# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_t
_database_code_depnum_ccdc_archive 'CCDC 1873450'
loop_
_audit_author_name
_audit_author_address
'Jin-Xiang Chen'
;Southern Medicinal Chemistry
China
;
_audit_update_record             
;
2018-10-16 deposited with the CCDC.	2019-05-13 downloaded from the CCDC.
;
_audit_creation_date             2018-10-11
_audit_creation_method           
;
Olex2 1.2-beta
(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         '0.5(C36 H44 N4 O36 Tb4), 5(H2 O), 2(N O3)'
_chemical_formula_sum            'C18 H32 N4 O29 Tb2'
_chemical_formula_weight         1086.31
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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                   10.1266(8)
_cell_length_b                   15.5118(13)
_cell_length_c                   10.4954(9)
_cell_angle_alpha                90
_cell_angle_beta                 102.2370(10)
_cell_angle_gamma                90
_cell_volume                     1611.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.639
_shelx_estimated_absorpt_T_min   0.453
_exptl_absorpt_coefficient_mu    4.475
_exptl_absorpt_correction_T_max  0.8169
_exptl_absorpt_correction_T_min  0.4052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, (Sheldrick 2008)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.239
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18195
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.564
_diffrn_reflns_theta_min         2.380
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3436
_reflns_number_total             3709
_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       'ApexII (Bruker, 2011)'
_computing_data_collection       'ApexII (Bruker, 2011)'
_computing_data_reduction        'ApexII (Bruker, 2011)'
_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    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         0.622
_refine_diff_density_min         -1.067
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3709
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0192
_refine_ls_R_factor_gt           0.0176
_refine_ls_restrained_S_all      1.137
_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)+(0.0174P)²+2.2117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0442
_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
 At 1.5 times of:
  All O(H,H) groups
2. Others
 Fixed Sof: O5W(0.5) H5WA(0.5) H5WB(0.5)
3.a Riding coordinates:
 O5W(H5WA,H5WB), O6W(H6WA,H6WB)
3.b Free rotating group:
 O4W(H4WA,H4WB)
3.c Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
3.d Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B)
3.e Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Tb1 Tb 0.41417(2) -0.99754(2) 0.68893(2) 0.00949(4) Uani 1 1 d . . . . .
O1 O 0.50533(18) -0.86783(10) 0.62855(16) 0.0209(3) Uani 1 1 d . . . . .
O1W O 0.19376(17) -1.06864(12) 0.67213(17) 0.0240(4) Uani 1 1 d . . . . .
H1WA H 0.2026 -1.1160 0.7181 0.036 Uiso 1 1 d GR . . . .
H1WB H 0.1627 -1.0867 0.5926 0.036 Uiso 1 1 d GR . . . .
O2W O 0.47988(18) -1.12347(10) 0.82701(16) 0.0209(3) Uani 1 1 d . . . . .
H2WA H 0.4146 -1.1532 0.8469 0.031 Uiso 1 1 d GR . . . .
H2WB H 0.5248 -1.1593 0.7890 0.031 Uiso 1 1 d GR . . . .
O2 O 0.59748(19) -0.88572(11) 0.45507(17) 0.0235(4) Uani 1 1 d . . . . .
O3W O 0.56440(17) -0.92568(11) 0.87490(16) 0.0204(3) Uani 1 1 d . . . . .
H3WA H 0.6379 -0.9061 0.8526 0.031 Uiso 1 1 d GR . . . .
H3WB H 0.5961 -0.9631 0.9368 0.031 Uiso 1 1 d GR . . . .
O3 O 0.82069(19) -0.50711(10) 0.39661(17) 0.0183(4) Uani 1 1 d . . . . .
O4 O 0.76993(18) -0.61699(11) 0.26274(16) 0.0202(3) Uani 1 1 d . . . . .
O4W O 0.2433(3) -1.21285(13) 0.8544(2) 0.0385(5) Uani 1 1 d . . . . .
H4WA H 0.2387 -1.2634 0.8224 0.058 Uiso 1 1 d G . . . .
H4WB H 0.2321 -1.2199 0.9317 0.058 Uiso 1 1 d G . . . .
O5 O 0.85919(17) -0.53611(11) 0.82101(17) 0.0210(3) Uani 1 1 d . . . . .
O5W O 0.4593(7) -0.7480(4) 0.8992(6) 0.0724(17) Uani 0.5 1 d . . P . .
