# 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. 
# 
#######################################################################

data_h1_pl
_database_code_depnum_ccdc_archive 'CCDC 2103438'
_audit_update_record             
;
2021-08-16 deposited with the CCDC.	2021-09-08 downloaded from the CCDC.
;

_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            'C53 H40 Cd2 N9 O10'
_chemical_formula_weight         1187.74

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'

_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                   8.1834(6)
_cell_length_b                   10.3982(7)
_cell_length_c                   14.0203(10)
_cell_angle_alpha                74.0580(10)
_cell_angle_beta                 89.7320(10)
_cell_angle_gamma                81.7880(10)
_cell_volume                     1134.63(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5236
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      28.17

_exptl_crystal_description       rod
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_F_000             597
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.057
_exptl_absorpt_coefficient_mu    1.013
_shelx_estimated_absorpt_T_min   0.783
_shelx_estimated_absorpt_T_max   0.928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_process_details   'Face indexing'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7582
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_av_R_equivalents  0.0077
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.888
_diffrn_reflns_theta_max         30.969
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.791
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.791
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             5711
_reflns_number_gt                5463
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5711
_refine_ls_number_parameters     331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0229
_refine_ls_wR_factor_ref         0.0769
_refine_ls_wR_factor_gt          0.0758
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.002
_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
Cd1 Cd 0.99338(2) 1.34874(2) -0.09687(2) 0.02175(6) Uani 1 1 d . . . . .
N1 N 1.0383(3) 1.0505(3) 0.4748(2) 0.0150(3) Uiso 0.5 1 d . . P A -1
C27 C 1.0004(4) 0.9424(4) 0.5273(3) 0.0150(3) Uiso 0.5 1 d . . P A -1
N2 N 0.77389(19) 1.29820(15) -0.00365(11) 0.0266(3) Uani 1 1 d . . . . .
N3 N 0.64187(19) 1.18957(15) 0.12270(11) 0.0297(3) Uani 1 1 d . . . . .
N4 N 0.40086(19) 0.48324(16) 0.71900(11) 0.0300(3) Uani 1 1 d . . . . .
N5 N 0.2396(2) 0.38392(17) 0.83380(12) 0.0320(3) Uani 1 1 d . . . . .
O1 O 1.12957(18) 1.34513(13) 0.04941(9) 0.0328(3) Uani 1 1 d . . . . .
O2 O 1.10673(17) 1.43226(12) 0.17871(9) 0.0316(3) Uani 1 1 d . . . . .
O3 O 1.09340(18) 0.72988(13) 0.23887(10) 0.0345(3) Uani 1 1 d . . . . .
O4 O 0.97787(18) 0.87784(13) 0.10271(9) 0.0320(3) Uani 1 1 d . . . . .
O5 O 1.0493(7) 0.5108(6) 0.4028(4) 0.0902(15) Uiso 0.5 1 d . . P . .
O5A O 0.9729(12) 0.5987(10) 0.4242(8) 0.171(4) Uiso 0.5 1 d . . P . .
C1 C 1.1091(2) 1.33613(16) 0.13920(11) 0.0231(3) Uani 1 1 d . . . . .
C2 C 1.0875(2) 1.19943(15) 0.20819(11) 0.0221(3) Uani 1 1 d . . . . .
C3 C 1.0811(2) 1.08936(15) 0.17034(11) 0.0233(3) Uani 1 1 d . . . . .
H3 H 1.093863 1.099313 0.102867 0.028 Uiso 1 1 calc R U . . .
C4 C 1.0557(2) 0.96406(15) 0.23299(11) 0.0228(3) Uani 1 1 d . . . . .
C5 C 1.0377(2) 0.94806(16) 0.33319(12) 0.0246(3) Uani 1 1 d . . . . .
H5 H 1.022621 0.864436 0.374973 0.030 Uiso 1 1 calc R U . . .
C6 C 1.0423(2) 1.05809(16) 0.37175(11) 0.0245(3) Uani 1 1 d . . . . .
C7 C 1.0668(2) 1.18296(16) 0.30950(11) 0.0245(3) Uani 1 1 d . . . . .
