# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2456368'
loop_
_audit_author_name
_audit_author_address
'Yan Wang'
;Anqing Normal University
China
;
_audit_update_record             
;
2026-03-20 deposited with the CCDC.	2026-03-31 downloaded from the CCDC.
;
_audit_creation_date             2026-03-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7521)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H32 Cd N4 O4, 5(H2 O)'
_chemical_formula_sum            'C33 H42 Cd N4 O9'
_chemical_formula_weight         751.10
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9413(5)
_cell_length_b                   12.4268(5)
_cell_length_c                   12.4788(4)
_cell_angle_alpha                76.9542(10)
_cell_angle_beta                 88.8155(11)
_cell_angle_gamma                71.1537(11)
_cell_volume                     1704.51(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      27.402
_cell_measurement_theta_min      2.715
_shelx_estimated_absorpt_T_max   0.873
_shelx_estimated_absorpt_T_min   0.873
_exptl_absorpt_coefficient_mu    0.699
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1329 before and 0.0753 after correction.
The Ratio of minimum to maximum transmission is 0.8401.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1565
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            41214
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.080
_diffrn_ambient_temperature      301.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5219
_reflns_number_total             5931
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         5931
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      1.049
_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)+(0.0516P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.0987
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C27(H27A,H27B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C13(H13),
 C19(H19), C24(H24), C25(H25), C30(H30), C31(H31)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C26(H26A,H26B,H26C), C29(H29A,H29B,H29C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.33316(2) 0.82013(2) 0.07257(2) 0.03666(10) Uani 1 1 d . . . . .
O1 O 0.3294(3) 0.6687(3) 0.2249(2) 0.0751(8) Uani 1 1 d . . . . .
O2 O 0.1646(2) 0.7677(2) 0.1286(2) 0.0662(7) Uani 1 1 d . . . . .
O3 O 0.4853(2) 0.6580(2) -0.0134(2) 0.0582(6) Uani 1 1 d . . . . .
O4 O 0.5318(2) 0.7557(2) 0.0949(2) 0.0561(6) Uani 1 1 d . . . . .
N1 N 0.3317(3) 0.9797(3) 0.1369(3) 0.0577(7) Uani 1 1 d . . . . .
N2 N 0.2985(3) 1.1283(2) 0.2145(2) 0.0540(7) Uani 1 1 d . . . . .
N3 N 0.2652(2) 0.9209(2) 0.90198(19) 0.0397(5) Uani 1 1 d . . . . .
N4 N 0.2181(3) 0.9660(2) 0.7250(2) 0.0467(6) Uani 1 1 d . . . . .
C1 C 0.1552(3) 0.6296(3) 0.2911(2) 0.0434(7) Uani 1 1 d . . . . .
C2 C 0.0326(3) 0.6695(3) 0.2887(3) 0.0448(7) Uani 1 1 d . . . . .
H2 H -0.009970 0.731219 0.231986 0.054 Uiso 1 1 calc R U . . .
C3 C -0.0271(3) 0.6181(3) 0.3702(3) 0.0439(7) Uani 1 1 d . . . . .
H3 H -0.109519 0.646477 0.367087 0.053 Uiso 1 1 calc R U . . .
C4 C 0.0319(3) 0.5263(3) 0.4555(2) 0.0391(6) Uani 1 1 d . . . . .
C5 C 0.1550(3) 0.4848(3) 0.4547(3) 0.0589(9) Uani 1 1 d . . . . .
H5 H 0.197667 0.421059 0.509598 0.071 Uiso 1 1 calc R U . . .
C6 C 0.2150(3) 0.5361(3) 0.3744(3) 0.0619(9) Uani 1 1 d . . . . .
H6 H 0.297274 0.506998 0.376608 0.074 Uiso 1 1 calc R U . . .
C7 C 0.2186(3) 0.6924(3) 0.2086(3) 0.0482(8) Uani 1 1 d . . . . .
C8 C 0.9355(2) 0.5263(2) 0.0048(2) 0.0334(6) Uani 1 1 d . . . . .
C9 C 0.8536(3) 0.4797(3) -0.0277(3) 0.0479(8) Uani 1 1 d . . . . .
H9 H 0.880538 0.413479 -0.056357 0.057 Uiso 1 1 calc R U . . .