H5WA H 0.4779 -0.7985 0.8973 0.109 Uiso 0.5 1 d R . P . .
H5WB H 0.4811 -0.7270 0.9756 0.109 Uiso 0.5 1 d R . P . .
O6 O 0.76422(17) -0.54732(11) 0.99520(15) 0.0213(3) Uani 1 1 d . . . . .
O6W O 0.0108(2) -1.10862(19) 0.4433(3) 0.0566(7) Uani 1 1 d . . . . .
H6WA H 0.0328 -1.1346 0.3793 0.085 Uiso 1 1 d R . . . .
H6WB H -0.0724 -1.0959 0.4189 0.085 Uiso 1 1 d R . . . .
O7 O 0.9079(2) -0.77761(15) 0.7396(2) 0.0425(5) Uani 1 1 d . . . . .
O8 O 0.7984(3) -0.75016(17) 0.8886(2) 0.0522(6) Uani 1 1 d . . . . .
O9 O 0.8443(4) -0.88052(16) 0.8486(4) 0.0760(10) Uani 1 1 d . . . . .
N1 N 0.63338(19) -0.61784(12) 0.66933(17) 0.0122(3) Uani 1 1 d . . . . .
N2 N 0.8494(2) -0.80362(15) 0.8257(2) 0.0276(5) Uani 1 1 d . . . . .
C1 C 0.5666(2) -0.84267(13) 0.5439(2) 0.0136(4) Uani 1 1 d . . . . .
C2 C 0.6099(2) -0.74929(13) 0.5518(2) 0.0130(4) Uani 1 1 d . . . . .
C3 C 0.6679(2) -0.71110(14) 0.4569(2) 0.0145(4) Uani 1 1 d . . . . .
H3 H 0.6820 -0.7432 0.3861 0.017 Uiso 1 1 calc R . . . .
C4 C 0.7048(2) -0.62471(14) 0.4684(2) 0.0137(4) Uani 1 1 d . . . . .
C5 C 0.6862(2) -0.57905(14) 0.5762(2) 0.0144(4) Uani 1 1 d . . . . .
H5 H 0.7102 -0.5211 0.5847 0.017 Uiso 1 1 calc R . . . .
C6 C 0.5935(2) -0.70090(14) 0.6574(2) 0.0129(4) Uani 1 1 d . . . . .
H6 H 0.5545 -0.7258 0.7211 0.016 Uiso 1 1 calc R . . . .
C7 C 0.6250(2) -0.57045(15) 0.7898(2) 0.0154(4) Uani 1 1 d . . . . .
H7A H 0.5732 -0.6044 0.8395 0.018 Uiso 1 1 calc R . . . .
H7B H 0.5770 -0.5167 0.7662 0.018 Uiso 1 1 calc R . . . .
C8 C 0.7640(2) -0.55056(13) 0.8759(2) 0.0135(4) Uani 1 1 d . . . . .
C9 C 0.7690(2) -0.57997(14) 0.3693(2) 0.0142(4) Uani 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
Tb1 O1 2.3559(16) . ?
Tb1 O1W 2.4622(17) . ?
Tb1 O2W 2.4391(16) . ?
Tb1 O2 2.3456(16) 3_636 ?
Tb1 O3W 2.4714(16) . ?
Tb1 O3 2.5547(17) 4_546 ?
Tb1 O4 2.5238(16) 4_546 ?
Tb1 O5 2.3953(16) 2_646 ?
Tb1 O6 2.3697(16) 4_545 ?
Tb1 C9 2.893(2) 4_546 ?
O1 C1 1.249(3) . ?
O1W H1WA 0.8737 . ?
O1W H1WB 0.8736 . ?
O2W H2WA 0.8673 . ?
O2W H2WB 0.8668 . ?
O2 Tb1 2.3455(16) 3_636 ?
O2 C1 1.240(3) . ?
O3W H3WA 0.8798 . ?
O3W H3WB 0.8800 . ?
O3 Tb1 2.5548(17) 4_645 ?
O3 C9 1.253(3) . ?
O4 Tb1 2.5238(16) 4_645 ?
O4 C9 1.259(3) . ?
O4W H4WA 0.8498 . ?
O4W H4WB 0.8500 . ?
O5 Tb1 2.3953(16) 2_656 ?
O5 C8 1.244(3) . ?
O5W H5WA 0.8065 . ?
O5W H5WB 0.8500 . ?
