# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_2025_Uniandes_Cu_64_Eu-RDvr-2
_database_code_depnum_ccdc_archive 'CCDC 2478771'
loop_
_audit_author_name
_audit_author_address
'Mario Macias'
;Departamento de Quimica, Universidad de los Andes, Bogota
Colombia
;
_audit_update_record             
;
2025-08-06 deposited with the CCDC.	2026-04-16 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         'C36 H24 N6'
_chemical_formula_sum            'C36 H24 N6'
_chemical_formula_weight         540.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P b c 21'
_space_group_name_Hall           'P 2c -2b'

_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+1/2'
'-x, y+1/2, z'
'x, -y+1/2, z+1/2'

_cell_length_a                   10.0690(9)
_cell_length_b                   10.0652(11)
_cell_length_c                   26.246(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2659.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3966
_cell_measurement_theta_min      5.5250
_cell_measurement_theta_max      75.5560

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_F_000             1128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.645
_shelx_estimated_absorpt_T_min   0.882
_shelx_estimated_absorpt_T_max   0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.64960
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.6144
_diffrn_reflns_number            8190
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         4.391
_diffrn_reflns_theta_max         76.254
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.747
_diffrn_reflns_point_group_measured_fraction_full 0.780
_reflns_number_total             4183
_reflns_number_gt                3696
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.488
_reflns_Friedel_fraction_max     0.502
_reflns_Friedel_fraction_full    0.550

_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       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.1043P)²+0.1094P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1088 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.4(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4183
_refine_ls_number_parameters     379
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0544
_refine_ls_wR_factor_ref         0.1572
_refine_ls_wR_factor_gt          0.1471
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_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
N1 N 0.3500(3) 0.1853(3) 0.38178(12) 0.0469(6) Uani 1 1 d . . . . .
C2 C 0.3240(3) 0.2815(3) 0.41562(14) 0.0450(7) Uani 1 1 d . . . . .
C3 C 0.4191(3) 0.3295(3) 0.44955(14) 0.0466(7) Uani 1 1 d . . . . .
H3 H 0.396577 0.394297 0.473294 0.056 Uiso 1 1 calc R U . . .
C4 C 0.5481(3) 0.2800(3) 0.44767(14) 0.0442(7) Uani 1 1 d . . . . .
C5 C 0.6524(3) 0.3296(3) 0.48266(14) 0.0446(7) Uani 1 1 d . . . . .
C6 C 0.7500(3) 0.2440(3) 0.50167(15) 0.0468(7) Uani 1 1 d . . . . .
H6 H 0.749780 0.154961 0.492207 0.056 Uiso 1 1 calc R U . . .
C7 C 0.8470(3) 0.2910(3) 0.53453(15) 0.0471(7) Uani 1 1 d . . . . .
H7 H 0.911048 0.232811 0.546929 0.057 Uiso 1 1 calc R U . . .
C8 C 0.8501(3) 0.4242(3) 0.54932(13) 0.0438(7) Uani 1 1 d . . . . .
C9 C 0.9540(3) 0.4739(3) 0.58484(13) 0.0440(7) Uani 1 1 d . . . . .
C10 C 1.0838(3) 0.4260(3) 0.58276(14) 0.0460(7) Uani 1 1 d . . . . .
H10 H 1.107171 0.362291 0.558699 0.055 Uiso 1 1 calc R U . . .
C11 C 1.1778(3) 0.4736(3) 0.61665(13) 0.0445(7) Uani 1 1 d . . . . .
N12 N 1.1508(3) 0.5691(3) 0.65080(11) 0.0464(6) Uani 1 1 d . . . . .
C13 C 1.0252(3) 0.6148(4) 0.65308(13) 0.0439(7) Uani 1 1 d . . . . .
C14 C 0.9255(3) 0.5708(3) 0.62110(13) 0.0452(7) Uani 1 1 d . . . . .
H14 H 0.840197 0.605516 0.623771 0.054 Uiso 1 1 calc R U . . .
C15 C 1.0002(3) 0.7167(4) 0.69337(16) 0.0445(9) Uani 1 1 d . . . . .
C16 C 1.1042(4) 0.7743(5) 0.7190(2) 0.0731(13) Uani 1 1 d . . . . .
H16 H 1.191322 0.752065 0.710970 0.088 Uiso 1 1 calc R U . . .
C17 C 1.0774(6) 0.8666(5) 0.7573(2) 0.0805(14) Uani 1 1 d . . . . .