H7 H 1.069278 1.255833 0.335571 0.029 Uiso 1 1 calc R U . . .
C8 C 1.0411(2) 0.84905(16) 0.18850(12) 0.0242(3) Uani 1 1 d . . . . .
C9 C 0.6820(2) 1.39079(18) 0.03642(14) 0.0316(4) Uani 1 1 d . . . . .
H9 H 0.677452 1.484122 0.013546 0.038 Uiso 1 1 calc R U . . .
C10 C 0.5996(3) 1.32519(19) 0.11406(15) 0.0365(4) Uani 1 1 d . . . . .
H10 H 0.528429 1.363974 0.153765 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7471(2) 1.17709(17) 0.05043(13) 0.0266(3) Uani 1 1 d . . . . .
H11 H 0.794052 1.095429 0.039973 0.032 Uiso 1 1 calc R U . . .
C12 C 0.6045(2) 1.08358(18) 0.20558(14) 0.0307(4) Uani 1 1 d . . . . .
C13 C 0.6408(3) 1.0920(2) 0.29957(15) 0.0383(4) Uani 1 1 d . . . . .
H13 H 0.685258 1.165999 0.307581 0.046 Uiso 1 1 calc R U . . .
C14 C 0.6108(3) 0.9893(2) 0.38232(16) 0.0404(5) Uani 1 1 d . . . . .
H14 H 0.635650 0.994637 0.445643 0.048 Uiso 1 1 calc R U . . .
C15 C 0.5435(3) 0.8785(2) 0.37065(14) 0.0336(4) Uani 1 1 d . . . . .
C16 C 0.5053(3) 0.8744(2) 0.27555(16) 0.0512(6) Uani 1 1 d . . . . .
H16 H 0.457611 0.802200 0.266873 0.061 Uiso 1 1 calc R U . . .
C17 C 0.5366(4) 0.9758(2) 0.19305(16) 0.0515(6) Uani 1 1 d . . . . .
H17 H 0.511816 0.970796 0.129614 0.062 Uiso 1 1 calc R U . . .
C18 C 0.5125(2) 0.7686(2) 0.45896(14) 0.0329(4) Uani 1 1 d . . . . .
C19 C 0.6189(3) 0.7298(2) 0.54164(16) 0.0418(5) Uani 1 1 d . . . . .
H19 H 0.714583 0.768990 0.539820 0.050 Uiso 1 1 calc R U . . .
C20 C 0.5857(2) 0.6335(2) 0.62734(14) 0.0379(4) Uani 1 1 d . . . . .
H20 H 0.657400 0.609628 0.682684 0.046 Uiso 1 1 calc R U . . .
C21 C 0.4454(2) 0.5740(2) 0.62927(14) 0.0307(4) Uani 1 1 d . . . . .
C22 C 0.3407(3) 0.6064(2) 0.54575(15) 0.0386(4) Uani 1 1 d . . . . .
H22 H 0.248342 0.563429 0.546497 0.046 Uiso 1 1 calc R U . . .
C23 C 0.3752(3) 0.7030(2) 0.46145(15) 0.0385(4) Uani 1 1 d . . . . .
H23 H 0.305351 0.724604 0.405430 0.046 Uiso 1 1 calc R U . . .
C24 C 0.5024(2) 0.4057(2) 0.79838(14) 0.0318(4) Uani 1 1 d . . . . .
H24 H 0.617056 0.396510 0.802976 0.038 Uiso 1 1 calc R U . . .
C25 C 0.4017(2) 0.34554(19) 0.86819(13) 0.0316(4) Uani 1 1 d . . . . .
H25 H 0.436594 0.287179 0.930011 0.038 Uiso 1 1 calc R U . . .
C26 C 0.2434(2) 0.4668(2) 0.74445(14) 0.0356(4) Uani 1 1 d . . . . .
H26 H 0.150342 0.508622 0.703952 0.043 Uiso 1 1 calc 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 N2 2.2541(15) . ?
Cd1 N5 2.2661(16) 1_664 ?