O6 Tb1 2.3697(16) 4_646 ?
O6 C8 1.252(3) . ?
O6W H6WA 0.8522 . ?
O6W H6WB 0.8503 . ?
O7 N2 1.248(3) . ?
O8 N2 1.239(3) . ?
O9 N2 1.220(3) . ?
N1 C5 1.351(3) . ?
N1 C6 1.348(3) . ?
N1 C7 1.480(3) . ?
C1 C2 1.511(3) . ?
C2 C3 1.392(3) . ?
C2 C6 1.377(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(3) . ?
C4 C5 1.381(3) . ?
C4 C9 1.508(3) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.534(3) . ?
C9 Tb1 2.893(2) 4_645 ?

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 Tb1 O1W 139.83(6) . . ?
O1 Tb1 O2W 140.41(6) . . ?
O1 Tb1 O3W 67.45(6) . . ?
O1 Tb1 O3 116.26(5) . 4_546 ?
O1 Tb1 O4 76.50(6) . 4_546 ?
O1 Tb1 O5 76.58(6) . 2_646 ?
O1 Tb1 O6 74.62(6) . 4_545 ?
O1 Tb1 C9 95.94(6) . 4_546 ?
O1W Tb1 O3W 130.96(6) . . ?
O1W Tb1 O3 65.14(6) . 4_546 ?
O1W Tb1 O4 76.26(6) . 4_546 ?
O1W Tb1 C9 69.78(6) . 4_546 ?
O2W Tb1 O1W 79.22(6) . . ?
O2W Tb1 O3W 81.21(6) . . ?
O2W Tb1 O3 67.64(5) . 4_546 ?
O2W Tb1 O4 118.95(5) . 4_546 ?
O2W Tb1 C9 93.24(6) . 4_546 ?
O2 Tb1 O1 117.07(6) 3_636 . ?
O2 Tb1 O1W 71.76(6) 3_636 . ?
O2 Tb1 O2W 74.62(6) 3_636 . ?
O2 Tb1 O3W 142.71(6) 3_636 . ?
O2 Tb1 O3 126.47(6) 3_636 4_546 ?
O2 Tb1 O4 141.99(6) 3_636 4_546 ?
O2 Tb1 O5 72.36(6) 3_636 2_646 ?
O2 Tb1 O6 74.83(6) 3_636 4_545 ?
O2 Tb1 C9 141.20(6) 3_636 4_546 ?
O3W Tb1 O3 65.85(6) . 4_546 ?
O3W Tb1 O4 74.90(6) . 4_546 ?
O3W Tb1 C9 66.98(6) . 4_546 ?
O3 Tb1 C9 25.64(5) 4_546 4_546 ?
O4 Tb1 O3 51.32(5) 4_546 4_546 ?
O4 Tb1 C9 25.74(6) 4_546 4_546 ?
O5 Tb1 O1W 138.37(6) 2_646 . ?
O5 Tb1 O2W 71.50(6) 2_646 . ?
O5 Tb1 O3W 73.26(6) 2_646 . ?
O5 Tb1 O3 125.16(6) 2_646 4_546 ?
O5 Tb1 O4 144.23(6) 2_646 4_546 ?
O5 Tb1 C9 139.18(6) 2_646 4_546 ?
O6 Tb1 O1W 70.35(6) 4_545 . ?
O6 Tb1 O2W 142.13(6) 4_545 . ?
O6 Tb1 O3W 136.09(6) 4_545 . ?
O6 Tb1 O3 115.96(6) 4_545 4_546 ?
O6 Tb1 O4 75.48(6) 4_545 4_546 ?
O6 Tb1 O5 118.79(6) 4_545 2_646 ?
O6 Tb1 C9 96.73(6) 4_545 4_546 ?
C1 O1 Tb1 137.75(15) . . ?
Tb1 O1W H1WA 110.6 . . ?
Tb1 O1W H1WB 110.5 . . ?
H1WA O1W H1WB 103.4 . . ?
Tb1 O2W H2WA 116.3 . . ?
Tb1 O2W H2WB 110.1 . . ?
H2WA O2W H2WB 105.7 . . ?
C1 O2 Tb1 156.09(16) . 3_636 ?
Tb1 O3W H3WA 111.0 . . ?
Tb1 O3W H3WB 110.7 . . ?
H3WA O3W H3WB 103.1 . . ?
C9 O3 Tb1 92.45(13) . 4_645 ?
