#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/61/7026155.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7026155
loop_
_publ_author_name
'Oguadinma, Paul O.'
'Rodrigue-Witchel, Alexandre'
'Reber, Christian'
'Schaper, Frank'
_publ_section_title
;
 Intramolecular pi-stacking in copper(I) diketiminate phenanthroline
 complexes.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8759
_journal_page_last               8768
_journal_paper_doi               10.1039/c0dt00240b
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C49 H49 Cu N4 O6'
_chemical_formula_sum            'C49 H49 Cu N4 O6'
_chemical_formula_weight         853.47
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 124.751(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.122(2)
_cell_length_b                   14.1366(12)
_cell_length_c                   14.6893(13)
_cell_measurement_reflns_used    17652
_cell_measurement_temperature    150
_cell_measurement_theta_max      67.41
_cell_measurement_theta_min      3.84
_cell_volume                     4115.7(6)
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS, 2006a)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_molecular_graphics    'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Helios optics'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            43433
_diffrn_reflns_theta_full        67.85
_diffrn_reflns_theta_max         67.85
_diffrn_reflns_theta_min         3.84
_exptl_absorpt_coefficient_mu    1.207
_exptl_absorpt_correction_T_max  0.9414
_exptl_absorpt_correction_T_min  0.5296
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.262
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0648P)²+1.5215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                3232
_reflns_number_total             3707
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt00240b.txt
_cod_data_source_block           paul29
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (38
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (54
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (75 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7026155
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.5000 0.28450(2) 0.2500 0.03185(13) Uani 1 2 d S
O1 O 0.28472(6) 0.55262(8) -0.04143(9) 0.0367(3) Uani 1 1 d .
O2 O 0.26927(6) 0.48820(9) -0.22392(9) 0.0408(3) Uani 1 1 d .
O3 O 0.29213(7) 0.30633(9) -0.24476(10) 0.0407(3) Uani 1 1 d .
N1 N 0.42362(6) 0.19671(9) 0.18299(11) 0.0285(3) Uani 1 1 d .
N2 N 0.52126(7) 0.39405(10) 0.18196(11) 0.0341(3) Uani 1 1 d .
C1 C 0.37729(9) 0.03447(13) 0.14670(16) 0.0411(4) Uani 1 1 d .
H1A H 0.3523 0.0450 0.1800 0.062 Uiso 1 1 calc R
H1B H 0.3953 -0.0301 0.1630 0.062 Uiso 1 1 calc R
H1C H 0.3470 0.0431 0.0663 0.062 Uiso 1 1 calc R
C2 C 0.43520(8) 0.10488(11) 0.19458(12) 0.0286(3) Uani 1 1 d .
C3 C 0.5000 0.06404(16) 0.2500 0.0311(5) Uani 1 2 d S
H3A H 0.5000 -0.0032 0.2500 0.037 Uiso 1 2 calc SR
C4 C 0.33393(7) 0.30271(12) 0.03986(13) 0.0302(3) Uani 1 1 d .
C5 C 0.32187(7) 0.39727(12) 0.04885(13) 0.0304(3) Uani 1 1 d .
H5A H 0.3291 0.4202 0.1156 0.036 Uiso 1 1 calc R
C6 C 0.29908(8) 0.45852(11) -0.04058(13) 0.0308(3) Uani 1 1 d .
C7 C 0.28860(8) 0.42562(12) -0.13840(13) 0.0321(4) Uani 1 1 d .
C8 C 0.30186(8) 0.33101(12) -0.14625(13) 0.0332(4) Uani 1 1 d .
C9 C 0.32384(8) 0.26984(12) -0.05764(13) 0.0320(4) Uani 1 1 d .
H9A H 0.3320 0.2052 -0.0639 0.038 Uiso 1 1 calc R
C10 C 0.35560(8) 0.23454(12) 0.13443(13) 0.0318(4) Uani 1 1 d .
H10A H 0.3544 0.2676 0.1927 0.038 Uiso 1 1 calc R
H10B H 0.3231 0.1814 0.1068 0.038 Uiso 1 1 calc R
C11 C 0.29651(11) 0.59122(14) 0.05717(15) 0.0475(5) Uani 1 1 d .
H11A H 0.2837 0.6582 0.0455 0.071 Uiso 1 1 calc R
H11B H 0.3445 0.5852 0.1173 0.071 Uiso 1 1 calc R
H11C H 0.2695 0.5570 0.0770 0.071 Uiso 1 1 calc R
C12 C 0.20101(11) 0.47673(16) -0.31570(15) 0.0513(5) Uani 1 1 d .