C10 C 0.7342(3) 0.5290(3) -0.0184(3) 0.0501(8) Uani 1 1 d . . . . .
H10 H 0.682042 0.495865 -0.041413 0.060 Uiso 1 1 calc R U . . .
C11 C 0.6897(3) 0.6268(2) 0.0243(2) 0.0392(6) Uani 1 1 d . . . . .
C12 C 0.7703(3) 0.6714(3) 0.0581(3) 0.0565(9) Uani 1 1 d . . . . .
H12 H 0.743061 0.736539 0.088268 0.068 Uiso 1 1 calc R U . . .
C13 C 0.8909(3) 0.6228(3) 0.0488(3) 0.0510(8) Uani 1 1 d . . . . .
H13 H 0.942649 0.655754 0.072657 0.061 Uiso 1 1 calc R U . . .
C14 C 0.5606(3) 0.6822(3) 0.0351(3) 0.0454(7) Uani 1 1 d . . . . .
C15 C 0.1624(3) 1.1938(3) 0.3614(2) 0.0432(7) Uani 1 1 d . . . . .
C16 C 0.2123(3) 1.0991(3) 0.4511(3) 0.0520(8) Uani 1 1 d . . . . .
C17 C 0.1397(4) 1.0670(3) 0.5320(3) 0.0534(9) Uani 1 1 d . . . . .
C18 C 0.0202(4) 1.1338(3) 0.5303(3) 0.0519(8) Uani 1 1 d . . . . .
C19 C -0.0241(3) 1.2314(3) 0.4451(3) 0.0489(8) Uani 1 1 d . . . . .
H19 H -0.102451 1.278592 0.445224 0.059 Uiso 1 1 calc R U . . .
C20 C 0.0433(3) 1.2614(3) 0.3596(2) 0.0435(7) Uani 1 1 d . . . . .
C21 C 0.2369(3) 1.2240(3) 0.2657(3) 0.0528(8) Uani 1 1 d . . . . .
H21A H 0.185529 1.287264 0.209750 0.063 Uiso 1 1 calc R U . . .
H21B H 0.295183 1.252537 0.292070 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2511(3) 1.0632(3) 0.1692(3) 0.0498(8) Uani 1 1 d . . . . .
C23 C 0.1204(3) 1.0908(3) 0.1501(3) 0.0562(8) Uani 1 1 d . . . . .
H23A H 0.089276 1.162883 0.095774 0.084 Uiso 1 1 calc R U . . .
H23B H 0.082306 1.098300 0.217849 0.084 Uiso 1 1 calc R U . . .
H23C H 0.105860 1.028972 0.124609 0.084 Uiso 1 1 calc R U . . .
C24 C 0.4393(3) 0.9932(4) 0.1630(4) 0.0692(11) Uani 1 1 d . . . . .
H24 H 0.514042 0.945238 0.150918 0.083 Uiso 1 1 calc R U . . .
C25 C 0.4188(4) 1.0825(4) 0.2065(4) 0.0698(11) Uani 1 1 d . . . . .
H25 H 0.475661 1.110800 0.228416 0.084 Uiso 1 1 calc R U . . .
C26 C 0.3443(4) 1.0341(4) 0.4599(4) 0.0776(12) Uani 1 1 d . . . . .
H26A H 0.361413 0.977379 0.415660 0.116 Uiso 1 1 calc R U . . .
H26B H 0.369067 0.995299 0.535348 0.116 Uiso 1 1 calc R U . . .
H26C H 0.386019 1.088547 0.434199 0.116 Uiso 1 1 calc R U . . .
C27 C 0.1855(4) 0.9526(3) 0.6175(3) 0.0679(11) Uani 1 1 d . . . . .
H27A H 0.124987 0.915239 0.626721 0.081 Uiso 1 1 calc R U . . .
H27B H 0.254324 0.901441 0.590571 0.081 Uiso 1 1 calc R U . . .
C28 C 0.2358(3) 0.8830(2) 0.8190(2) 0.0399(6) Uani 1 1 d . . . . .
C29 C 0.2233(4) 0.7661(3) 0.8282(3) 0.0570(9) Uani 1 1 d . . . . .
H29A H 0.238420 0.723006 0.903602 0.086 Uiso 1 1 calc R U . . .
