# 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 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1839753'
_audit_update_record             
;
2018-11-13 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;
_audit_creation_date             2018-11-08
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.13(C400 H224 Cd24 N16 O128)'
_chemical_formula_sum            'C50 H28 Cd3 N2 O16'
_chemical_formula_weight         1249.94
_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'
Cd Cd -0.8075 1.2024 '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           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x-1/2, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x, -y+1/2, z-1/2'

_cell_length_a                   35.4231(18)
_cell_length_b                   27.2363(18)
_cell_length_c                   23.8741(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     23034(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    65424
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.873
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    0.721
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4912
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            65377
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.144
_diffrn_reflns_theta_max         25.144
_diffrn_reflns_theta_min         1.706
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6782
_reflns_number_total             10437
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_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    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         0.895
_refine_diff_density_min         -0.964
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         10437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0389
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0781P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1293
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C13(H13), C21(H21), C14(H14), C7(H7), C3(H3), C17(H17), C10(H10),
 C11(H11), C4(H4), C16(H16), C6(H6), C26(H26), C25(H25)
;
_atom_sites_solution_hydrogens   geom
_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
Cd1 Cd 0.15763(2) 0.11298(2) 0.20645(2) 0.04216(10) Uani 1 1 d . . . . .
Cd2 Cd 0.250000 0.13449(2) 0.250000 0.04443(12) Uani 1 2 d S T P . .
O2 O 0.18957(7) 0.13379(10) 0.28568(9) 0.0525(7) Uani 1 1 d . . . . .
C1 C 0.20202(12) 0.20412(14) 0.16404(16) 0.0554(10) Uani 1 1 d . . . . .
O1 O 0.15680(8) 0.06701(13) 0.30040(11) 0.0749(9) Uani 1 1 d . . . . .
N1 N 0.21431(13) 0.11245(12) 0.54883(13) 0.0787(12) Uani 1 1 d . . . . .
C2 C 0.20495(11) 0.25227(14) 0.13363(15) 0.0545(10) Uani 1 1 d . . . . .
O5 O 0.18108(9) 0.05708(11) 0.14889(13) 0.0774(9) Uani 1 1 d . . . . .
O3 O 0.17208(9) 0.18056(10) 0.15965(12) 0.0720(8) Uani 1 1 d . . . . .
C9 C 0.18813(11) 0.10316(14) 0.37887(14) 0.0506(9) Uani 1 1 d . . . . .
C18 C 0.26631(11) -0.00613(13) 0.63064(14) 0.0490(9) Uani 1 1 d . . . . .
C19 C 0.23571(12) 0.01677(15) 0.65362(16) 0.0647(11) Uani 1 1 d . . . . .
H19 H 0.226480 0.005883 0.687904 0.078 Uiso 1 1 calc R . . . .
C12 C 0.20551(14) 0.10915(14) 0.49231(16) 0.0627(12) Uani 1 1 d . . . . .
C5 C 0.21139(14) 0.34204(14) 0.07766(15) 0.0657(12) Uani 1 1 d . . . . .
C8 C 0.17670(11) 0.10029(17) 0.31806(15) 0.0526(10) Uani 1 1 d . . . . .
C13 C 0.21482(13) 0.14712(16) 0.45460(17) 0.0689(12) Uani 1 1 d . . . . .
H13 H 0.227125 0.175036 0.467628 0.083 Uiso 1 1 calc R . . . .
C21 C 0.21817(13) 0.05556(16) 0.62732(17) 0.0712(12) Uani 1 1 d . . . . .
H21 H 0.197378 0.070660 0.643740 0.085 Uiso 1 1 calc R . . . .
C14 C 0.20597(12) 0.14326(14) 0.39936(15) 0.0576(10) Uani 1 1 d . . . . .
H14 H 0.212314 0.168711 0.375147 0.069 Uiso 1 1 calc R . . . .
C7 C 0.23574(12) 0.28317(16) 0.14187(18) 0.0714(13) Uani 1 1 d . . . . .