C9 O4 Tb1 93.76(13) . 4_645 ?
H4WA O4W H4WB 104.6 . . ?
C8 O5 Tb1 155.36(15) . 2_656 ?
H5WA O5W H5WB 112.4 . . ?
C8 O6 Tb1 137.28(15) . 4_646 ?
H6WA O6W H6WB 106.3 . . ?
C5 N1 C7 119.99(18) . . ?
C6 N1 C5 120.99(19) . . ?
C6 N1 C7 118.95(18) . . ?
O8 N2 O7 119.0(2) . . ?
O9 N2 O7 120.4(3) . . ?
O9 N2 O8 120.6(3) . . ?
O1 C1 C2 116.29(19) . . ?
O2 C1 O1 127.5(2) . . ?
O2 C1 C2 116.17(19) . . ?
C3 C2 C1 122.05(19) . . ?
C6 C2 C1 118.92(19) . . ?
C6 C2 C3 119.02(19) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.63(19) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C9 122.07(19) . . ?
C5 C4 C3 119.02(19) . . ?
C5 C4 C9 118.88(19) . . ?
N1 C5 C4 120.5(2) . . ?
N1 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
N1 C6 C2 120.74(19) . . ?
N1 C6 H6 119.6 . . ?
C2 C6 H6 119.6 . . ?
N1 C7 H7A 109.0 . . ?
N1 C7 H7B 109.0 . . ?
N1 C7 C8 113.09(18) . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
O5 C8 O6 128.2(2) . . ?
O5 C8 C7 117.84(19) . . ?
O6 C8 C7 113.88(19) . . ?
O3 C9 Tb1 61.91(12) . 4_645 ?
O3 C9 O4 122.2(2) . . ?
O3 C9 C4 118.54(19) . . ?
O4 C9 Tb1 60.51(11) . 4_645 ?
O4 C9 C4 119.25(19) . . ?
C4 C9 Tb1 174.85(15) . 4_645 ?

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
Tb1 O1 C1 O2 1.7(4) . . . . ?
Tb1 O1 C1 C2 -177.26(15) . . . . ?
Tb1 O2 C1 O1 18.6(6) 3_636 . . . ?
Tb1 O2 C1 C2 -162.4(3) 3_636 . . . ?
Tb1 O3 C9 O4 -5.3(2) 4_645 . . . ?
Tb1 O3 C9 C4 174.17(17) 4_645 . . . ?
Tb1 O4 C9 O3 5.3(2) 4_645 . . . ?
Tb1 O4 C9 C4 -174.10(17) 4_645 . . . ?
Tb1 O5 C8 O6 -0.8(5) 2_656 . . . ?
Tb1 O5 C8 C7 175.6(3) 2_656 . . . ?
Tb1 O6 C8 O5 7.8(4) 4_646 . . . ?
Tb1 O6 C8 C7 -168.74(15) 4_646 . . . ?
O1 C1 C2 C3 -174.1(2) . . . . ?
O1 C1 C2 C6 7.0(3) . . . . ?
O2 C1 C2 C3 6.8(3) . . . . ?
O2 C1 C2 C6 -172.1(2) . . . . ?
N1 C7 C8 O5 33.3(3) . . . . ?
N1 C7 C8 O6 -149.74(19) . . . . ?
C1 C2 C3 C4 179.4(2) . . . . ?
C1 C2 C6 N1 178.68(19) . . . . ?
C2 C3 C4 C5 1.7(3) . . . . ?
C2 C3 C4 C9 179.5(2) . . . . ?
C3 C2 C6 N1 -0.2(3) . . . . ?
C3 C4 C5 N1 0.3(3) . . . . ?
C3 C4 C9 O3 -167.8(2) . . . . ?
C3 C4 C9 O4 11.6(3) . . . . ?
C5 N1 C6 C2 2.2(3) . . . . ?
C5 N1 C7 C8 -66.9(3) . . . . ?
C5 C4 C9 O3 10.0(3) . . . . ?
C5 C4 C9 O4 -170.5(2) . . . . ?
C6 N1 C5 C4 -2.2(3) . . . . ?
C6 N1 C7 C8 110.1(2) . . . . ?
C6 C2 C3 C4 -1.7(3) . . . . ?
C7 N1 C5 C4 174.6(2) . . . . ?
C7 N1 C6 C2 -174.7(2) . . . . ?
C9 C4 C5 N1 -177.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