Cd1 O2 2.2834(12) 2_785 ?
Cd1 O1 2.3273(12) . ?
Cd1 O4 2.3580(12) 2_775 ?
Cd1 O3 2.4918(13) 2_775 ?
Cd1 C8 2.7533(15) 2_775 ?
N1 C27 1.243(3) . ?
N1 C6 1.425(3) . ?
N2 C11 1.327(2) . ?
N2 C9 1.376(2) . ?
N3 C11 1.348(2) . ?
N3 C10 1.375(2) . ?
N3 C12 1.431(2) . ?
N4 C26 1.358(2) . ?
N4 C24 1.380(2) . ?
N4 C21 1.431(2) . ?
N5 C26 1.314(2) . ?
N5 C25 1.379(2) . ?
O1 C1 1.2488(19) . ?
O2 C1 1.2669(19) . ?
O3 C8 1.260(2) . ?
O4 C8 1.252(2) . ?
O5 O5A 1.141(10) . ?
C1 C2 1.517(2) . ?
C2 C3 1.395(2) . ?
C2 C7 1.396(2) . ?
C3 C4 1.400(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(2) . ?
C4 C8 1.512(2) . ?
C5 C6 1.398(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.392(2) . ?
C7 H7 0.9300 . ?
C9 C10 1.350(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C17 1.372(3) . ?
C12 C13 1.381(3) . ?
C13 C14 1.392(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.393(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.384(3) . ?
C15 C18 1.485(2) . ?
C16 C17 1.385(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.385(3) . ?
C18 C23 1.390(3) . ?
C19 C20 1.391(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.377(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(3) . ?
C22 C23 1.383(3) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.353(3) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26 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
N2 Cd1 N5 170.28(6) . 1_664 ?
N2 Cd1 O2 98.49(5) . 2_785 ?
N5 Cd1 O2 88.01(6) 1_664 2_785 ?
N2 Cd1 O1 86.68(5) . . ?
N5 Cd1 O1 84.39(5) 1_664 . ?
O2 Cd1 O1 108.70(5) 2_785 . ?
N2 Cd1 O4 84.99(5) . 2_775 ?
N5 Cd1 O4 93.81(6) 1_664 2_775 ?
O2 Cd1 O4 145.20(4) 2_785 2_775 ?
O1 Cd1 O4 106.06(5) . 2_775 ?
N2 Cd1 O3 96.41(5) . 2_775 ?
N5 Cd1 O3 90.65(5) 1_664 2_775 ?
O2 Cd1 O3 91.08(4) 2_785 2_775 ?
O1 Cd1 O3 159.36(5) . 2_775 ?
O4 Cd1 O3 54.18(4) 2_775 2_775 ?
N2 Cd1 C8 90.80(5) . 2_775 ?
N5 Cd1 C8 92.47(6) 1_664 2_775 ?
O2 Cd1 C8 118.28(5) 2_785 2_775 ?
O1 Cd1 C8 132.78(5) . 2_775 ?
O4 Cd1 C8 26.96(5) 2_775 2_775 ?
O3 Cd1 C8 27.22(5) 2_775 2_775 ?
C27 N1 C6 113.53(19) . . ?
C11 N2 C9 106.32(15) . . ?
C11 N2 Cd1 127.41(12) . . ?
C9 N2 Cd1 121.98(12) . . ?
C11 N3 C10 107.77(15) . . ?
C11 N3 C12 126.82(15) . . ?
C10 N3 C12 124.39(15) . . ?
C26 N4 C24 106.90(15) . . ?
C26 N4 C21 124.58(16) . . ?
C24 N4 C21 128.33(16) . . ?
C26 N5 C25 106.07(15) . . ?
C26 N5 Cd1 119.73(13) . 1_446 ?
C25 N5 Cd1 133.90(12) . 1_446 ?
C1 O1 Cd1 143.08(12) . . ?
C1 O2 Cd1 122.70(10) . 2_785 ?
C8 O3 Cd1 88.02(10) . 2_775 ?
C8 O4 Cd1 94.40(10) . 2_775 ?
