# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_DG1
_database_code_depnum_ccdc_archive 'CCDC 2350436'
loop_
_audit_author_name
_audit_author_address
'Debajyoti Ghoshal'
;Jadavpur University
India
;
_audit_update_record             
;
2024-04-23 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_DG1                 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O2W Check 
RESPONSE: Due to disorderness, hydrogen can not be placed here. However, it 
represents the best possible structure.
;
# end Validation Reply Form
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H16 Cd N4 O11'
_chemical_formula_weight         600.77

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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8854(3)
_cell_length_b                   11.7229(3)
_cell_length_c                   13.7032(4)
_cell_angle_alpha                103.1430(10)
_cell_angle_beta                 95.8910(10)
_cell_angle_gamma                103.4270(10)
_cell_volume                     1333.65(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    250
_cell_measurement_theta_min      2.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    0.878
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_process_details   
;
'XPREP' - A PROGRAM DATA PREPARATION & RECIPROCAL 
SPACE EXPLORATION,
Bruker Analytical X-ray Systems, 1997
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46437
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.625
_diffrn_reflns_theta_max         27.542
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6149
_reflns_number_gt                5791
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'SMART APEX II (Bruker,2010)'
_computing_cell_refinement       'SMART APEX II'
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep-3v2 for windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2008)'
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0324P)²+1.2895P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6149
_refine_ls_number_parameters     323
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0338
_refine_ls_wR_factor_ref         0.0851
_refine_ls_wR_factor_gt          0.0836
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_restrained_S_all      1.233
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.3097(4) 0.5217(3) 0.5939(2) 0.0445(8) Uani 1 1 d . . . . .
H1 H 0.328256 0.507528 0.657578 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3670(4) 0.6415(3) 0.4864(2) 0.0493(9) Uani 1 1 d . . . . .
H2 H 0.424154 0.712558 0.474254 0.059 Uiso 1 1 calc R U . . .
C3 C 0.2563(4) 0.5584(3) 0.4076(2) 0.0502(9) Uani 1 1 d . . . . .
H3 H 0.242690 0.572975 0.343755 0.060 Uiso 1 1 calc R U . . .
C4 C 0.1679(3) 0.4550(2) 0.4252(2) 0.0313(6) Uani 1 1 d . . . . .
C5 C 0.0387(3) 0.3638(2) 0.3485(2) 0.0320(6) Uani 1 1 d . . . . .
C6 C -0.0026(4) 0.2297(3) 0.0915(2) 0.0417(7) Uani 1 1 d . . . . .
H6 H 0.091388 0.274899 0.079690 0.050 Uiso 1 1 calc R U . . .
C7 C -0.1056(4) 0.1313(3) 0.0087(2) 0.0401(7) Uani 1 1 d . . . . .
C8 C -0.2428(4) 0.0576(3) 0.0220(3) 0.0542(10) Uani 1 1 d . . . . .
H8 H -0.275657 0.069680 0.084916 0.065 Uiso 1 1 calc R U . . .
C9 C -0.3314(4) -0.0350(3) -0.0598(3) 0.0521(9) Uani 1 1 d . . . . .
H9 H -0.423892 -0.083954 -0.049677 0.063 Uiso 1 1 calc R U . . .
C10 C -0.1560(5) 0.0109(4) -0.1630(3) 0.0658(12) Uani 1 1 d . . . . .
H10 H -0.123045 -0.005927 -0.225745 0.079 Uiso 1 1 calc R U . . .
C11 C -0.0610(5) 0.1067(4) -0.0854(3) 0.0644(12) Uani 1 1 d . . . . .
H11 H 0.031841 0.153696 -0.097101 0.077 Uiso 1 1 calc R U . . .
C12 C 0.1962(4) 0.4364(3) 0.5208(2) 0.0431(7) Uani 1 1 d . . . . .
H12 H 0.138987 0.366886 0.535397 0.052 Uiso 1 1 calc R U . . .
C13 C 0.5212(3) 0.6361(3) 0.8481(2) 0.0331(6) Uani 1 1 d . . . . .
C14 C 0.5083(3) 0.5651(3) 0.9264(2) 0.0330(6) Uani 1 1 d . . . . .
C15 C 0.7422(3) 0.8836(3) 0.5859(2) 0.0321(6) Uani 1 1 d . . . . .
C16 C 0.8741(3) 0.9436(3) 0.5402(2) 0.0307(6) Uani 1 1 d . . . . .