H17 H 1.145883 0.903305 0.776505 0.097 Uiso 1 1 calc R U . . .
C18 C 0.9486(5) 0.9019(4) 0.76606(18) 0.0675(10) Uani 1 1 d . . . . .
H18 H 0.927329 0.966336 0.790099 0.081 Uiso 1 1 calc R U . . .
C19 C 0.8524(4) 0.8402(4) 0.73864(19) 0.0678(11) Uani 1 1 d . . . . .
H19 H 0.764713 0.864067 0.745053 0.081 Uiso 1 1 calc R U . . .
N20 N 0.8742(3) 0.7483(4) 0.70335(15) 0.0593(8) Uani 1 1 d . . . . .
C21 C 1.3157(3) 0.4190(3) 0.61802(13) 0.0464(7) Uani 1 1 d . . . . .
N22 N 1.3418(3) 0.3167(3) 0.58710(14) 0.0549(7) Uani 1 1 d . . . . .
C23 C 1.4645(4) 0.2647(4) 0.58917(18) 0.0628(10) Uani 1 1 d . . . . .
H23 H 1.484341 0.194281 0.567506 0.075 Uiso 1 1 calc R U . . .
C24 C 1.5629(4) 0.3092(4) 0.62142(18) 0.0618(10) Uani 1 1 d . . . . .
H24 H 1.645851 0.268643 0.621887 0.074 Uiso 1 1 calc R U . . .
C25 C 1.5358(4) 0.4144(4) 0.65275(18) 0.0635(10) Uani 1 1 d . . . . .
H25 H 1.600847 0.448051 0.674372 0.076 Uiso 1 1 calc R U . . .
C26 C 1.4093(4) 0.4704(4) 0.65172(17) 0.0576(9) Uani 1 1 d . . . . .
H26 H 1.387820 0.540748 0.673153 0.069 Uiso 1 1 calc R U . . .
C27 C 0.7520(3) 0.5095(3) 0.53040(14) 0.0474(7) Uani 1 1 d . . . . .
H27 H 0.752069 0.598561 0.539816 0.057 Uiso 1 1 calc R U . . .
C28 C 0.6549(3) 0.4624(3) 0.49785(15) 0.0467(7) Uani 1 1 d . . . . .
H28 H 0.589990 0.520237 0.485860 0.056 Uiso 1 1 calc R U . . .
C29 C 0.5756(3) 0.1811(3) 0.41157(14) 0.0457(7) Uani 1 1 d . . . . .
H29 H 0.660518 0.145439 0.409095 0.055 Uiso 1 1 calc R U . . .
C30 C 0.4752(3) 0.1368(4) 0.37948(14) 0.0455(7) Uani 1 1 d . . . . .
C31 C 0.4974(3) 0.0325(4) 0.34036(17) 0.0469(9) Uani 1 1 d . . . . .
N32 N 0.6218(4) 0.0139(4) 0.32386(18) 0.0677(9) Uani 1 1 d . . . . .
C33 C 0.6397(5) -0.0785(5) 0.2880(2) 0.0784(13) Uani 1 1 d . . . . .
H33 H 0.725912 -0.092551 0.276570 0.094 Uiso 1 1 calc R U . . .
C34 C 0.5417(6) -0.1537(4) 0.26698(19) 0.0729(12) Uani 1 1 d . . . . .
H34 H 0.560194 -0.214808 0.241363 0.088 Uiso 1 1 calc R U . . .
C35 C 0.4156(6) -0.1365(5) 0.2847(2) 0.0778(14) Uani 1 1 d . . . . .
H35 H 0.346213 -0.188109 0.272267 0.093 Uiso 1 1 calc R U . . .
C36 C 0.3927(4) -0.0405(4) 0.32158(19) 0.0630(10) Uani 1 1 d . . . . .
H36 H 0.307100 -0.025526 0.333560 0.076 Uiso 1 1 calc R U . . .
C37 C 0.1869(3) 0.3373(3) 0.41434(14) 0.0462(7) Uani 1 1 d . . . . .
C38 C 0.0922(4) 0.2851(4) 0.38174(18) 0.0601(10) Uani 1 1 d . . . . .
H38 H 0.112492 0.213911 0.360531 0.072 Uiso 1 1 calc R U . . .
C39 C -0.0334(4) 0.3410(4) 0.38138(19) 0.0649(10) Uani 1 1 d . . . . .
H39 H -0.098785 0.307521 0.359889 0.078 Uiso 1 1 calc R U . . .
