#------------------------------------------------------------------------------
#$Date: 2025-08-21 00:01:10 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301838 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/06/4320602.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_4320602
loop_
_publ_author_name
'Brian A. Jazdzewski'
'Patrick L. Holland'
'Maren Pink'
'Victor G. Young'
'Douglas J. E. Spencer'
'William B. Tolman'
_publ_section_title
;
 Three-Coordinate Copper(II)-Phenolate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6097
_journal_page_last               6107
_journal_paper_doi               10.1021/ic010615c
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source        'Brian Jazdzewski'
_chemical_formula_sum            'C36 H48 Cu N2 O2'
_chemical_formula_weight         604.30
_chemical_name_common            00134
_chemical_name_systematic        Me2AcCu(OPhOMe)
_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                90.00
_cell_angle_beta                 99.3350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.420(2)
_cell_length_b                   8.4524(5)
_cell_length_c                   19.7553(11)
_cell_measurement_reflns_used    3308
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      1.00
_cell_volume                     6659.9(6)
_computing_structure_refinement  'SIR92 (Altomare, et al., 1997)'
_computing_structure_solution
;
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32517
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.688
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1999)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2584
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         7608
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.240
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0495P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1530
_reflns_number_gt                4564
_reflns_number_total             7608
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010615c_5.cif
_cod_data_source_block           00134
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        6660.0(7)
_cod_database_code               4320602
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.617800(10) 0.11784(5) 0.03198(2) 0.02698(14) Uani 1 1 d . . .
N1 N 0.58942(7) 0.2886(3) 0.00586(14) 0.0286(7) Uani 1 1 d . . .
N2 N 0.65850(6) 0.2290(3) 0.03431(12) 0.0238(6) Uani 1 1 d . . .
O1 O 0.61660(7) -0.0935(3) 0.04495(12) 0.0422(7) Uani 1 1 d . . .
O2 O 0.66473(8) -0.4375(4) 0.27803(14) 0.0604(9) Uani 1 1 d . . .
C1 C 0.57356(10) 0.5602(4) -0.0280(2) 0.0422(10) Uani 1 1 d . . .
H1A H 0.5628 0.5395 -0.0754 0.063 Uiso 1 1 calc R . .
H1B H 0.5844 0.6643 -0.0255 0.063 Uiso 1 1 calc R . .
H1C H 0.5566 0.5583 0.0022 0.063 Uiso 1 1 calc R . .
C2 C 0.59945(9) 0.4350(4) -0.00571(17) 0.0284(8) Uani 1 1 d . . .
C3 C 0.63300(9) 0.4775(4) 0.00121(16) 0.0286(8) Uani 1 1 d . . .
H3 H 0.6374 0.5853 -0.0076 0.034 Uiso 1 1 calc R . .
C4 C 0.66088(8) 0.3817(4) 0.01945(15) 0.0249(7) Uani 1 1 d . . .
C5 C 0.69477(9) 0.4536(4) 0.02029(19) 0.0350(9) Uani 1 1 d . . .
H5A H 0.7084 0.4376 0.0655 0.052 Uiso 1 1 calc R . .
H5B H 0.6924 0.5671 0.0108 0.052 Uiso 1 1 calc R . .
H5C H 0.7057 0.4030 -0.0148 0.052 Uiso 1 1 calc R . .
C6 C 0.55424(9) 0.2505(4) -0.00505(18) 0.0312(8) Uani 1 1 d . . .
C7 C 0.53928(9) 0.1926(4) -0.06909(19) 0.0346(9) Uani 1 1 d . . .
C8 C 0.50533(9) 0.1556(4) -0.0776(2) 0.0416(10) Uani 1 1 d . . .
H8 H 0.4946 0.1154 -0.1206 0.050 Uiso 1 1 calc R . .
C9 C 0.48683(10) 0.1754(5) -0.0257(2) 0.0459(11) Uani 1 1 d . . .
H9 H 0.4636 0.1500 -0.0330 0.055 Uiso 1 1 calc R . .
C10 C 0.50206(10) 0.2324(5) 0.0371(2) 0.0432(10) Uani 1 1 d . . .
H10 H 0.4891 0.2451 0.0728 0.052 Uiso 1 1 calc R . .
C11 C 0.53602(9) 0.2717(4) 0.0493(2) 0.0377(9) Uani 1 1 d . . .