H29B H 0.279080 0.724413 0.783182 0.086 Uiso 1 1 calc R U . . .
H29C H 0.144256 0.775480 0.803820 0.086 Uiso 1 1 calc R U . . .
C30 C 0.2665(3) 1.0313(3) 0.8587(3) 0.0486(8) Uani 1 1 d . . . . .
H30 H 0.284139 1.079317 0.898428 0.058 Uiso 1 1 calc R U . . .
C31 C 0.2385(4) 1.0604(3) 0.7503(3) 0.0587(9) Uani 1 1 d . . . . .
H31 H 0.233672 1.130731 0.701707 0.070 Uiso 1 1 calc R U . . .
C32 C -0.0598(5) 1.1023(4) 0.6177(3) 0.0718(12) Uani 1 1 d . . . . .
H32A H -0.066046 1.027565 0.616112 0.108 Uiso 1 1 calc R U . . .
H32B H -0.137052 1.160471 0.604035 0.108 Uiso 1 1 calc R U . . .
H32C H -0.027536 1.098803 0.688689 0.108 Uiso 1 1 calc R U . . .
C33 C -0.0144(3) 1.3676(3) 0.2681(3) 0.0542(8) Uani 1 1 d . . . . .
H33A H 0.031134 1.419796 0.259257 0.081 Uiso 1 1 calc R U . . .
H33B H -0.093274 1.406750 0.286339 0.081 Uiso 1 1 calc R U . . .
H33C H -0.017594 1.343562 0.200641 0.081 Uiso 1 1 calc R U . . .
O1W O 0.5012(5) 0.2450(4) 0.3682(4) 0.151(2) Uani 1 1 d . . . . .
H1WA H 0.526287 0.257422 0.425946 0.181 Uiso 1 1 d R U . . .
H1WB H 0.499028 0.301873 0.314646 0.181 Uiso 1 1 d R U . . .
O2W O 0.6364(4) 0.6911(5) 0.3234(4) 0.1428(17) Uani 1 1 d . . . . .
H2WA H 0.606131 0.716707 0.257788 0.171 Uiso 1 1 d R U . . .
H2WB H 0.647051 0.618248 0.342088 0.171 Uiso 1 1 d R U . . .
O3W O 0.4117(7) 0.6908(8) 0.4391(5) 0.215(4) Uani 1 1 d . . . . .
H3WA H 0.374942 0.684569 0.384417 0.258 Uiso 1 1 d R U . . .
H3WB H 0.480012 0.692029 0.419507 0.258 Uiso 1 1 d R U . . .
O4W O 0.3339(5) 0.5613(5) 0.6339(4) 0.155(2) Uani 1 1 d . . . . .
H4WA H 0.352627 0.598709 0.574402 0.187 Uiso 1 1 d R U . . .
H4WB H 0.380987 0.557529 0.685862 0.187 Uiso 1 1 d R U . . .
O5W O 0.4992(3) 0.5591(3) 0.7948(3) 0.0928(10) Uani 1 1 d . . . . .
H5WA H 0.548989 0.478781 0.810642 0.111 Uiso 1 1 d R U . . .
H5WB H 0.505828 0.591321 0.856512 0.111 Uiso 1 1 d 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
Cd1 O1 2.365(3) . ?
Cd1 O2 2.355(2) . ?
Cd1 O4 2.246(2) . ?
Cd1 N1 2.297(3) . ?
Cd1 N3 2.229(2) 1_554 ?
Cd1 C7 2.713(3) . ?
O1 C7 1.269(4) . ?
O2 C7 1.226(4) . ?
O3 C14 1.243(4) . ?
O4 C14 1.266(4) . ?
N1 C22 1.301(5) . ?
N1 C24 1.401(5) . ?
N2 C21 1.457(4) . ?
N2 C22 1.345(4) . ?
N2 C25 1.374(5) . ?
N3 C28 1.327(4) . ?
N3 C30 1.361(4) . ?
N4 C27 1.464(4) . ?
N4 C28 1.345(4) . ?
N4 C31 1.375(4) . ?
C1 C2 1.384(5) . ?
C1 C6 1.374(5) . ?
C1 C7 1.494(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.386(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(5) . ?
C4 C4 1.484(6) 2_566 ?
C4 C5 1.392(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(5) . ?