O1 C1 O2 125.30(15) . . ?
O1 C1 C2 118.31(14) . . ?
O2 C1 C2 116.38(13) . . ?
C3 C2 C7 118.91(14) . . ?
C3 C2 C1 120.24(13) . . ?
C7 C2 C1 120.80(13) . . ?
C2 C3 C4 120.61(14) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.14(14) . . ?
C5 C4 C8 120.74(14) . . ?
C3 C4 C8 119.07(14) . . ?
C4 C5 C6 119.73(15) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 120.22(14) . . ?
C7 C6 N1 115.14(17) . . ?
C5 C6 N1 124.40(18) . . ?
C6 C7 C2 120.39(14) . . ?
C6 C7 H7 119.8 . . ?
C2 C7 H7 119.8 . . ?
O4 C8 O3 123.40(15) . . ?
O4 C8 C4 117.83(14) . . ?
O3 C8 C4 118.77(15) . . ?
O4 C8 Cd1 58.64(8) . 2_775 ?
O3 C8 Cd1 64.76(9) . 2_775 ?
C4 C8 Cd1 176.46(11) . 2_775 ?
C10 C9 N2 109.48(16) . . ?
C10 C9 H9 125.3 . . ?
N2 C9 H9 125.3 . . ?
C9 C10 N3 106.26(16) . . ?
C9 C10 H10 126.9 . . ?
N3 C10 H10 126.9 . . ?
N2 C11 N3 110.17(15) . . ?
N2 C11 H11 124.9 . . ?
N3 C11 H11 124.9 . . ?
C17 C12 C13 120.54(17) . . ?
C17 C12 N3 121.64(18) . . ?
C13 C12 N3 117.82(17) . . ?
C12 C13 C14 119.79(19) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 120.28(19) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 118.54(18) . . ?
C16 C15 C18 121.23(19) . . ?
C14 C15 C18 120.23(19) . . ?
C15 C16 C17 121.3(2) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C12 C17 C16 119.5(2) . . ?
C12 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C19 C18 C23 118.22(18) . . ?
C19 C18 C15 120.69(18) . . ?
C23 C18 C15 121.09(18) . . ?
C18 C19 C20 121.37(19) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C21 C20 C19 119.21(18) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 120.53(17) . . ?
C20 C21 N4 120.35(17) . . ?
C22 C21 N4 119.04(17) . . ?
C23 C22 C21 119.38(18) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C18 121.17(19) . . ?
C22 C23 H23 119.4 . . ?
C18 C23 H23 119.4 . . ?
C25 C24 N4 106.20(16) . . ?
C25 C24 H24 126.9 . . ?
N4 C24 H24 126.9 . . ?
C24 C25 N5 109.71(16) . . ?
C24 C25 H25 125.1 . . ?
N5 C25 H25 125.1 . . ?
N5 C26 N4 111.11(17) . . ?
N5 C26 H26 124.4 . . ?
N4 C26 H26 124.4 . . ?

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 C1 O2 -107.5(2) . . . . ?
Cd1 O1 C1 C2 73.5(2) . . . . ?
Cd1 O2 C1 O1 33.1(2) 2_785 . . . ?
Cd1 O2 C1 C2 -147.86(11) 2_785 . . . ?
O1 C1 C2 C3 -3.8(2) . . . . ?
O2 C1 C2 C3 177.12(15) . . . . ?
O1 C1 C2 C7 179.01(16) . . . . ?
O2 C1 C2 C7 -0.1(2) . . . . ?
C7 C2 C3 C4 -0.5(2) . . . . ?
C1 C2 C3 C4 -177.84(15) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C2 C3 C4 C8 177.00(15) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
C8 C4 C5 C6 -176.33(16) . . . . ?
C4 C5 C6 C7 -0.7(3) . . . . ?
C4 C5 C6 N1 -174.77(19) . . . . ?
C27 N1 C6 C7 173.4(2) . . . . ?
C27 N1 C6 C5 -12.3(3) . . . . ?
C5 C6 C7 C2 -0.2(3) . . . . ?