C12 C 0.55962(10) 0.1647(5) -0.12650(19) 0.0425(10) Uani 1 1 d . . .
H12 H 0.5814 0.2222 -0.1141 0.051 Uiso 1 1 calc R . .
C13 C 0.54250(13) 0.2286(8) -0.1945(2) 0.095(2) Uani 1 1 d . . .
H13A H 0.5212 0.1732 -0.2084 0.143 Uiso 1 1 calc R . .
H13B H 0.5570 0.2123 -0.2292 0.143 Uiso 1 1 calc R . .
H13C H 0.5382 0.3420 -0.1902 0.143 Uiso 1 1 calc R . .
C14 C 0.56750(15) -0.0088(6) -0.1321(3) 0.0838(18) Uani 1 1 d . . .
H14A H 0.5787 -0.0478 -0.0875 0.126 Uiso 1 1 calc R . .
H14B H 0.5823 -0.0234 -0.1662 0.126 Uiso 1 1 calc R . .
H14C H 0.5467 -0.0678 -0.1462 0.126 Uiso 1 1 calc R . .
C15 C 0.55258(10) 0.3292(5) 0.1192(2) 0.0426(10) Uani 1 1 d . . .
H15 H 0.5734 0.3874 0.1130 0.051 Uiso 1 1 calc R . .
C16 C 0.53047(13) 0.4434(6) 0.1517(3) 0.0695(15) Uani 1 1 d . . .
H16A H 0.5213 0.5234 0.1180 0.104 Uiso 1 1 calc R . .
H16B H 0.5439 0.4953 0.1913 0.104 Uiso 1 1 calc R . .
H16C H 0.5121 0.3847 0.1668 0.104 Uiso 1 1 calc R . .
C17 C 0.56304(13) 0.1895(6) 0.1670(2) 0.0693(14) Uani 1 1 d . . .
H17A H 0.5430 0.1338 0.1763 0.104 Uiso 1 1 calc R . .
H17B H 0.5759 0.2283 0.2101 0.104 Uiso 1 1 calc R . .
H17C H 0.5770 0.1169 0.1451 0.104 Uiso 1 1 calc R . .
C18 C 0.68833(8) 0.1350(4) 0.05218(15) 0.0244(7) Uani 1 1 d . . .
C19 C 0.70449(8) 0.1320(4) 0.12086(16) 0.0265(7) Uani 1 1 d . . .
C20 C 0.73189(9) 0.0337(4) 0.13757(18) 0.0356(9) Uani 1 1 d . . .
H20 H 0.7433 0.0306 0.1835 0.043 Uiso 1 1 calc R . .
C21 C 0.74291(9) -0.0601(5) 0.08849(19) 0.0376(9) Uani 1 1 d . . .
H21 H 0.7615 -0.1287 0.1011 0.045 Uiso 1 1 calc R . .
C22 C 0.72711(9) -0.0545(4) 0.02136(19) 0.0353(9) Uani 1 1 d . . .
H22 H 0.7351 -0.1186 -0.0121 0.042 Uiso 1 1 calc R . .
C23 C 0.69955(9) 0.0440(4) 0.00180(16) 0.0268(8) Uani 1 1 d . . .
C24 C 0.69181(9) 0.2338(4) 0.17539(16) 0.0305(8) Uani 1 1 d . . .
H24 H 0.6827 0.3340 0.1527 0.037 Uiso 1 1 calc R . .
C25 C 0.71960(11) 0.2790(6) 0.2341(2) 0.0545(12) Uani 1 1 d . . .
H25A H 0.7273 0.1841 0.2606 0.082 Uiso 1 1 calc R . .
H25B H 0.7109 0.3557 0.2641 0.082 Uiso 1 1 calc R . .
H25C H 0.7384 0.3260 0.2154 0.082 Uiso 1 1 calc R . .
C26 C 0.66327(10) 0.1525(5) 0.20336(19) 0.0451(10) Uani 1 1 d . . .
H26A H 0.6451 0.1288 0.1655 0.068 Uiso 1 1 calc R . .
H26B H 0.6549 0.2225 0.2363 0.068 Uiso 1 1 calc R . .
H26C H 0.6714 0.0539 0.2263 0.068 Uiso 1 1 calc R . .
C27 C 0.68303(10) 0.0504(4) -0.07269(16) 0.0341(9) Uani 1 1 d . . .
H27 H 0.6650 0.1327 -0.0768 0.041 Uiso 1 1 calc R . .