H12A H 0.1927 0.5146 -0.3782 0.077 Uiso 1 1 calc R
H12B H 0.1709 0.4978 -0.2950 0.077 Uiso 1 1 calc R
H12C H 0.1924 0.4099 -0.3371 0.077 Uiso 1 1 calc R
C13 C 0.30220(13) 0.21006(14) -0.25848(17) 0.0520(5) Uani 1 1 d .
H13A H 0.2939 0.2012 -0.3314 0.078 Uiso 1 1 calc R
H13B H 0.2709 0.1705 -0.2529 0.078 Uiso 1 1 calc R
H13C H 0.3487 0.1919 -0.2006 0.078 Uiso 1 1 calc R
C14 C 0.55016(8) 0.39226(13) 0.12600(14) 0.0379(4) Uani 1 1 d .
C15 C 0.57480(9) 0.47603(14) 0.10860(15) 0.0475(5) Uani 1 1 d .
H17A H 0.5983 0.4729 0.0744 0.057 Uiso 1 1 calc R
C16 C 0.56513(10) 0.56084(15) 0.14036(16) 0.0522(6) Uani 1 1 d .
H16A H 0.5807 0.6171 0.1264 0.063 Uiso 1 1 calc R
C17 C 0.53208(9) 0.56573(13) 0.19411(15) 0.0465(5) Uani 1 1 d .
C18 C 0.51594(10) 0.65203(13) 0.22427(17) 0.0573(6) Uani 1 1 d .
H19A H 0.5278 0.7105 0.2079 0.069 Uiso 1 1 calc R
C19 C 0.51395(8) 0.47875(12) 0.21779(14) 0.0383(4) Uani 1 1 d .
C20 C 0.55224(9) 0.30182(13) 0.07716(14) 0.0379(4) Uani 1 1 d .
C21 C 0.60105(10) 0.28546(16) 0.05533(17) 0.0492(5) Uani 1 1 d .
H20A H 0.6350 0.3314 0.0759 0.059 Uiso 1 1 calc R
C22 C 0.59983(11) 0.20289(18) 0.00408(18) 0.0565(6) Uani 1 1 d .
H21A H 0.6328 0.1932 -0.0112 0.068 Uiso 1 1 calc R
C23 C 0.55173(11) 0.13426(16) -0.02544(17) 0.0536(5) Uani 1 1 d .
H22A H 0.5514 0.0776 -0.0606 0.064 Uiso 1 1 calc R
C24 C 0.50376(10) 0.14935(14) -0.00292(16) 0.0450(4) Uani 1 1 d .
H23A H 0.4707 0.1023 -0.0219 0.054 Uiso 1 1 calc R
C25 C 0.50373(9) 0.23225(13) 0.04692(14) 0.0377(4) Uani 1 1 d .
H24A H 0.4702 0.2419 0.0607 0.045 Uiso 1 1 calc R
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 CU1 N1 . 2_655 101.36(8) y
N1 CU1 N2 . . 130.95(5) y
N1 CU1 N2 2_655 . 107.29(6) y
N1 CU1 N2 . 2_655 107.29(6) y
N1 CU1 N2 2_655 2_655 130.95(5) y
N2 CU1 N2 . 2_655 82.52(8) y
C6 O1 C11 . . 117.47(13) y
C7 O2 C12 . . 113.38(14) y
C8 O3 C13 . . 117.00(14) y
C2 N1 C10 . . 121.17(13) y
C2 N1 CU1 . . 119.32(10) y
C10 N1 CU1 . . 118.97(10) y
C14 N2 C19 . . 118.64(15) y
C14 N2 CU1 . . 129.80(12) y
C19 N2 CU1 . . 110.56(12) y
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
N1 C2 C3 . . 124.14(15) y
N1 C2 C1 . . 120.88(14) y
C3 C2 C1 . . 114.98(15) y
C2 C3 C2 2_655 . 131.7(2) y
C2 C3 H3A 2_655 . 114.2 ?
C2 C3 H3A . . 114.2 ?
C9 C4 C5 . . 119.76(15) y
C9 C4 C10 . . 119.86(15) y
C5 C4 C10 . . 120.34(15) y
C4 C5 C6 . . 119.86(15) y
C4 C5 H5A . . 120.1 ?
C6 C5 H5A . . 120.1 ?
O1 C6 C7 . . 114.75(14) y
O1 C6 C5 . . 124.81(15) y
C7 C6 C5 . . 120.44(15) y
O2 C7 C6 . . 119.60(15) y
O2 C7 C8 . . 120.86(15) y
C6 C7 C8 . . 119.42(15) y
O3 C8 C9 . . 124.98(15) y
O3 C8 C7 . . 114.92(14) y
C9 C8 C7 . . 120.10(15) y
C4 C9 C8 . . 120.40(16) y
C4 C9 H9A . . 119.8 ?