N1 C6 C7 C2 174.34(18) . . . . ?
C3 C2 C7 C6 0.9(3) . . . . ?
C1 C2 C7 C6 178.14(16) . . . . ?
Cd1 O4 C8 O3 0.18(18) 2_775 . . . ?
Cd1 O4 C8 C4 179.78(13) 2_775 . . . ?
Cd1 O3 C8 O4 -0.17(17) 2_775 . . . ?
Cd1 O3 C8 C4 -179.77(14) 2_775 . . . ?
C5 C4 C8 O4 145.26(17) . . . . ?
C3 C4 C8 O4 -32.1(2) . . . . ?
C5 C4 C8 O3 -35.1(2) . . . . ?
C3 C4 C8 O3 147.49(16) . . . . ?
C11 N2 C9 C10 -0.3(2) . . . . ?
Cd1 N2 C9 C10 -158.64(14) . . . . ?
N2 C9 C10 N3 0.4(2) . . . . ?
C11 N3 C10 C9 -0.3(2) . . . . ?
C12 N3 C10 C9 168.78(18) . . . . ?
C9 N2 C11 N3 0.2(2) . . . . ?
Cd1 N2 C11 N3 156.89(12) . . . . ?
C10 N3 C11 N2 0.1(2) . . . . ?
C12 N3 C11 N2 -168.64(17) . . . . ?
C11 N3 C12 C17 -60.6(3) . . . . ?
C10 N3 C12 C17 132.5(2) . . . . ?
C11 N3 C12 C13 118.7(2) . . . . ?
C10 N3 C12 C13 -48.3(3) . . . . ?
C17 C12 C13 C14 1.0(3) . . . . ?
N3 C12 C13 C14 -178.26(19) . . . . ?
C12 C13 C14 C15 -0.3(3) . . . . ?
C13 C14 C15 C16 -1.0(3) . . . . ?
C13 C14 C15 C18 179.6(2) . . . . ?
C14 C15 C16 C17 1.7(4) . . . . ?
C18 C15 C16 C17 -178.9(2) . . . . ?
C13 C12 C17 C16 -0.3(4) . . . . ?
N3 C12 C17 C16 178.9(2) . . . . ?
C15 C16 C17 C12 -1.0(4) . . . . ?
C16 C15 C18 C19 145.0(2) . . . . ?
C14 C15 C18 C19 -35.7(3) . . . . ?
C16 C15 C18 C23 -35.8(3) . . . . ?
C14 C15 C18 C23 143.5(2) . . . . ?
C23 C18 C19 C20 -3.6(3) . . . . ?
C15 C18 C19 C20 175.6(2) . . . . ?
C18 C19 C20 C21 1.1(4) . . . . ?
C19 C20 C21 C22 2.0(3) . . . . ?
C19 C20 C21 N4 -174.7(2) . . . . ?
C26 N4 C21 C20 148.9(2) . . . . ?
C24 N4 C21 C20 -25.3(3) . . . . ?
C26 N4 C21 C22 -27.8(3) . . . . ?
C24 N4 C21 C22 157.9(2) . . . . ?
C20 C21 C22 C23 -2.5(3) . . . . ?
N4 C21 C22 C23 174.3(2) . . . . ?
C21 C22 C23 C18 -0.2(4) . . . . ?
C19 C18 C23 C22 3.2(3) . . . . ?
C15 C18 C23 C22 -176.1(2) . . . . ?
C26 N4 C24 C25 0.1(2) . . . . ?
C21 N4 C24 C25 175.19(19) . . . . ?
N4 C24 C25 N5 0.1(2) . . . . ?
C26 N5 C25 C24 -0.3(2) . . . . ?
Cd1 N5 C25 C24 -173.80(14) 1_446 . . . ?
C25 N5 C26 N4 0.4(2) . . . . ?
Cd1 N5 C26 N4 174.99(13) 1_446 . . . ?
C24 N4 C26 N5 -0.3(2) . . . . ?
C21 N4 C26 N5 -175.64(18) . . . . ?

_refine_diff_density_max         0.683
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.070