C28 C 0.66636(11) -0.1076(5) -0.0953(2) 0.0496(11) Uani 1 1 d . . .
H28A H 0.6835 -0.1901 -0.0930 0.074 Uiso 1 1 calc R . .
H28B H 0.6545 -0.0984 -0.1425 0.074 Uiso 1 1 calc R . .
H28C H 0.6504 -0.1354 -0.0648 0.074 Uiso 1 1 calc R . .
C29 C 0.70758(11) 0.0981(5) -0.11988(19) 0.0493(11) Uani 1 1 d . . .
H29A H 0.7179 0.1997 -0.1048 0.074 Uiso 1 1 calc R . .
H29B H 0.6956 0.1083 -0.1669 0.074 Uiso 1 1 calc R . .
H29C H 0.7250 0.0171 -0.1183 0.074 Uiso 1 1 calc R . .
C30 C 0.62773(10) -0.1772(4) 0.10271(18) 0.0363(9) Uani 1 1 d . . .
C31 C 0.60613(11) -0.2259(5) 0.1463(2) 0.0461(10) Uani 1 1 d . . .
H31 H 0.5831 -0.1985 0.1358 0.055 Uiso 1 1 calc R . .
C32 C 0.61733(12) -0.3135(5) 0.2045(2) 0.0525(12) Uani 1 1 d . . .
H32 H 0.6020 -0.3465 0.2335 0.063 Uiso 1 1 calc R . .
C33 C 0.65079(11) -0.3529(4) 0.22049(18) 0.0419(10) Uani 1 1 d . . .
C34 C 0.67268(11) -0.3078(4) 0.17713(19) 0.0413(10) Uani 1 1 d . . .
H34 H 0.6957 -0.3363 0.1873 0.050 Uiso 1 1 calc R . .
C35 C 0.66104(10) -0.2215(4) 0.11912(18) 0.0368(9) Uani 1 1 d . . .
H35 H 0.6763 -0.1914 0.0895 0.044 Uiso 1 1 calc R . .
C36 C 0.64420(16) -0.4711(6) 0.3269(2) 0.0833(19) Uani 1 1 d . . .
H36A H 0.6360 -0.3720 0.3438 0.125 Uiso 1 1 calc R . .
H36B H 0.6571 -0.5294 0.3652 0.125 Uiso 1 1 calc R . .
H36C H 0.6251 -0.5355 0.3058 0.125 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 0.0033 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'
Cu Cu 0.3201 1.2651 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 N1 140.87(12) . . ?
O1 Cu1 N2 122.13(12) . . ?
N1 Cu1 N2 96.66(12) . . ?
C2 N1 C6 120.2(3) . . ?
C2 N1 Cu1 125.1(2) . . ?
C6 N1 Cu1 114.6(2) . . ?
C4 N2 C18 120.1(3) . . ?
C4 N2 Cu1 124.8(2) . . ?
C18 N2 Cu1 115.0(2) . . ?
C30 O1 Cu1 128.5(2) . . ?
C33 O2 C36 117.6(4) . . ?
N1 C2 C3 122.9(3) . . ?
N1 C2 C1 119.1(3) . . ?
C3 C2 C1 118.0(3) . . ?
C4 C3 C2 127.9(3) . . ?
N2 C4 C3 122.6(3) . . ?
N2 C4 C5 119.4(3) . . ?
C3 C4 C5 118.0(3) . . ?
C7 C6 C11 122.1(3) . . ?
C7 C6 N1 119.0(3) . . ?
C11 C6 N1 118.9(3) . . ?
C8 C7 C6 117.5(4) . . ?
C8 C7 C12 121.1(3) . . ?
C6 C7 C12 121.4(3) . . ?
C9 C8 C7 121.8(4) . . ?
C8 C9 C10 119.8(4) . . ?
C9 C10 C11 121.5(4) . . ?
C10 C11 C6 117.3(4) . . ?
C10 C11 C15 120.8(4) . . ?
C6 C11 C15 121.9(3) . . ?
C14 C12 C13 110.8(4) . . ?
C14 C12 C7 110.5(3) . . ?
C13 C12 C7 112.5(4) . . ?
C11 C15 C16 112.6(4) . . ?
C11 C15 C17 110.6(3) . . ?
C16 C15 C17 110.6(4) . . ?
C23 C18 C19 121.7(3) . . ?
C23 C18 N2 119.1(3) . . ?