H7 H 0.254648 0.273632 0.166615 0.086 Uiso 1 1 calc R . . . .
C3 C 0.17761(13) 0.26768(16) 0.09679(18) 0.0736(13) Uani 1 1 d . . . . .
H3 H 0.156687 0.247832 0.090368 0.088 Uiso 1 1 calc R . . . .
C15 C 0.23176(14) 0.07190(14) 0.57620(16) 0.0664(12) Uani 1 1 d . . . . .
C17 C 0.27934(13) 0.00964(15) 0.57991(16) 0.0675(12) Uani 1 1 d . . . . .
H17 H 0.300063 -0.005678 0.563601 0.081 Uiso 1 1 calc R . . . .
C10 C 0.17862(12) 0.06520(14) 0.41476(15) 0.0613(11) Uani 1 1 d . . . . .
H10 H 0.166377 0.037435 0.401186 0.074 Uiso 1 1 calc R . . . .
C11 C 0.18758(14) 0.06900(14) 0.47133(16) 0.0696(12) Uani 1 1 d . . . . .
H11 H 0.181142 0.043481 0.495379 0.083 Uiso 1 1 calc R . . . .
C4 C 0.18053(14) 0.31184(16) 0.06921(17) 0.0806(15) Uani 1 1 d . . . . .
H4 H 0.161559 0.321495 0.044626 0.097 Uiso 1 1 calc R . . . .
C16 C 0.26156(14) 0.04902(16) 0.55212(17) 0.0783(14) Uani 1 1 d . . . . .
H16 H 0.270280 0.059260 0.517288 0.094 Uiso 1 1 calc R . . . .
C6 C 0.23899(14) 0.32684(16) 0.11482(19) 0.0803(14) Uani 1 1 d . . . . .
H6 H 0.259914 0.346660 0.121332 0.096 Uiso 1 1 calc R . . . .
O4 O 0.23004(9) 0.19157(11) 0.19232(12) 0.0763(9) Uani 1 1 d . . . . .
O6 O 0.23283(10) 0.07068(11) 0.19591(14) 0.0871(10) Uani 1 1 d . . . . .
C22 C 0.21412(13) 0.04819(14) 0.15971(17) 0.0567(10) Uani 1 1 d . . . . .
C23 C 0.08201(15) 0.1175(2) 0.2070(3) 0.0861(17) Uani 1 1 d . . . . .
O8 O 0.09870(10) 0.14684(19) 0.2365(2) 0.1263(16) Uani 1 1 d . . . . .
C24 C 0.04060(13) 0.1187(2) 0.2068(2) 0.100(2) Uani 1 1 d . . . . .
O7 O 0.09857(10) 0.0878(2) 0.1807(2) 0.1388(18) Uani 1 1 d . . . . .
C26 C 0.02023(17) 0.1482(3) 0.2373(4) 0.159(3) Uani 1 1 d . . . . .
H26 H 0.032619 0.170459 0.260367 0.191 Uiso 1 1 calc R . . . .
C25 C 0.02031(17) 0.0860(4) 0.1792(4) 0.194(4) Uani 1 1 d . . . . .
H25 H 0.032843 0.061848 0.158850 0.233 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
Cd1 O2 2.276(2) . ?
Cd1 O1 2.569(3) . ?
Cd1 O5 2.213(3) . ?
Cd1 O3 2.213(3) . ?
Cd1 O8 2.392(4) . ?
Cd1 O7 2.286(4) . ?
Cd2 O2 2.304(3) . ?
Cd2 O2 2.304(3) 4 ?
Cd2 O4 2.194(3) . ?
Cd2 O4 2.194(3) 4 ?
Cd2 O6 2.249(3) 4 ?
Cd2 O6 2.249(3) . ?
O2 C8 1.280(5) . ?
C1 C2 1.503(5) . ?
C1 O3 1.244(4) . ?
C1 O4 1.248(4) . ?
O1 C8 1.223(5) . ?
