07(15) 2_665 . ?
O4 Eu1 O1 73.07(15) . 2_665 ?
O4 Eu1 O2 109.86(15) . 2_665 ?
O4 Eu1 O2 109.86(15) 2_665 . ?
O4 Eu1 O2 70.63(15) 2_665 2_665 ?
O4 Eu1 O2 70.63(15) . . ?
O4 Eu1 O4 52.1(2) . 2_665 ?
O4 Eu1 N1 139.48(14) 2_665 2_665 ?
O4 Eu1 N1 133.79(15) 2_665 . ?
O4 Eu1 N1 139.48(14) . . ?
O4 Eu1 N1 133.79(15) . 2_665 ?
O4 Eu1 N3 122.56(15) . . ?
O4 Eu1 N3 76.75(15) 2_665 . ?
O4 Eu1 N3 76.75(15) . 2_665 ?
O4 Eu1 N3 122.57(15) 2_665 2_665 ?
O4 Eu1 N5 67.72(18) . . ?
O4 Eu1 N5 90.64(17) 2_665 . ?
O4 Eu1 N6 26.05(10) . . ?
O4 Eu1 N6 26.05(10) 2_665 . ?
N1 Eu1 N1 72.1(2) . 2_665 ?
N1 Eu1 N5 72.00(18) . . ?
N1 Eu1 N5 129.80(18) 2_665 . ?
N1 Eu1 N6 143.93(11) 2_665 . ?
N1 Eu1 N6 143.93(11) . . ?
N3 Eu1 N1 61.81(16) 2_665 2_665 ?
N3 Eu1 N1 101.21(16) 2_665 . ?
N3 Eu1 N1 61.81(16) . . ?
N3 Eu1 N1 101.21(16) . 2_665 ?
N3 Eu1 N3 160.2(2) . 2_665 ?
N3 Eu1 N5 91.53(17) . . ?
N3 Eu1 N5 92.50(16) 2_665 . ?
N3 Eu1 N6 99.90(11) . . ?
N3 Eu1 N6 99.90(11) 2_665 . ?
N6 Eu1 N5 78.18(15) . . ?
N5 O1 Eu1 96.0(4) . . ?
N5 O2 Eu1 95.3(4) . . ?
N6 O4 Eu1 95.6(3) . . ?
N2 N1 Eu1 117.7(4) . . ?
C13 N1 Eu1 135.5(5) . . ?
C13 N1 N2 106.8(6) . . ?
N1 N2 C15 119.6(5) . . ?
C12 N2 N1 110.0(5) . . ?
C12 N2 C15 129.6(5) . . ?
C15 N3 Eu1 121.7(4) . . ?
C15 N3 C19 116.5(6) . . ?
C19 N3 Eu1 119.7(4) . . ?
C12 N4 C3 113.4(6) . . ?
O1 N5 Eu1 58.4(3) . . ?
O1 N5 O2 117.2(6) . . ?
O2 N5 Eu1 59.0(3) . . ?
O3 N5 Eu1 172.4(6) . . ?
O3 N5 O1 121.8(7) . . ?
O3 N5 O2 120.9(7) . . ?
O4 N6 Eu1 58.3(3) . . ?
O4 N6 Eu1 58.3(3) 2_665 . ?
O4 N6 O4 116.6(6) . 2_665 ?
O6 N6 Eu1 180.0 . . ?
O6 N6 O4 121.7(3) . . ?
O6 N6 O4 121.7(3) . 2_665 ?
C2 C1 C6 108.7(5) . . ?
C2 C1 C7 107.5(6) . . ?
C6 C1 C7 87.6(5) . . ?
C3 C2 C1 115.9(6) . . ?
C10 C2 C1 124.1(6) . . ?
C10 C2 C3 120.0(6) . . ?
N4 C3 C2 124.7(6) . . ?
N4 C3 C4 117.0(6) . . ?
C2 C3 C4 118.2(5) . . ?
C3 C4 C5 110.6(6) . . ?
C4 C5 C6 110.7(5) . . ?
C4 C5 C7 109.3(6) . . ?
C7 C5 C6 87.7(5) . . ?
C1 C6 C5 85.5(5) . . ?
C8 C6 C1 111.0(6) . . ?
C8 C6 C5 111.7(6) . . ?
C9 C6 C1 118.5(6) . . ?
C9 C6 C5 118.6(6) . . ?
C9 C6 C8 109.6(6) . . ?
C5 C7 C1 86.1(4) . . ?
C2 C10 C11 116.2(6) . . ?
C10 C11 C12 118.9(6) . . ?
C10 C11 C13 135.8(7) . . ?
C12 C11 C13 105.4(6) . . ?
N2 C12 C11 106.6(5) . . ?
N4 C12 N2 126.4(6) . . ?
N4 C12 C11 127.0(6) . . ?
N1 C13 C11 111.2(8) . . ?
N1 C13 C14 122.1(6) . . ?
C11 C13 C14 126.7(6) . . ?
N3 C15 N2 115.1(5) . . ?
N3 C15 C16 124.5(6) . . ?
C16 C15 N2 120.4(5) . . ?
C17 C16 C15 116.7(5) . . ?
C18 C17 C16 120.3(6) . . ?
C19 C18 C17 118.0(6) . . ?
N3 C19 C18 123.9(7) . . ?
N7 C20 C21 173(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