C19 C18 N2 119.1(3) . . ?
C20 C19 C18 118.0(3) . . ?
C20 C19 C24 121.1(3) . . ?
C18 C19 C24 120.8(3) . . ?
C21 C20 C19 121.0(3) . . ?
C22 C21 C20 120.3(3) . . ?
C21 C22 C23 120.8(3) . . ?
C18 C23 C22 118.1(3) . . ?
C18 C23 C27 122.1(3) . . ?
C22 C23 C27 119.8(3) . . ?
C26 C24 C25 110.1(3) . . ?
C26 C24 C19 111.2(3) . . ?
C25 C24 C19 112.7(3) . . ?
C23 C27 C29 112.1(3) . . ?
C23 C27 C28 110.9(3) . . ?
C29 C27 C28 110.7(3) . . ?
O1 C30 C35 121.0(3) . . ?
O1 C30 C31 121.4(4) . . ?
C35 C30 C31 117.5(3) . . ?
C32 C31 C30 121.5(4) . . ?
C33 C32 C31 119.8(4) . . ?
C32 C33 C34 119.6(4) . . ?
C32 C33 O2 124.5(4) . . ?
C34 C33 O2 115.8(4) . . ?
C35 C34 C33 119.7(4) . . ?
C34 C35 C30 121.8(4) . . ?
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
Cu1 O1 1.806(2) . ?
Cu1 N1 1.864(3) . ?
Cu1 N2 1.888(3) . ?
N1 C2 1.333(4) . ?
N1 C6 1.440(4) . ?
N2 C4 1.331(4) . ?
N2 C18 1.439(4) . ?
O1 C30 1.356(4) . ?
O2 C33 1.383(4) . ?
O2 C36 1.400(5) . ?
C1 C2 1.503(5) . ?
C2 C3 1.388(5) . ?
C3 C4 1.387(5) . ?
C4 C5 1.496(5) . ?
C6 C7 1.399(5) . ?
C6 C11 1.409(5) . ?
C7 C8 1.391(5) . ?
C7 C12 1.523(5) . ?
C8 C9 1.374(6) . ?
C9 C10 1.379(5) . ?
C10 C11 1.395(5) . ?
C11 C15 1.513(5) . ?
C12 C14 1.508(6) . ?
C12 C13 1.509(5) . ?
C15 C16 1.526(5) . ?
C15 C17 1.527(6) . ?
C18 C23 1.391(4) . ?
C18 C19 1.407(4) . ?
C19 C20 1.381(5) . ?
C19 C24 1.531(4) . ?
C20 C21 1.381(5) . ?
C21 C22 1.376(5) . ?
C22 C23 1.394(5) . ?
C23 C27 1.515(4) . ?
C24 C26 1.522(5) . ?
C24 C25 1.527(5) . ?
C27 C29 1.522(5) . ?
C27 C28 1.529(5) . ?
C30 C35 1.384(5) . ?
C30 C31 1.384(5) . ?
C31 C32 1.381(5) . ?
C32 C33 1.379(6) . ?
C33 C34 1.381(5) . ?
C34 C35 1.376(5) . ?
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
O1 Cu1 N1 C2 -172.3(2) . . . . ?
N2 Cu1 N1 C2 0.4(3) . . . . ?
O1 Cu1 N1 C6 4.6(3) . . . . ?
N2 Cu1 N1 C6 177.3(2) . . . . ?
O1 Cu1 N2 C4 174.0(2) . . . . ?
N1 Cu1 N2 C4 -0.6(3) . . . . ?
O1 Cu1 N2 C18 -4.4(2) . . . . ?
N1 Cu1 N2 C18 -179.0(2) . . . . ?
N1 Cu1 O1 C30 -121.7(3) . . . . ?
N2 Cu1 O1 C30 66.8(3) . . . . ?
C6 N1 C2 C3 -177.3(3) . . . . ?
Cu1 N1 C2 C3 -0.6(5) . . . . ?
C6 N1 C2 C1 1.9(5) . . . . ?
Cu1 N1 C2 C1 178.7(2) . . . . ?
N1 C2 C3 C4 0.9(6) . . . . ?
C1 C2 C3 C4 -178.4(3) . . . . ?
C18 N2 C4 C3 179.3(3) . . . . ?
Cu1 N2 C4 C3 0.9(4) . . . . ?
C18 N2 C4 C5 1.1(4) . . . . ?