C6 H6 0.9300 . ?
C8 C8 1.481(5) 2_765 ?
C8 C9 1.395(4) . ?
C8 C13 1.377(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.372(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(4) . ?
C11 C12 1.371(5) . ?
C11 C14 1.490(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(5) . ?
C13 H13 0.9300 . ?
C15 C16 1.404(4) . ?
C15 C20 1.396(5) . ?
C15 C21 1.525(5) . ?
C16 C17 1.391(5) . ?
C16 C26 1.514(6) . ?
C17 C18 1.398(6) . ?
C17 C27 1.515(4) . ?
C18 C19 1.381(5) . ?
C18 C32 1.503(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.381(5) . ?
C20 C33 1.511(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.497(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24 0.9300 . ?
C24 C25 1.295(6) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.486(4) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30 0.9300 . ?
C30 C31 1.338(5) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8501 . ?
O3W H3WA 0.8501 . ?
O3W H3WB 0.8500 . ?
O4W H4WA 0.8501 . ?
O4W H4WB 0.8501 . ?
O5W H5WA 0.9600 . ?
O5W H5WB 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
O1 Cd1 C7 27.87(10) . . ?
O2 Cd1 O1 54.66(9) . . ?
O2 Cd1 C7 26.83(10) . . ?
O4 Cd1 O1 88.62(10) . . ?
O4 Cd1 O2 142.24(10) . . ?
O4 Cd1 N1 88.46(10) . . ?
O4 Cd1 C7 116.25(10) . . ?
N1 Cd1 O1 108.41(11) . . ?
N1 Cd1 O2 109.67(10) . . ?
N1 Cd1 C7 110.49(10) . . ?
N3 Cd1 O1 148.18(10) 1_554 . ?
N3 Cd1 O2 97.96(9) 1_554 . ?
N3 Cd1 O4 113.48(9) 1_554 . ?
N3 Cd1 N1 95.35(10) 1_554 . ?
N3 Cd1 C7 123.69(10) 1_554 . ?
C7 O1 Cd1 91.5(2) . . ?
C7 O2 Cd1 93.1(2) . . ?
C14 O4 Cd1 102.0(2) . . ?
C22 N1 Cd1 135.4(3) . . ?
C22 N1 C24 104.6(3) . . ?
C24 N1 Cd1 119.6(2) . . ?
C22 N2 C21 127.7(3) . . ?
C22 N2 C25 105.5(3) . . ?
C25 N2 C21 126.8(3) . . ?
C28 N3 Cd1 128.66(19) . 1_556 ?
C28 N3 C30 106.4(2) . . ?
C30 N3 Cd1 124.1(2) . 1_556 ?
C28 N4 C27 124.4(3) . . ?
C28 N4 C31 107.1(2) . . ?
C31 N4 C27 128.4(3) . . ?
C2 C1 C7 119.8(3) . . ?
C6 C1 C2 118.1(3) . . ?
C6 C1 C7 121.9(3) . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 121.9(3) . . ?
C4 C3 H3 119.0 . . ?
C3 C4 C4 121.9(4) . 2_566 ?
C3 C4 C5 116.9(3) . . ?
C5 C4 C4 121.2(4) . 2_566 ?
C4 C5 H5 119.3 . . ?
C6 C5 C4 121.4(3) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C5 121.1(3) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
O1 C7 Cd1 60.62(17) . . ?
O1 C7 C1 118.5(3) . . ?
O2 C7 Cd1 60.07(17) . . ?
O2 C7 O1 120.6(3) . . ?
O2 C7 C1 120.9(3) . . ?
C1 C7 Cd1 174.3(2) . . ?
C9 C8 C8 122.1(3) . 2_765 ?
C13 C8 C8 121.1(3) . 2_765 ?
C13 C8 C9 116.7(3) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.7(3) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 119.3 . . ?
C9 C10 C11 121.4(3) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C14 122.5(3) . . ?
C12 C11 C10 117.0(3) . . ?
C12 C11 C14 120.5(3) . . ?
C11 C12 H12 118.9 . . ?
C11 C12 C13 122.2(3) . . ?
C13 C12 H12 118.9 . . ?
C8 C13 C12 121.0(3) . . ?
C8 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
O3 C14 O4 122.0(3) . . ?
O3 C14 C11 121.3(3) . . ?