C17 C 1.0201(3) 0.9239(3) 0.5603(3) 0.0425(8) Uani 1 1 d . . . . .
H17 H 1.034475 0.872883 0.601358 0.051 Uiso 1 1 calc R U . . .
C18 C 1.1456(3) 0.9793(3) 0.5200(3) 0.0411(7) Uani 1 1 d . . . . .
C19 C 0.3886(4) 0.5634(3) 0.9851(3) 0.0442(8) Uani 1 1 d . . . . .
C20 C 0.6176(4) 0.5015(3) 0.9421(3) 0.0435(8) Uani 1 1 d . . . . .
H20 H 0.697005 0.502317 0.902847 0.052 Uiso 1 1 calc R U . . .
N1 N 0.3945(3) 0.6237(2) 0.57832(18) 0.0344(5) Uani 1 1 d . . . . .
N2 N 0.0657(3) 0.3444(2) 0.25130(18) 0.0353(5) Uani 1 1 d . . . . .
H2A H 0.147150 0.387841 0.235565 0.042 Uiso 1 1 calc R U . . .
N3 N -0.0412(3) 0.2532(2) 0.17879(19) 0.0372(6) Uani 1 1 d . . . . .
N4 N -0.2918(3) -0.0579(2) -0.15183(19) 0.0407(6) Uani 1 1 d . . . . .
O1 O 0.6271(3) 0.6361(2) 0.79514(16) 0.0418(5) Uani 1 1 d . . . . .
O2 O 0.4216(3) 0.6960(2) 0.83745(17) 0.0421(5) Uani 1 1 d . . . . .
O1W O 0.3498(2) 0.87628(19) 0.71839(17) 0.0387(5) Uani 1 1 d . . . . .
H1WA H 0.261767 0.823082 0.707362 0.058 Uiso 1 1 d R U . . .
H1WB H 0.345071 0.909393 0.669086 0.058 Uiso 1 1 d R U . . .
O3 O 0.7634(2) 0.80795(19) 0.63421(16) 0.0370(5) Uani 1 1 d . . . . .
O2W O 0.959(3) 0.4174(18) 0.8886(16) 0.556(13) Uiso 1 1 d G . . . .
O4 O 0.6146(2) 0.9131(2) 0.5776(2) 0.0475(6) Uani 1 1 d . . . . .
O3W O -0.625(6) -0.203(4) 0.252(4) 1.01(3) Uiso 1 1 d G . . . .
O5 O 1.2874(3) 0.9554(3) 0.5418(3) 0.0787(11) Uani 1 1 d . . . . .
H5 H 1.350285 0.988526 0.510447 0.118 Uiso 1 1 calc R U . . .
O4W O 1.216(6) 1.248(4) 0.749(4) 1.03(3) Uiso 1 1 d G . . . .
O6 O 0.2756(4) 0.6229(3) 0.9731(3) 0.0789(15) Uani 0.999(10) 1 d . . . . .
H6A H 0.300166 0.668163 0.936398 0.118 Uiso 1 1 calc R U . . .
O7 O -0.0808(2) 0.3126(2) 0.37357(17) 0.0429(5) Uani 1 1 d . . . . .
Cd1 Cd 0.54987(2) 0.78166(2) 0.71227(2) 0.02420(7) 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
C1 N1 1.331(4) . ?
C1 C12 1.375(4) . ?
C1 H1 0.9300 . ?
C2 N1 1.330(4) . ?
C2 C3 1.393(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.369(4) . ?
C3 H3 0.9300 . ?
C4 C12 1.383(4) . ?
C4 C5 1.496(4) . ?
C5 O7 1.216(4) . ?
C5 N2 1.355(4) . ?
C6 N3 1.267(4) . ?
C6 C7 1.468(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(5) . ?
C7 C11 1.376(5) . ?
C8 C9 1.386(4) . ?
C8 H8 0.9300 . ?
C9 N4 1.329(4) . ?
C9 H9 0.9300 . ?
C10 N4 1.331(4) . ?
C10 C11 1.392(5) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O1 1.247(4) . ?
C13 O2 1.267(4) . ?
C13 C14 1.498(4) . ?
C14 C20 1.383(4) . ?
C14 C19 1.396(4) . ?
C15 O3 1.256(4) . ?
C15 O4 1.262(4) . ?
C15 C16 1.493(4) . ?