C8 C9 H9A . . 119.8 ?
N1 C10 C4 . . 112.49(13) y
N1 C10 H10A . . 109.1 ?
C4 C10 H10A . . 109.1 ?
N1 C10 H10B . . 109.1 ?
C4 C10 H10B . . 109.1 ?
H10A C10 H10B . . 107.8 ?
O1 C11 H11A . . 109.5 ?
O1 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
O1 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
O2 C12 H12A . . 109.5 ?
O2 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
O2 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
O3 C13 H13A . . 109.5 ?
O3 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
O3 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N2 C14 C15 . . 120.80(18) y
N2 C14 C20 . . 118.95(15) y
C15 C14 C20 . . 120.16(17) y
C16 C15 C14 . . 120.5(2) y
C16 C15 H17A . . 119.8 ?
C14 C15 H17A . . 119.8 ?
C15 C16 C17 . . 120.03(18) y
C15 C16 H16A . . 120 ?
C17 C16 H16A . . 120 ?
C16 C17 C19 . . 116.69(19) y
C16 C17 C18 . . 123.96(18) y
C19 C17 C18 . . 119.4(2) y
C18 C18 C17 2_655 . 121.14(12) y
C18 C18 H19A 2_655 . 119.4 ?
C17 C18 H19A . . 119.4 ?
N2 C19 C17 . . 122.97(18) y
N2 C19 C19 . 2_655 117.83(10) y
C17 C19 C19 . 2_655 119.20(13) y
C25 C20 C21 . . 118.16(18) y
C25 C20 C14 . . 120.65(16) y
C21 C20 C14 . . 121.13(17) y
C22 C21 C20 . . 120.25(19) y
C22 C21 H20A . . 119.9 ?
C20 C21 H20A . . 119.9 ?
C23 C22 C21 . . 121.26(19) y
C23 C22 H21A . . 119.4 ?
C21 C22 H21A . . 119.4 ?
C22 C23 C24 . . 118.9(2) y
C22 C23 H22A . . 120.6 ?
C24 C23 H22A . . 120.6 ?
C25 C24 C23 . . 120.6(2) y
C25 C24 H23A . . 119.7 ?
C23 C24 H23A . . 119.7 ?
C24 C25 C20 . . 120.90(18) y
C24 C25 H24A . . 119.6 ?
C20 C25 H24A . . 119.6 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N1 . 1.9585(13) y
Cu1 N1 2_655 1.9585(13) y
Cu1 N2 . 2.0603(14) y
Cu1 N2 2_655 2.0603(14) y
O1 C6 . 1.373(2) y
O1 C11 . 1.417(2) y
O2 C7 . 1.382(2) y
O2 C12 . 1.423(2) y
O3 C8 . 1.372(2) y
O3 C13 . 1.417(2) y
N1 C2 . 1.318(2) y
N1 C10 . 1.467(2) y
N2 C14 . 1.347(2) y
N2 C19 . 1.359(2) y
C1 C2 . 1.522(2) y
C1 H1a . 0.98 ?
C1 H1b . 0.98 ?
C1 H1c . 0.98 ?
C2 C3 . 1.4102(18) y
C3 C2 2_655 1.4102(18) y
C3 H3a . 0.95 ?
C4 C9 . 1.389(2) y
C4 C5 . 1.390(2) y
C4 C10 . 1.518(2) y
C5 C6 . 1.398(2) y
C5 H5a . 0.95 ?
C6 C7 . 1.390(2) y
C7 C8 . 1.395(2) y
C8 C9 . 1.392(2) y
C9 H9a . 0.95 ?
C10 H10a . 0.99 ?
C10 H10b . 0.99 ?
C11 H11a . 0.98 ?
C11 H11b . 0.98 ?
C11 H11c . 0.98 ?
C12 H12a . 0.98 ?
C12 H12b . 0.98 ?
C12 H12c . 0.98 ?
C13 H13a . 0.98 ?
C13 H13b . 0.98 ?
C13 H13c . 0.98 ?
C14 C15 . 1.412(2) y
C14 C20 . 1.481(3) y
C15 C16 . 1.354(3) y
C15 H17a . 0.95 ?
C16 C17 . 1.408(3) y
C16 H16a . 0.95 ?
C17 C19 . 1.413(2) y
C17 C18 . 1.426(3) y
C18 C18 2_655 1.351(5) y
C18 H19a . 0.95 ?
C19 C19 2_655 1.440(4) y
C20 C25 . 1.393(3) y
C20 C21 . 1.405(3) y
C21 C22 . 1.380(3) y
C21 H20a . 0.95 ?
C22 C23 . 1.379(3) y
C22 H21a . 0.95 ?