O4 C14 C11 116.7(3) . . ?
C16 C15 C21 120.8(3) . . ?
C20 C15 C16 119.8(3) . . ?
C20 C15 C21 119.4(3) . . ?
C15 C16 C26 120.0(4) . . ?
C17 C16 C15 119.4(3) . . ?
C17 C16 C26 120.6(3) . . ?
C16 C17 C18 120.9(3) . . ?
C16 C17 C27 120.5(4) . . ?
C18 C17 C27 118.3(4) . . ?
C17 C18 C32 122.0(3) . . ?
C19 C18 C17 118.1(3) . . ?
C19 C18 C32 119.9(4) . . ?
C18 C19 H19 118.7 . . ?
C20 C19 C18 122.5(3) . . ?
C20 C19 H19 118.7 . . ?
C15 C20 C33 122.5(3) . . ?
C19 C20 C15 118.9(3) . . ?
C19 C20 C33 118.6(3) . . ?
N2 C21 C15 115.5(3) . . ?
N2 C21 H21A 108.4 . . ?
N2 C21 H21B 108.4 . . ?
C15 C21 H21A 108.4 . . ?
C15 C21 H21B 108.4 . . ?
H21A C21 H21B 107.5 . . ?
N1 C22 N2 112.1(3) . . ?
N1 C22 C23 124.4(3) . . ?
N2 C22 C23 123.3(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24 125.2 . . ?
C25 C24 N1 109.6(4) . . ?
C25 C24 H24 125.2 . . ?
N2 C25 H25 125.9 . . ?
C24 C25 N2 108.2(3) . . ?
C24 C25 H25 125.9 . . ?
C16 C26 H26A 109.5 . . ?
C16 C26 H26B 109.5 . . ?
C16 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N4 C27 C17 113.8(3) . . ?
N4 C27 H27A 108.8 . . ?
N4 C27 H27B 108.8 . . ?
C17 C27 H27A 108.8 . . ?
C17 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
N3 C28 N4 110.2(2) . . ?
N3 C28 C29 125.1(3) . . ?
N4 C28 C29 124.7(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N3 C30 H30 125.1 . . ?
C31 C30 N3 109.7(3) . . ?
C31 C30 H30 125.1 . . ?
N4 C31 H31 126.7 . . ?
C30 C31 N4 106.6(3) . . ?
C30 C31 H31 126.7 . . ?
C18 C32 H32A 109.5 . . ?
C18 C32 H32B 109.5 . . ?
C18 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C20 C33 H33A 109.5 . . ?
C20 C33 H33B 109.5 . . ?
C20 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
H1WA O1W H1WB 108.2 . . ?
H2WA O2W H2WB 108.2 . . ?
H3WA O3W H3WB 108.0 . . ?
H4WA O4W H4WB 108.2 . . ?
H5WA O5W H5WB 108.7 . . ?

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 O1 C7 O2 4.1(3) . . . . ?
Cd1 O1 C7 C1 -173.6(2) . . . . ?
Cd1 O2 C7 O1 -4.2(3) . . . . ?
Cd1 O2 C7 C1 173.5(2) . . . . ?
Cd1 O4 C14 O3 -3.2(4) . . . . ?
Cd1 O4 C14 C11 176.0(2) . . . . ?
Cd1 N1 C22 N2 171.3(2) . . . . ?
Cd1 N1 C22 C23 -13.5(6) . . . . ?
Cd1 N1 C24 C25 -174.5(3) . . . . ?
Cd1 N3 C28 N4 -169.6(2) 1_556 . . . ?
Cd1 N3 C28 C29 10.7(5) 1_556 . . . ?
Cd1 N3 C30 C31 169.8(3) 1_556 . . . ?
N1 C24 C25 N2 2.2(5) . . . . ?
N3 C30 C31 N4 0.5(4) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C2 C1 C6 C5 -1.3(5) . . . . ?
C2 C1 C7 O1 166.6(3) . . . . ?
C2 C1 C7 O2 -11.1(5) . . . . ?
C2 C3 C4 C4 178.1(3) . . . 2_566 ?
C2 C3 C4 C5 -1.8(5) . . . . ?
C3 C4 C5 C6 2.3(5) . . . . ?
C4 C4 C5 C6 -177.6(4) 2_566 . . . ?
