#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:23:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179967 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/61/7026149.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_7026149
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         'C33 H33 Cu N4'
_chemical_formula_sum            'C33 H33 Cu N4'
_chemical_formula_weight         549.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.534(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3783(7)
_cell_length_b                   8.7026(4)
_cell_length_c                   22.2668(10)
_cell_measurement_reflns_used    16162
_cell_measurement_temperature    150
_cell_measurement_theta_max      70.43
_cell_measurement_theta_min      3.60
_cell_volume                     2755.4(2)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.064
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            54048
_diffrn_reflns_theta_full        67.83
_diffrn_reflns_theta_max         67.83
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  0.9358
_exptl_absorpt_correction_T_min  0.7979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.318
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         4961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0343
_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)+(0.1025P)²+4.0764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                4635
_reflns_number_total             4961
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt00240b.txt
_cod_data_source_block           paul16
_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 (44
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 (67
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 (103 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7026149
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.25374(5) 0.55144(9) 0.24325(3) 0.0422(2) Uani 1 1 d .
N1 N 0.2500(3) 0.5593(4) 0.33097(16) 0.0334(7) Uani 1 1 d .
N2 N 0.2626(3) 0.7743(5) 0.22842(17) 0.0399(8) Uani 1 1 d .
N3 N 0.1524(3) 0.4179(4) 0.18973(17) 0.0347(8) Uani 1 1 d .
N4 N 0.3386(3) 0.4346(4) 0.19018(16) 0.0367(8) Uani 1 1 d .
C1 C 0.2566(4) 0.6957(7) 0.4287(2) 0.0474(12) Uani 1 1 d .
H1A H 0.3077 0.6300 0.4482 0.071 Uiso 1 1 calc R
H1B H 0.1964 0.6581 0.4386 0.071 Uiso 1 1 calc R
H1C H 0.2669 0.8014 0.4433 0.071 Uiso 1 1 calc R
C2 C 0.2546(3) 0.6918(5) 0.36000(19) 0.0343(9) Uani 1 1 d .
C3 C 0.2575(3) 0.8372(5) 0.3327(2) 0.0361(9) Uani 1 1 d .
H3A H 0.2590 0.9218 0.3598 0.043 Uiso 1 1 calc R
C4 C 0.2586(3) 0.8767(5) 0.2715(2) 0.0369(9) Uani 1 1 d .
C6 C 0.3392(3) 0.3493(5) 0.3914(2) 0.0357(9) Uani 1 1 d .
C7 C 0.4237(4) 0.4210(6) 0.3869(2) 0.0453(11) Uani 1 1 d .
H7A H 0.4237 0.5171 0.3667 0.054 Uiso 1 1 calc R
C8 C 0.5084(4) 0.3544(6) 0.4116(3) 0.0517(13) Uani 1 1 d .
H8A H 0.5660 0.4055 0.4086 0.062 Uiso 1 1 calc R
C9 C 0.5093(4) 0.2143(7) 0.4405(3) 0.0518(13) Uani 1 1 d .
H9A H 0.5674 0.1681 0.4570 0.062 Uiso 1 1 calc R
C10 C 0.4262(4) 0.1418(6) 0.4453(2) 0.0490(12) Uani 1 1 d .
H10A H 0.4267 0.0453 0.4653 0.059 Uiso 1 1 calc R
C11 C 0.3415(4) 0.2084(6) 0.4214(2) 0.0404(10) Uani 1 1 d .
H11A H 0.2843 0.1575 0.4253 0.048 Uiso 1 1 calc R
C12 C 0.2449(3) 0.4178(5) 0.3650(2) 0.0386(10) Uani 1 1 d .
H12A H 0.2096 0.3407 0.3380 0.046 Uiso 1 1 calc R
H12B H 0.2087 0.4380 0.3987 0.046 Uiso 1 1 calc R
C13 C 0.1800(4) 0.7740(6) 0.1235(2) 0.0409(11) Uani 1 1 d .
C14 C 0.0928(4) 0.8125(7) 0.1359(3) 0.0607(15) Uani 1 1 d .
H14A H 0.0868 0.8695 0.1715 0.073 Uiso 1 1 calc R
C15 C 0.0130(5) 0.7692(9) 0.0969(4) 0.076(2) Uani 1 1 d .
H15A H -0.0475 0.7959 0.1059 0.091 Uiso 1 1 calc R
C16 C 0.0215(6) 0.6877(10) 0.0454(3) 0.085(3) Uani 1 1 d .
H16A H -0.0329 0.6588 0.0182 0.103 Uiso 1 1 calc R
C17 C 0.1093(7) 0.6481(10) 0.0334(3) 0.082(2) Uani 1 1 d .
H17A H 0.1156 0.5904 -0.0020 0.099 Uiso 1 1 calc R
C18 C 0.1878(5) 0.6914(7) 0.0722(2) 0.0591(15) Uani 1 1 d .