Cu1 N2 C4 C5 -177.3(2) . . . . ?
C2 C3 C4 N2 -1.1(5) . . . . ?
C2 C3 C4 C5 177.2(3) . . . . ?
C2 N1 C6 C7 91.9(4) . . . . ?
Cu1 N1 C6 C7 -85.2(3) . . . . ?
C2 N1 C6 C11 -88.6(4) . . . . ?
Cu1 N1 C6 C11 94.3(3) . . . . ?
C11 C6 C7 C8 -0.1(5) . . . . ?
N1 C6 C7 C8 179.4(3) . . . . ?
C11 C6 C7 C12 -177.7(3) . . . . ?
N1 C6 C7 C12 1.8(5) . . . . ?
C6 C7 C8 C9 0.4(5) . . . . ?
C12 C7 C8 C9 178.0(4) . . . . ?
C7 C8 C9 C10 -0.5(6) . . . . ?
C8 C9 C10 C11 0.4(6) . . . . ?
C9 C10 C11 C6 -0.2(5) . . . . ?
C9 C10 C11 C15 -178.1(4) . . . . ?
C7 C6 C11 C10 0.0(5) . . . . ?
N1 C6 C11 C10 -179.5(3) . . . . ?
C7 C6 C11 C15 177.9(3) . . . . ?
N1 C6 C11 C15 -1.6(5) . . . . ?
C8 C7 C12 C14 -76.1(5) . . . . ?
C6 C7 C12 C14 101.4(4) . . . . ?
C8 C7 C12 C13 48.3(5) . . . . ?
C6 C7 C12 C13 -134.1(4) . . . . ?
C10 C11 C15 C16 -40.9(5) . . . . ?
C6 C11 C15 C16 141.4(4) . . . . ?
C10 C11 C15 C17 83.5(5) . . . . ?
C6 C11 C15 C17 -94.3(4) . . . . ?
C4 N2 C18 C23 -96.9(4) . . . . ?
Cu1 N2 C18 C23 81.7(3) . . . . ?
C4 N2 C18 C19 86.0(4) . . . . ?
Cu1 N2 C18 C19 -95.5(3) . . . . ?
C23 C18 C19 C20 -0.8(5) . . . . ?
N2 C18 C19 C20 176.2(3) . . . . ?
C23 C18 C19 C24 179.7(3) . . . . ?
N2 C18 C19 C24 -3.3(5) . . . . ?
C18 C19 C20 C21 -0.6(5) . . . . ?
C24 C19 C20 C21 178.9(3) . . . . ?
C19 C20 C21 C22 1.4(6) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C19 C18 C23 C22 1.5(5) . . . . ?
N2 C18 C23 C22 -175.6(3) . . . . ?
C19 C18 C23 C27 -178.0(3) . . . . ?
N2 C18 C23 C27 5.0(5) . . . . ?
C21 C22 C23 C18 -0.7(5) . . . . ?
C21 C22 C23 C27 178.8(3) . . . . ?
C20 C19 C24 C26 -95.8(4) . . . . ?
C18 C19 C24 C26 83.7(4) . . . . ?
C20 C19 C24 C25 28.5(5) . . . . ?
C18 C19 C24 C25 -152.0(3) . . . . ?
C18 C23 C27 C29 121.7(4) . . . . ?
C22 C23 C27 C29 -57.7(4) . . . . ?
C18 C23 C27 C28 -114.1(4) . . . . ?
C22 C23 C27 C28 66.5(4) . . . . ?
Cu1 O1 C30 C35 -84.2(4) . . . . ?
Cu1 O1 C30 C31 97.9(4) . . . . ?
O1 C30 C31 C32 178.9(4) . . . . ?
C35 C30 C31 C32 0.9(6) . . . . ?
C30 C31 C32 C33 0.5(7) . . . . ?
C31 C32 C33 C34 -1.6(6) . . . . ?
C31 C32 C33 O2 178.8(4) . . . . ?
C36 O2 C33 C32 -6.9(6) . . . . ?
C36 O2 C33 C34 173.4(4) . . . . ?
C32 C33 C34 C35 1.2(6) . . . . ?
O2 C33 C34 C35 -179.1(3) . . . . ?
C33 C34 C35 C30 0.3(6) . . . . ?
O1 C30 C35 C34 -179.3(3) . . . . ?
C31 C30 C35 C34 -1.4(5) . . . . ?
loop_
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1 PubChem 139133970