C4 C5 C6 C1 -0.8(6) . . . . ?
C6 C1 C2 C3 1.8(5) . . . . ?
C6 C1 C7 O1 -9.7(5) . . . . ?
C6 C1 C7 O2 172.6(3) . . . . ?
C7 C1 C2 C3 -174.6(3) . . . . ?
C7 C1 C6 C5 175.0(3) . . . . ?
C8 C8 C9 C10 180.0(3) 2_765 . . . ?
C8 C8 C13 C12 -179.7(4) 2_765 . . . ?
C8 C9 C10 C11 -0.5(6) . . . . ?
C9 C8 C13 C12 -1.1(5) . . . . ?
C9 C10 C11 C12 -0.7(5) . . . . ?
C9 C10 C11 C14 179.9(3) . . . . ?
C10 C11 C12 C13 1.0(6) . . . . ?
C10 C11 C14 O3 -14.6(5) . . . . ?
C10 C11 C14 O4 166.2(3) . . . . ?
C11 C12 C13 C8 -0.1(6) . . . . ?
C12 C11 C14 O3 166.0(3) . . . . ?
C12 C11 C14 O4 -13.2(5) . . . . ?
C13 C8 C9 C10 1.3(5) . . . . ?
C14 C11 C12 C13 -179.6(3) . . . . ?
C15 C16 C17 C18 -5.7(4) . . . . ?
C15 C16 C17 C27 168.4(3) . . . . ?
C16 C15 C20 C19 -1.9(4) . . . . ?
C16 C15 C20 C33 177.3(3) . . . . ?
C16 C15 C21 N2 53.5(4) . . . . ?
C16 C17 C18 C19 1.1(4) . . . . ?
C16 C17 C18 C32 -179.0(3) . . . . ?
C16 C17 C27 N4 102.1(4) . . . . ?
C17 C18 C19 C20 3.2(4) . . . . ?
C18 C17 C27 N4 -83.6(4) . . . . ?
C18 C19 C20 C15 -2.8(4) . . . . ?
C18 C19 C20 C33 178.0(3) . . . . ?
C20 C15 C16 C17 6.1(4) . . . . ?
C20 C15 C16 C26 -173.0(3) . . . . ?
C20 C15 C21 N2 -126.5(3) . . . . ?
C21 N2 C22 N1 -175.9(3) . . . . ?
C21 N2 C22 C23 8.9(5) . . . . ?
C21 N2 C25 C24 175.2(4) . . . . ?
C21 C15 C16 C17 -174.0(3) . . . . ?
C21 C15 C16 C26 6.9(4) . . . . ?
C21 C15 C20 C19 178.1(3) . . . . ?
C21 C15 C20 C33 -2.7(4) . . . . ?
C22 N1 C24 C25 -1.1(5) . . . . ?
C22 N2 C21 C15 57.0(5) . . . . ?
C22 N2 C25 C24 -2.5(5) . . . . ?
C24 N1 C22 N2 -0.5(4) . . . . ?
C24 N1 C22 C23 174.7(3) . . . . ?
C25 N2 C21 C15 -120.2(4) . . . . ?
C25 N2 C22 N1 1.8(4) . . . . ?
C25 N2 C22 C23 -173.5(3) . . . . ?
C26 C16 C17 C18 173.4(3) . . . . ?
C26 C16 C17 C27 -12.5(5) . . . . ?
C27 N4 C28 N3 179.4(3) . . . . ?
C27 N4 C28 C29 -0.8(6) . . . . ?
C27 N4 C31 C30 -179.5(4) . . . . ?
C27 C17 C18 C19 -173.1(3) . . . . ?
C27 C17 C18 C32 6.8(4) . . . . ?
C28 N3 C30 C31 -0.2(4) . . . . ?
C28 N4 C27 C17 164.7(3) . . . . ?
C28 N4 C31 C30 -0.5(4) . . . . ?
C30 N3 C28 N4 -0.1(4) . . . . ?
C30 N3 C28 C29 -179.9(3) . . . . ?
C31 N4 C27 C17 -16.5(6) . . . . ?
C31 N4 C28 N3 0.4(4) . . . . ?
C31 N4 C28 C29 -179.9(3) . . . . ?
C32 C18 C19 C20 -176.7(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