H18A H 0.2483 0.6638 0.0634 0.071 Uiso 1 1 calc R
C19 C 0.2672(4) 0.8207(7) 0.1658(2) 0.0509(13) Uani 1 1 d .
H19A H 0.3229 0.7727 0.1521 0.061 Uiso 1 1 calc R
H19B H 0.2748 0.9336 0.1641 0.061 Uiso 1 1 calc R
C20 C 0.0602(3) 0.4086(6) 0.1917(2) 0.0427(11) Uani 1 1 d .
C21 C 0.0015(4) 0.3105(7) 0.1530(2) 0.0507(13) Uani 1 1 d .
H21A H -0.0637 0.3047 0.1558 0.061 Uiso 1 1 calc R
C22 C 0.0384(4) 0.2233(7) 0.1114(2) 0.0513(13) Uani 1 1 d .
H22A H -0.0011 0.1566 0.0852 0.062 Uiso 1 1 calc R
C23 C 0.1340(4) 0.2321(6) 0.1073(2) 0.0433(11) Uani 1 1 d .
C24 C 0.1792(5) 0.1486(6) 0.0638(2) 0.0535(14) Uani 1 1 d .
H24A H 0.1427 0.0819 0.0359 0.064 Uiso 1 1 calc R
C25 C 0.2716(5) 0.1631(6) 0.0619(2) 0.0528(14) Uani 1 1 d .
H25A H 0.2991 0.1083 0.0320 0.063 Uiso 1 1 calc R
C26 C 0.3295(4) 0.2596(5) 0.1041(2) 0.0433(11) Uani 1 1 d .
C27 C 0.4272(4) 0.2753(6) 0.1055(2) 0.0502(13) Uani 1 1 d .
H27A H 0.4582 0.2213 0.0772 0.060 Uiso 1 1 calc R
C28 C 0.4770(4) 0.3685(7) 0.1478(3) 0.0524(13) Uani 1 1 d .
H28A H 0.5430 0.3790 0.1492 0.063 Uiso 1 1 calc R
C29 C 0.4305(3) 0.4495(6) 0.1896(2) 0.0437(11) Uani 1 1 d .
C30 C 0.2882(3) 0.3422(5) 0.14773(19) 0.0337(9) Uani 1 1 d .
C31 C 0.1893(3) 0.3310(5) 0.14858(19) 0.0340(9) Uani 1 1 d .
C32 C 0.0219(4) 0.5099(8) 0.2362(3) 0.0613(16) Uani 1 1 d .
H32A H 0.0418 0.6161 0.2309 0.092 Uiso 1 1 calc R
H32B H 0.0457 0.4757 0.2776 0.092 Uiso 1 1 calc R
H32C H -0.0469 0.5044 0.2295 0.092 Uiso 1 1 calc R
C33 C 0.4836(4) 0.5562(9) 0.2352(3) 0.0632(16) Uani 1 1 d .
H33A H 0.4393 0.6239 0.2518 0.095 Uiso 1 1 calc R
H33B H 0.5272 0.6183 0.2154 0.095 Uiso 1 1 calc R
H33C H 0.5192 0.4963 0.2681 0.095 Uiso 1 1 calc R
C5 C 0.2557(4) 1.0479(6) 0.2582(2) 0.0524(12) Uani 1 1 d .
H5A H 0.3098 1.0762 0.2384 0.079 Uiso 1 1 calc R
H5B H 0.2581 1.1051 0.2963 0.079 Uiso 1 1 calc R
H5C H 0.1974 1.0730 0.2313 0.079 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'
N N 0.0311 0.0180 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N1 CU1 N2 98.28(15) y
N1 CU1 N4 133.28(15) y
N2 CU1 N4 109.08(16) y
N1 CU1 N3 117.82(15) y
N2 CU1 N3 120.45(16) y
N4 CU1 N3 79.79(15) y
C2 N1 C12 119.2(4) y
C2 N1 CU1 120.8(3) y
C12 N1 CU1 120.0(3) y
C4 N2 C19 121.4(4) y
C4 N2 CU1 122.2(3) y
C19 N2 CU1 116.3(3) y
C20 N3 C31 118.5(4) y
C20 N3 CU1 128.8(4) y
C31 N3 CU1 112.7(3) y
C29 N4 C30 118.5(4) y
C29 N4 CU1 128.6(3) y
C30 N4 CU1 112.7(3) 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 125.2(4) y
N1 C2 C1 120.2(4) y
C3 C2 C1 114.6(4) y
C2 C3 C4 130.0(4) y
C2 C3 H3A 115 ?
C4 C3 H3A 115 ?
N2 C4 C3 123.2(4) y
N2 C4 C5 121.7(4) y
C3 C4 C5 115.1(4) y
C7 C6 C11 118.2(4) y
C7 C6 C12 122.6(4) y
C11 C6 C12 119.2(4) y
C6 C7 C8 120.8(5) y
C6 C7 H7A 119.6 ?
C8 C7 H7A 119.6 ?
C9 C8 C7 120.1(5) y
C9 C8 H8A 120 ?