C16 C17 1.381(4) . ?
C16 C18 1.382(4) 2_776 ?
C17 C18 1.386(4) . ?
C17 H17 0.9300 . ?
C18 O5 1.371(4) . ?
C19 O6 1.365(4) . ?
C19 C20 1.384(4) 2_667 ?
C20 H20 0.9300 . ?
N1 Cd1 2.335(2) . ?
N2 N3 1.373(3) . ?
N2 H2A 0.8600 . ?
N4 Cd1 2.372(2) 1_444 ?
O1 Cd1 2.437(2) . ?
O2 Cd1 2.429(2) . ?
O1W Cd1 2.303(2) . ?
O1W H1WA 0.8544 . ?
O1W H1WB 0.8543 . ?
O3 Cd1 2.266(2) . ?
O5 H5 0.8200 . ?
O6 H6A 0.8200 . ?

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
N1 C1 C12 123.4(3) . . ?
N1 C1 H1 118.3 . . ?
C12 C1 H1 118.3 . . ?
N1 C2 C3 123.0(3) . . ?
N1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
C4 C3 C2 119.2(3) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C12 117.9(3) . . ?
C3 C4 C5 123.8(3) . . ?
C12 C4 C5 118.3(3) . . ?
O7 C5 N2 123.8(3) . . ?
O7 C5 C4 121.2(3) . . ?
N2 C5 C4 115.0(2) . . ?
N3 C6 C7 120.2(3) . . ?
N3 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C11 117.7(3) . . ?
C8 C7 C6 122.9(3) . . ?
C11 C7 C6 119.3(3) . . ?
C7 C8 C9 119.1(3) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
N4 C9 C8 123.8(3) . . ?
N4 C9 H9 118.1 . . ?
C8 C9 H9 118.1 . . ?
N4 C10 C11 123.2(3) . . ?
N4 C10 H10 118.4 . . ?
C11 C10 H10 118.4 . . ?
C7 C11 C10 119.4(3) . . ?
C7 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C1 C12 C4 119.3(3) . . ?
C1 C12 H12 120.4 . . ?
C4 C12 H12 120.4 . . ?
O1 C13 O2 121.1(3) . . ?
O1 C13 C14 120.7(3) . . ?
O2 C13 C14 118.2(3) . . ?
C20 C14 C19 119.3(3) . . ?
C20 C14 C13 119.7(3) . . ?
C19 C14 C13 121.0(3) . . ?
O3 C15 O4 122.0(3) . . ?
O3 C15 C16 118.9(3) . . ?
O4 C15 C16 119.1(3) . . ?
C17 C16 C18 119.1(3) . 2_776 ?
C17 C16 C15 119.3(3) . . ?
C18 C16 C15 121.5(3) 2_776 . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
O5 C18 C16 121.7(3) . 2_776 ?
O5 C18 C17 118.2(3) . . ?
C16 C18 C17 120.0(3) 2_776 . ?
O6 C19 C20 118.2(3) . 2_667 ?
O6 C19 C14 122.6(3) . . ?
C20 C19 C14 119.2(3) 2_667 . ?
C14 C20 C19 121.5(3) . 2_667 ?
C14 C20 H20 119.3 . . ?
C19 C20 H20 119.3 2_667 . ?
C2 N1 C1 117.2(3) . . ?
C2 N1 Cd1 120.1(2) . . ?
C1 N1 Cd1 121.7(2) . . ?
C5 N2 N3 117.8(2) . . ?
C5 N2 H2A 121.1 . . ?
N3 N2 H2A 121.1 . . ?
C6 N3 N2 115.4(3) . . ?
C9 N4 C10 116.7(3) . . ?
C9 N4 Cd1 121.7(2) . 1_444 ?
C10 N4 Cd1 121.6(2) . 1_444 ?
C13 O1 Cd1 92.72(18) . . ?
C13 O2 Cd1 92.56(17) . . ?
Cd1 O1W H1WA 109.6 . . ?
Cd1 O1W H1WB 109.6 . . ?
H1WA O1W H1WB 104.3 . . ?
C15 O3 Cd1 102.52(18) . . ?
C18 O5 H5 109.5 . . ?
C19 O6 H6A 109.5 . . ?
O3 Cd1 O1W 131.10(8) . . ?
O3 Cd1 N1 94.65(8) . . ?
O1W Cd1 N1 89.87(8) . . ?