N1 C12 1.388(5) . ?
N1 C5 1.422(5) 16_556 ?
N1 C15 1.424(5) . ?
C2 C7 1.392(5) . ?
C2 C3 1.374(5) . ?
O5 C22 1.223(5) . ?
C9 C8 1.509(5) . ?
C9 C14 1.353(5) . ?
C9 C10 1.385(5) . ?
C18 C19 1.366(5) . ?
C18 C17 1.365(5) . ?
C18 C22 1.508(5) 6_545 ?
C19 H19 0.9300 . ?
C19 C21 1.377(5) . ?
C12 C13 1.410(6) . ?
C12 C11 1.360(5) . ?
C5 C4 1.383(6) . ?
C5 C6 1.384(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.360(5) . ?
C21 H21 0.9300 . ?
C21 C15 1.385(6) . ?
C14 H14 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.358(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.375(5) . ?
C15 C16 1.354(6) . ?
C17 H17 0.9300 . ?
C17 C16 1.410(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.391(5) . ?
C11 H11 0.9300 . ?
C4 H4 0.9300 . ?
C16 H16 0.9300 . ?
C6 H6 0.9300 . ?
O6 C22 1.250(5) . ?
C23 O8 1.218(6) . ?
C23 C24 1.467(7) . ?
C23 O7 1.181(6) . ?
C24 C26 1.302(8) . ?
C24 C25 1.321(9) . ?
C26 C26 1.433(12) 11 ?
C26 H26 0.9300 . ?
C25 C25 1.439(12) 11 ?
C25 H25 0.9300 . ?

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
O2 Cd1 O1 53.23(9) . . ?
O2 Cd1 O8 95.08(13) . . ?
O2 Cd1 O7 138.90(14) . . ?
O5 Cd1 O2 120.07(11) . . ?
O5 Cd1 O1 102.19(11) . . ?
O5 Cd1 O3 99.90(12) . . ?
O5 Cd1 O8 141.16(14) . . ?
O5 Cd1 O7 88.27(15) . . ?
O3 Cd1 O2 95.60(10) . . ?
O3 Cd1 O1 148.08(11) . . ?
O3 Cd1 O8 91.87(15) . . ?
O3 Cd1 O7 108.97(17) . . ?
O8 Cd1 O1 85.18(14) . . ?
O7 Cd1 O1 94.50(16) . . ?
O7 Cd1 O8 52.97(16) . . ?
O2 Cd2 O2 179.05(14) . 4 ?
O4 Cd2 O2 94.20(10) 4 . ?
O4 Cd2 O2 94.20(10) . 4 ?
O4 Cd2 O2 86.47(10) . . ?
O4 Cd2 O2 86.47(10) 4 4 ?
O4 Cd2 O4 89.75(17) 4 . ?
O4 Cd2 O6 174.37(12) 4 . ?
O4 Cd2 O6 174.37(12) . 4 ?
O4 Cd2 O6 95.74(13) 4 4 ?
O4 Cd2 O6 95.74(13) . . ?
O6 Cd2 O2 91.87(11) 4 . ?
O6 Cd2 O2 87.40(11) . . ?
O6 Cd2 O2 87.40(11) 4 4 ?
O6 Cd2 O2 91.87(11) . 4 ?
O6 Cd2 O6 78.80(18) . 4 ?
Cd1 O2 Cd2 99.01(9) . . ?
C8 O2 Cd1 98.5(2) . . ?
C8 O2 Cd2 124.1(2) . . ?
O3 C1 C2 117.9(4) . . ?
O3 C1 O4 125.6(4) . . ?
O4 C1 C2 116.4(4) . . ?
C8 O1 Cd1 86.2(2) . . ?
C12 N1 C5 120.7(3) . 16_556 ?
C12 N1 C15 119.6(3) . . ?
C5 N1 C15 119.0(3) 16_556 . ?
C7 C2 C1 120.9(3) . . ?
C3 C2 C1 121.8(4) . . ?