C40 C -0.0607(4) 0.4455(4) 0.41275(19) 0.0606(9) Uani 1 1 d . . . . .
H40 H -0.144689 0.483954 0.413312 0.073 Uiso 1 1 calc R U . . .
C41 C 0.0389(4) 0.4924(4) 0.44339(18) 0.0616(9) Uani 1 1 d . . . . .
H41 H 0.020570 0.564921 0.464197 0.074 Uiso 1 1 calc R U . . .
N42 N 0.1613(3) 0.4402(3) 0.44523(15) 0.0566(8) 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
N1 C2 1.340(4) . ?
N1 C30 1.353(4) . ?
C2 C3 1.395(5) . ?
C2 C37 1.490(5) . ?
C3 C4 1.392(5) . ?
C3 H3 0.9300 . ?
C4 C29 1.402(5) . ?
C4 C5 1.482(4) . ?
C5 C28 1.395(4) . ?
C5 C6 1.399(4) . ?
C6 C7 1.386(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(5) . ?
C7 H7 0.9300 . ?
C8 C27 1.400(4) . ?
C8 C9 1.488(4) . ?
C9 C14 1.393(5) . ?
C9 C10 1.394(5) . ?
C10 C11 1.384(5) . ?
C10 H10 0.9300 . ?
C11 N12 1.343(4) . ?
C11 C21 1.494(4) . ?
N12 C13 1.347(4) . ?
C13 C14 1.381(5) . ?
C13 C15 1.495(5) . ?
C14 H14 0.9300 . ?
C15 N20 1.334(4) . ?
C15 C16 1.373(5) . ?
C16 C17 1.395(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.364(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.357(7) . ?
C18 H18 0.9300 . ?
C19 N20 1.327(6) . ?
C19 H19 0.9300 . ?
C21 N22 1.338(5) . ?
C21 C26 1.392(5) . ?
N22 C23 1.343(5) . ?
C23 C24 1.378(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.368(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.393(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.382(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.389(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.485(6) . ?
C31 N32 1.339(5) . ?
C31 C36 1.376(5) . ?
N32 C33 1.334(6) . ?
C33 C34 1.361(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.363(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.387(7) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 N42 1.340(5) . ?
C37 C38 1.386(5) . ?
C38 C39 1.384(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.364(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.370(6) . ?
C40 H40 0.9300 . ?
C41 N42 1.340(5) . ?
C41 H41 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
C2 N1 C30 118.2(3) . . ?
N1 C2 C3 122.6(3) . . ?
N1 C2 C37 116.0(3) . . ?
C3 C2 C37 121.3(3) . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C29 117.5(3) . . ?
C3 C4 C5 121.2(3) . . ?
C29 C4 C5 121.2(3) . . ?
C28 C5 C6 118.4(3) . . ?
C28 C5 C4 120.8(3) . . ?
C6 C5 C4 120.7(3) . . ?
C7 C6 C5 120.4(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 121.1(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C27 118.3(3) . . ?
C7 C8 C9 120.8(3) . . ?
C27 C8 C9 120.9(3) . . ?
C14 C9 C10 117.5(3) . . ?
C14 C9 C8 121.2(3) . . ?
C10 C9 C8 121.2(3) . . ?
C11 C10 C9 119.7(3) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
N12 C11 C10 122.6(3) . . ?
N12 C11 C21 115.8(3) . . ?
C10 C11 C21 121.6(3) . . ?
C11 N12 C13 117.6(3) . . ?
N12 C13 C14 123.1(3) . . ?
N12 C13 C15 115.1(3) . . ?
C14 C13 C15 121.8(3) . . ?
C13 C14 C9 119.3(3) . . ?
C13 C14 H14 120.3 . . ?
C9 C14 H14 120.3 . . ?
N20 C15 C16 121.9(4) . . ?
N20 C15 C13 117.6(3) . . ?
C16 C15 C13 120.6(3) . . ?
C15 C16 C17 119.2(4) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C18 C17 C16 118.5(4) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C19 C18 C17 118.1(4) . . ?
C19 C18 H18 121.0 . . ?
C17 C18 H18 121.0 . . ?
N20 C19 C18 124.8(4) . . ?
N20 C19 H19 117.6 . . ?
C18 C19 H19 117.6 . . ?
C19 N20 C15 117.4(4) . . ?
N22 C21 C26 122.6(3) . . ?
N22 C21 C11 116.8(3) . . ?