O3 Cd1 N4 85.23(9) . 1_666 ?
O1W Cd1 N4 90.23(9) . 1_666 ?
N1 Cd1 N4 179.88(10) . 1_666 ?
O3 Cd1 O2 146.79(8) . . ?
O1W Cd1 O2 81.32(8) . . ?
N1 Cd1 O2 91.98(8) . . ?
N4 Cd1 O2 88.11(9) 1_666 . ?
O3 Cd1 O1 93.91(7) . . ?
O1W Cd1 O1 134.77(7) . . ?
N1 Cd1 O1 90.67(9) . . ?
N4 Cd1 O1 89.31(9) 1_666 . ?
O2 Cd1 O1 53.46(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
N1 C2 C3 C4 1.9(6) . . . . ?
C2 C3 C4 C12 -1.8(5) . . . . ?
C2 C3 C4 C5 175.8(3) . . . . ?
C3 C4 C5 O7 -142.5(4) . . . . ?
C12 C4 C5 O7 35.1(4) . . . . ?
C3 C4 C5 N2 37.2(4) . . . . ?
C12 C4 C5 N2 -145.3(3) . . . . ?
N3 C6 C7 C8 -2.9(5) . . . . ?
N3 C6 C7 C11 -179.5(4) . . . . ?
C11 C7 C8 C9 -1.8(6) . . . . ?
C6 C7 C8 C9 -178.5(4) . . . . ?
C7 C8 C9 N4 0.1(7) . . . . ?
C8 C7 C11 C10 1.0(7) . . . . ?
C6 C7 C11 C10 177.9(4) . . . . ?
N4 C10 C11 C7 1.6(8) . . . . ?
N1 C1 C12 C4 0.7(6) . . . . ?
C3 C4 C12 C1 0.5(5) . . . . ?
C5 C4 C12 C1 -177.2(3) . . . . ?
O1 C13 C14 C20 1.8(5) . . . . ?
O2 C13 C14 C20 -178.2(3) . . . . ?
O1 C13 C14 C19 -179.1(3) . . . . ?
O2 C13 C14 C19 0.9(5) . . . . ?
O3 C15 C16 C17 -6.4(4) . . . . ?
O4 C15 C16 C17 171.5(3) . . . . ?
O3 C15 C16 C18 175.2(3) . . . 2_776 ?
O4 C15 C16 C18 -7.0(5) . . . 2_776 ?
C18 C16 C17 C18 -0.7(6) 2_776 . . . ?
C15 C16 C17 C18 -179.2(3) . . . . ?
C16 C17 C18 O5 -179.3(4) . . . . ?
C16 C17 C18 C16 0.7(6) . . . 2_776 ?
C20 C14 C19 O6 -179.2(4) . . . . ?
C13 C14 C19 O6 1.7(6) . . . . ?
C20 C14 C19 C20 0.3(6) . . . 2_667 ?
C13 C14 C19 C20 -178.9(3) . . . 2_667 ?
C19 C14 C20 C19 -0.3(6) . . . 2_667 ?
C13 C14 C20 C19 178.9(3) . . . 2_667 ?
C3 C2 N1 C1 -0.7(6) . . . . ?
C3 C2 N1 Cd1 -169.5(3) . . . . ?
C12 C1 N1 C2 -0.6(5) . . . . ?
C12 C1 N1 Cd1 168.0(3) . . . . ?
O7 C5 N2 N3 -6.7(4) . . . . ?
C4 C5 N2 N3 173.6(2) . . . . ?
C7 C6 N3 N2 178.1(3) . . . . ?
C5 N2 N3 C6 -172.6(3) . . . . ?
C8 C9 N4 C10 2.4(6) . . . . ?
C8 C9 N4 Cd1 180.0(3) . . . 1_444 ?
C11 C10 N4 C9 -3.2(7) . . . . ?
C11 C10 N4 Cd1 179.2(4) . . . 1_444 ?
O2 C13 O1 Cd1 3.8(3) . . . . ?
C14 C13 O1 Cd1 -176.2(2) . . . . ?
O1 C13 O2 Cd1 -3.8(3) . . . . ?
C14 C13 O2 Cd1 176.2(2) . . . . ?
O4 C15 O3 Cd1 -9.7(3) . . . . ?
C16 C15 O3 Cd1 168.0(2) . . . . ?

_refine_diff_density_max         0.660
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.079