C3 C2 C7 117.3(4) . . ?
C22 O5 Cd1 111.4(3) . . ?
C1 O3 Cd1 125.7(3) . . ?
C14 C9 C8 121.0(4) . . ?
C14 C9 C10 119.5(3) . . ?
C10 C9 C8 119.4(4) . . ?
C19 C18 C22 121.8(4) . 6_545 ?
C17 C18 C19 118.7(4) . . ?
C17 C18 C22 119.5(4) . 6_545 ?
C18 C19 H19 119.2 . . ?
C18 C19 C21 121.7(4) . . ?
C21 C19 H19 119.2 . . ?
N1 C12 C13 121.4(4) . . ?
C11 C12 N1 121.0(4) . . ?
C11 C12 C13 117.6(3) . . ?
C4 C5 N1 120.4(4) . 16 ?
C4 C5 C6 118.3(4) . . ?
C6 C5 N1 121.3(4) . 16 ?
O2 C8 C9 116.6(4) . . ?
O1 C8 O2 121.7(3) . . ?
O1 C8 C9 121.6(4) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.6(4) . . ?
C14 C13 H13 119.7 . . ?
C19 C21 H21 120.3 . . ?
C19 C21 C15 119.4(4) . . ?
C15 C21 H21 120.3 . . ?
C9 C14 C13 121.4(4) . . ?
C9 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C2 C7 H7 119.0 . . ?
C6 C7 C2 121.9(4) . . ?
C6 C7 H7 119.0 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(4) . . ?
C4 C3 H3 119.3 . . ?
C21 C15 N1 120.2(4) . . ?
C16 C15 N1 120.0(4) . . ?
C16 C15 C21 119.8(4) . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(4) . . ?
C16 C17 H17 119.8 . . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.3(4) . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 121.6(4) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.7(4) . . ?
C3 C4 H4 119.7 . . ?
C15 C16 C17 119.9(4) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.5(4) . . ?
C7 C6 H6 119.8 . . ?
C1 O4 Cd2 142.2(3) . . ?
C22 O6 Cd2 156.9(3) . . ?
O5 C22 C18 119.5(4) . 6_544 ?
O5 C22 O6 123.8(4) . . ?
O6 C22 C18 116.6(4) . 6_544 ?
O8 C23 Cd1 63.1(3) . . ?
O8 C23 C24 118.2(6) . . ?
C24 C23 Cd1 178.6(5) . . ?
O7 C23 Cd1 58.0(3) . . ?
O7 C23 O8 121.1(5) . . ?
O7 C23 C24 120.7(6) . . ?
C23 O8 Cd1 89.9(4) . . ?
C26 C24 C23 124.5(6) . . ?
C26 C24 C25 113.2(5) . . ?
C25 C24 C23 122.0(6) . . ?
C23 O7 Cd1 96.1(4) . . ?
C24 C26 C26 123.7(4) . 11 ?
C24 C26 H26 118.2 . . ?
C26 C26 H26 118.2 11 . ?
C24 C25 C25 123.0(4) . 11 ?
C24 C25 H25 118.5 . . ?
C25 C25 H25 118.5 11 . ?

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
Cd1 O2 C8 O1 7.2(4) . . . . ?
Cd1 O2 C8 C9 -174.4(3) . . . . ?
Cd1 O1 C8 O2 -6.3(4) . . . . ?
Cd1 O1 C8 C9 175.3(3) . . . . ?
Cd1 O5 C22 C18 171.5(2) . . . 6_544 ?
Cd1 O5 C22 O6 -5.1(5) . . . . ?
Cd2 O2 C8 O1 -99.8(4) . . . . ?
Cd2 O2 C8 C9 78.7(4) . . . . ?
Cd2 O6 C22 O5 -29.4(10) . . . . ?
Cd2 O6 C22 C18 153.9(6) . . . 6_544 ?
C1 C2 C7 C6 180.0(4) . . . . ?
C1 C2 C3 C4 179.9(4) . . . . ?