C23 C24 . 1.389(3) y
C23 H22a . 0.95 ?
C24 C25 . 1.382(3) y
C24 H23a . 0.95 ?
C25 H24a . 0.95 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 CU1 N1 C2 2_655 . 1.05(9) y
N2 CU1 N1 C2 . . 126.20(12) y
N2 CU1 N1 C2 2_655 . -138.66(12) y
N1 CU1 N1 C10 2_655 . 172.69(13) y
N2 CU1 N1 C10 . . -62.16(14) y
N2 CU1 N1 C10 2_655 . 32.98(12) y
N1 CU1 N2 C14 . . -82.82(15) y
N1 CU1 N2 C14 2_655 . 40.09(15) y
N2 CU1 N2 C14 2_655 . 170.75(17) y
N1 CU1 N2 C19 . . 108.98(11) y
N1 CU1 N2 C19 2_655 . -128.10(11) y
N2 CU1 N2 C19 2_655 . 2.55(8) y
C10 N1 C2 C3 . . -173.62(12) y
CU1 N1 C2 C3 . . -2.2(2) y
C10 N1 C2 C1 . . 6.7(2) y
CU1 N1 C2 C1 . . 178.14(12) y
N1 C2 C3 C2 . 2_655 1.30(12) y
C1 C2 C3 C2 . 2_655 -178.99(14) y
C9 C4 C5 C6 . . 0.6(2) y
C10 C4 C5 C6 . . -177.19(14) y
C11 O1 C6 C7 . . -177.96(15) y
C11 O1 C6 C5 . . 2.7(2) y
C4 C5 C6 O1 . . 179.09(14) y
C4 C5 C6 C7 . . -0.2(2) y
C12 O2 C7 C6 . . -108.41(18) y
C12 O2 C7 C8 . . 75.7(2) y
O1 C6 C7 O2 . . 3.8(2) y
C5 C6 C7 O2 . . -176.80(14) y
O1 C6 C7 C8 . . 179.79(14) y
C5 C6 C7 C8 . . -0.8(2) y
C13 O3 C8 C9 . . 3.2(3) y
C13 O3 C8 C7 . . -177.41(17) y
O2 C7 C8 O3 . . -1.9(2) y
C6 C7 C8 O3 . . -177.86(14) y
O2 C7 C8 C9 . . 177.45(14) y
C6 C7 C8 C9 . . 1.5(2) y
C5 C4 C9 C8 . . 0.1(2) y
C10 C4 C9 C8 . . 177.91(14) y
O3 C8 C9 C4 . . 178.14(15) y
C7 C8 C9 C4 . . -1.2(2) y
C2 N1 C10 C4 . . -127.61(16) y
CU1 N1 C10 C4 . . 60.91(16) y
C9 C4 C10 N1 . . 66.38(19) y
C5 C4 C10 N1 . . -115.84(16) y
C19 N2 C14 C15 . . 2.5(2) y
CU1 N2 C14 C15 . . -164.93(12) y
C19 N2 C14 C20 . . -174.04(14) y
CU1 N2 C14 C20 . . 18.6(2) y
N2 C14 C15 C16 . . -5.2(3) y
C20 C14 C15 C16 . . 171.31(16) y
C14 C15 C16 C17 . . 1.9(3) y
C15 C16 C17 C19 . . 3.6(3) y
C15 C16 C17 C18 . . -175.93(17) y
C16 C17 C18 C18 . 2_655 179.9(2) y
C19 C17 C18 C18 . 2_655 0.5(3) y
C14 N2 C19 C17 . . 3.4(2) y
CU1 N2 C19 C17 . . 173.07(13) y
C14 N2 C19 C19 . 2_655 -176.95(17) y
CU1 N2 C19 C19 . 2_655 -7.3(2) y
C16 C17 C19 N2 . . -6.4(2) y
C18 C17 C19 N2 . . 173.12(16) y
C16 C17 C19 C19 . 2_655 173.95(18) y
C18 C17 C19 C19 . 2_655 -6.5(3) y
N2 C14 C20 C25 . . 26.9(2) y
C15 C14 C20 C25 . . -149.63(17) y
N2 C14 C20 C21 . . -156.07(16) y
C15 C14 C20 C21 . . 27.4(2) y
C25 C20 C21 C22 . . 0.8(3) y
C14 C20 C21 C22 . . -176.35(17) y
C20 C21 C22 C23 . . -0.9(3) y
C21 C22 C23 C24 . . 0.1(3) y
C22 C23 C24 C25 . . 0.8(3) y
C23 C24 C25 C20 . . -1.0(3) y
C21 C20 C25 C24 . . 0.2(3) y
C14 C20 C25 C24 . . 177.28(16) y
loop_
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1 PubChem 139161997