C26 C21 C11 120.6(3) . . ?
C21 N22 C23 117.2(3) . . ?
N22 C23 C24 124.0(4) . . ?
N22 C23 H23 118.0 . . ?
C24 C23 H23 118.0 . . ?
C25 C24 C23 118.6(4) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C26 118.9(4) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 H25 120.6 . . ?
C21 C26 C25 118.8(4) . . ?
C21 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C28 C27 C8 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C8 C27 H27 119.7 . . ?
C27 C28 C5 121.2(3) . . ?
C27 C28 H28 119.4 . . ?
C5 C28 H28 119.4 . . ?
C30 C29 C4 119.6(3) . . ?
C30 C29 H29 120.2 . . ?
C4 C29 H29 120.2 . . ?
N1 C30 C29 122.3(3) . . ?
N1 C30 C31 115.2(3) . . ?
C29 C30 C31 122.5(3) . . ?
N32 C31 C36 121.7(4) . . ?
N32 C31 C30 117.6(3) . . ?
C36 C31 C30 120.6(3) . . ?
C33 N32 C31 116.9(4) . . ?
N32 C33 C34 125.2(5) . . ?
N32 C33 H33 117.4 . . ?
C34 C33 H33 117.4 . . ?
C33 C34 C35 117.8(4) . . ?
C33 C34 H34 121.1 . . ?
C35 C34 H34 121.1 . . ?
C34 C35 C36 118.8(4) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 119.7(4) . . ?
C31 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
N42 C37 C38 122.3(3) . . ?
N42 C37 C2 117.1(3) . . ?
C38 C37 C2 120.6(3) . . ?
C39 C38 C37 118.6(4) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C40 C39 C38 119.6(4) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 118.2(4) . . ?
C39 C40 H40 120.9 . . ?
C41 C40 H40 120.9 . . ?
N42 C41 C40 124.0(4) . . ?
N42 C41 H41 118.0 . . ?
C40 C41 H41 118.0 . . ?
C37 N42 C41 117.3(3) . . ?

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
C30 N1 C2 C3 -2.4(5) . . . . ?
C30 N1 C2 C37 176.3(3) . . . . ?
N1 C2 C3 C4 2.2(5) . . . . ?
C37 C2 C3 C4 -176.4(3) . . . . ?
C2 C3 C4 C29 -0.9(5) . . . . ?
C2 C3 C4 C5 179.3(3) . . . . ?
C3 C4 C5 C28 -34.8(5) . . . . ?
C29 C4 C5 C28 145.4(4) . . . . ?
C3 C4 C5 C6 144.5(4) . . . . ?
C29 C4 C5 C6 -35.3(5) . . . . ?
C28 C5 C6 C7 -0.4(5) . . . . ?
C4 C5 C6 C7 -179.8(3) . . . . ?
C5 C6 C7 C8 -0.2(5) . . . . ?
C6 C7 C8 C27 0.5(5) . . . . ?
C6 C7 C8 C9 179.6(3) . . . . ?
C7 C8 C9 C14 -143.7(3) . . . . ?
C27 C8 C9 C14 35.4(5) . . . . ?
C7 C8 C9 C10 36.8(5) . . . . ?
C27 C8 C9 C10 -144.0(4) . . . . ?
C14 C9 C10 C11 1.1(5) . . . . ?
C8 C9 C10 C11 -179.5(3) . . . . ?
C9 C10 C11 N12 -2.7(5) . . . . ?
C9 C10 C11 C21 176.1(3) . . . . ?
C10 C11 N12 C13 3.1(5) . . . . ?
C21 C11 N12 C13 -175.7(3) . . . . ?
C11 N12 C13 C14 -2.0(5) . . . . ?
C11 N12 C13 C15 177.4(3) . . . . ?
N12 C13 C14 C9 0.6(6) . . . . ?
C15 C13 C14 C9 -178.9(3) . . . . ?
C10 C9 C14 C13 -0.1(5) . . . . ?
C8 C9 C14 C13 -179.5(3) . . . . ?
N12 C13 C15 N20 -168.6(4) . . . . ?
C14 C13 C15 N20 10.9(6) . . . . ?
N12 C13 C15 C16 11.1(6) . . . . ?
C14 C13 C15 C16 -169.4(4) . . . . ?
N20 C15 C16 C17 1.3(8) . . . . ?
C13 C15 C16 C17 -178.4(5) . . . . ?
C15 C16 C17 C18 -3.5(8) . . . . ?