N1 C12 C13 C14 -180.0(4) . . . . ?
N1 C12 C11 C10 -179.9(4) . . . . ?
N1 C5 C4 C3 179.7(4) 16 . . . ?
N1 C5 C6 C7 -179.8(4) 16 . . . ?
N1 C15 C16 C17 178.5(4) . . . . ?
C2 C1 O3 Cd1 -173.2(2) . . . . ?
C2 C1 O4 Cd2 175.9(3) . . . . ?
C2 C7 C6 C5 -0.1(8) . . . . ?
C2 C3 C4 C5 0.3(8) . . . . ?
O3 C1 C2 C7 172.4(4) . . . . ?
O3 C1 C2 C3 -7.5(6) . . . . ?
O3 C1 O4 Cd2 -3.1(7) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C18 C19 C21 C15 0.1(7) . . . . ?
C18 C17 C16 C15 1.1(7) . . . . ?
C19 C18 C17 C16 0.4(6) . . . . ?
C19 C21 C15 N1 -179.1(4) . . . . ?
C19 C21 C15 C16 1.4(7) . . . . ?
C12 N1 C15 C21 -132.7(5) . . . . ?
C12 N1 C15 C16 46.9(7) . . . . ?
C12 C13 C14 C9 -0.1(7) . . . . ?
C5 N1 C12 C13 37.9(7) 16_556 . . . ?
C5 N1 C12 C11 -142.2(5) 16_556 . . . ?
C5 N1 C15 C21 56.6(6) 16_556 . . . ?
C5 N1 C15 C16 -123.8(5) 16_556 . . . ?
C8 C9 C14 C13 176.9(4) . . . . ?
C8 C9 C10 C11 -176.9(4) . . . . ?
C13 C12 C11 C10 0.0(7) . . . . ?
C21 C15 C16 C17 -1.9(7) . . . . ?
C14 C9 C8 O2 10.2(5) . . . . ?
C14 C9 C8 O1 -171.4(4) . . . . ?
C14 C9 C10 C11 0.1(6) . . . . ?
C7 C2 C3 C4 0.0(7) . . . . ?
C3 C2 C7 C6 -0.1(7) . . . . ?
C15 N1 C12 C13 -132.6(5) . . . . ?
C15 N1 C12 C11 47.3(7) . . . . ?
C17 C18 C19 C21 -0.9(6) . . . . ?
C10 C9 C8 O2 -172.9(4) . . . . ?
C10 C9 C8 O1 5.5(6) . . . . ?
C10 C9 C14 C13 0.0(6) . . . . ?
C11 C12 C13 C14 0.1(7) . . . . ?
C4 C5 C6 C7 0.4(7) . . . . ?
C6 C5 C4 C3 -0.5(7) . . . . ?
O4 C1 C2 C7 -6.7(6) . . . . ?
O4 C1 C2 C3 173.4(4) . . . . ?
O4 C1 O3 Cd1 5.8(6) . . . . ?
C22 C18 C19 C21 179.2(4) 6_545 . . . ?
C22 C18 C17 C16 -179.8(4) 6_545 . . . ?
C23 C24 C26 C26 -178.7(4) . . . 11 ?
C23 C24 C25 C25 178.9(4) . . . 11 ?
O8 C23 C24 C26 -2.1(10) . . . . ?
O8 C23 C24 C25 -175.1(8) . . . . ?
O8 C23 O7 Cd1 -1.9(7) . . . . ?
C24 C23 O8 Cd1 179.5(5) . . . . ?
C24 C23 O7 Cd1 -179.5(5) . . . . ?
O7 C23 O8 Cd1 1.8(7) . . . . ?
O7 C23 C24 C26 175.5(8) . . . . ?
O7 C23 C24 C25 2.6(11) . . . . ?
C26 C24 C25 C25 5.2(9) . . . 11 ?
C25 C24 C26 C26 -5.3(9) . . . 11 ?

_olex2_submission_special_instructions 'No special instructions were received'