C16 C17 C18 C19 3.2(8) . . . . ?
C17 C18 C19 N20 -0.7(8) . . . . ?
C18 C19 N20 C15 -1.6(7) . . . . ?
C16 C15 N20 C19 1.3(7) . . . . ?
C13 C15 N20 C19 -179.1(4) . . . . ?
N12 C11 C21 N22 174.9(3) . . . . ?
C10 C11 C21 N22 -3.9(5) . . . . ?
N12 C11 C21 C26 -2.5(5) . . . . ?
C10 C11 C21 C26 178.7(3) . . . . ?
C26 C21 N22 C23 -0.8(6) . . . . ?
C11 C21 N22 C23 -178.2(4) . . . . ?
C21 N22 C23 C24 0.9(7) . . . . ?
N22 C23 C24 C25 -1.3(7) . . . . ?
C23 C24 C25 C26 1.5(7) . . . . ?
N22 C21 C26 C25 1.0(6) . . . . ?
C11 C21 C26 C25 178.3(4) . . . . ?
C24 C25 C26 C21 -1.4(7) . . . . ?
C7 C8 C27 C28 -0.1(5) . . . . ?
C9 C8 C27 C28 -179.3(3) . . . . ?
C8 C27 C28 C5 -0.5(5) . . . . ?
C6 C5 C28 C27 0.8(5) . . . . ?
C4 C5 C28 C27 -179.9(3) . . . . ?
C3 C4 C29 C30 0.0(5) . . . . ?
C5 C4 C29 C30 179.8(3) . . . . ?
C2 N1 C30 C29 1.4(5) . . . . ?
C2 N1 C30 C31 -178.7(3) . . . . ?
C4 C29 C30 N1 -0.2(6) . . . . ?
C4 C29 C30 C31 179.9(4) . . . . ?
N1 C30 C31 N32 157.2(4) . . . . ?
C29 C30 C31 N32 -22.9(6) . . . . ?
N1 C30 C31 C36 -22.0(6) . . . . ?
C29 C30 C31 C36 157.9(4) . . . . ?
C36 C31 N32 C33 0.4(7) . . . . ?
C30 C31 N32 C33 -178.8(4) . . . . ?
C31 N32 C33 C34 0.5(8) . . . . ?
N32 C33 C34 C35 -1.9(9) . . . . ?
C33 C34 C35 C36 2.4(8) . . . . ?
N32 C31 C36 C35 0.2(7) . . . . ?
C30 C31 C36 C35 179.4(4) . . . . ?
C34 C35 C36 C31 -1.6(8) . . . . ?
N1 C2 C37 N42 -175.3(3) . . . . ?
C3 C2 C37 N42 3.5(5) . . . . ?
N1 C2 C37 C38 3.7(5) . . . . ?
C3 C2 C37 C38 -177.5(4) . . . . ?
N42 C37 C38 C39 -0.3(6) . . . . ?
C2 C37 C38 C39 -179.3(4) . . . . ?
C37 C38 C39 C40 0.2(7) . . . . ?
C38 C39 C40 C41 0.6(7) . . . . ?
C39 C40 C41 N42 -1.4(7) . . . . ?
C38 C37 N42 C41 -0.3(6) . . . . ?
C2 C37 N42 C41 178.6(4) . . . . ?
C40 C41 N42 C37 1.2(7) . . . . ?

_refine_diff_density_max         0.412
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.051

# start Validation Reply Form
_vrf_STRVA01_2025_Uniandes_Cu_64_Eu-RDvr-2 
;
PROBLEM: Flack parameter is too small
RESPONSE: This compound is a weak anomalous scatterer due to the 
absence of heavier atoms. However, the Flack paramenter value
by classical fit using all intesities has a value of 0.258(789). 
The s.u. is high which prevent us to confidently derive an absolute
structure. Nevertheless, the present structure is the best refinement
accomplished.
;
_vrf_PLAT094_2025_Uniandes_Cu_64_Eu-RDvr-2 
;
PROBLEM: Ratio of Maximum / Minimum Residual Density ....       2.01 Report
RESPONSE: The maximum residual density is placed in a region of 
low probability for an atom or potential disorder. This alert is related 
to the size of the crystal and the absorption correction. The molecular model is
justified by the chemical analysis.
;
_vrf_PLAT340_2025_Uniandes_Cu_64_Eu-RDvr-2 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.00539 Ang.  
RESPONSE: The quality of the available crystals is low.
;
# end Validation Reply Form