C7 C8 H8A 120 ?
C10 C9 C8 119.8(5) y
C10 C9 H9A 120.1 ?
C8 C9 H9A 120.1 ?
C9 C10 C11 120.4(5) y
C9 C10 H10A 119.8 ?
C11 C10 H10A 119.8 ?
C10 C11 C6 120.8(5) y
C10 C11 H11A 119.6 ?
C6 C11 H11A 119.6 ?
N1 C12 C6 115.1(4) y
N1 C12 H12A 108.5 ?
C6 C12 H12A 108.5 ?
N1 C12 H12B 108.5 ?
C6 C12 H12B 108.5 ?
H12A C12 H12B 107.5 ?
C14 C13 C18 119.2(6) y
C14 C13 C19 120.8(5) y
C18 C13 C19 119.9(5) y
C13 C14 C15 120.6(6) y
C13 C14 H14A 119.7 ?
C15 C14 H14A 119.7 ?
C16 C15 C14 119.8(7) y
C16 C15 H15A 120.1 ?
C14 C15 H15A 120.1 ?
C15 C16 C17 119.5(7) y
C15 C16 H16A 120.3 ?
C17 C16 H16A 120.3 ?
C18 C17 C16 120.3(7) y
C18 C17 H17A 119.8 ?
C16 C17 H17A 119.8 ?
C17 C18 C13 120.6(7) y
C17 C18 H18A 119.7 ?
C13 C18 H18A 119.7 ?
N2 C19 C13 111.7(4) y
N2 C19 H19A 109.3 ?
C13 C19 H19A 109.3 ?
N2 C19 H19B 109.3 ?
C13 C19 H19B 109.3 ?
H19A C19 H19B 107.9 ?
N3 C20 C21 121.8(5) y
N3 C20 C32 116.9(5) y
C21 C20 C32 121.3(5) y
C22 C21 C20 119.7(5) y
C22 C21 H21A 120.1 ?
C20 C21 H21A 120.1 ?
C21 C22 C23 120.1(5) y
C21 C22 H22A 120 ?
C23 C22 H22A 120 ?
C22 C23 C31 117.1(5) y
C22 C23 C24 124.4(5) y
C31 C23 C24 118.5(5) y
C25 C24 C23 121.5(5) y
C25 C24 H24A 119.3 ?
C23 C24 H24A 119.3 ?
C24 C25 C26 121.1(5) y
C24 C25 H25A 119.5 ?
C26 C25 H25A 119.5 ?
C27 C26 C30 117.2(5) y
C27 C26 C25 123.6(5) y
C30 C26 C25 119.2(5) y
C28 C27 C26 119.6(5) y
C28 C27 H27A 120.2 ?
C26 C27 H27A 120.2 ?
C27 C28 C29 120.1(5) y
C27 C28 H28A 120 ?
C29 C28 H28A 120 ?
N4 C29 C28 121.7(5) y
N4 C29 C33 117.5(5) y
C28 C29 C33 120.8(5) y
N4 C30 C26 122.9(4) y
N4 C30 C31 117.3(4) y
C26 C30 C31 119.8(5) y
N3 C31 C23 122.7(4) y
N3 C31 C30 117.4(4) y
C23 C31 C30 119.9(4) y
C20 C32 H32A 109.5 ?
C20 C32 H32B 109.5 ?
H32A C32 H32B 109.5 ?
C20 C32 H32C 109.5 ?
H32A C32 H32C 109.5 ?
H32B C32 H32C 109.5 ?
C29 C33 H33A 109.5 ?
C29 C33 H33B 109.5 ?
H33A C33 H33B 109.5 ?
C29 C33 H33C 109.5 ?
H33A C33 H33C 109.5 ?
H33B C33 H33C 109.5 ?
C4 C5 H5A 109.5 ?
C4 C5 H5B 109.5 ?
H5A C5 H5B 109.5 ?
C4 C5 H5C 109.5 ?
H5A C5 H5C 109.5 ?
H5B C5 H5C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N1 1.963(4) y
Cu1 N2 1.975(4) y
Cu1 N4 2.085(4) y
Cu1 N3 2.092(4) y
N1 C2 1.319(6) y
N1 C12 1.454(6) y
N2 C4 1.316(6) y
N2 C19 1.463(6) y
N3 C20 1.335(6) y
N3 C31 1.356(6) y
N4 C29 1.330(7) y
N4 C30 1.364(6) y
C1 C2 1.526(6) y
C1 H1a 0.98 ?
C1 H1b 0.98 ?
C1 H1c 0.98 ?
C2 C3 1.407(6) y
C3 C4 1.409(6) y
C3 H3a 0.95 ?
C4 C5 1.518(7) y
C6 C7 1.383(7) y
C6 C11 1.393(7) y
C6 C12 1.517(6) y
C7 C8 1.387(8) y
C7 H7a 0.95 ?
C8 C9 1.378(8) y
C8 H8a 0.95 ?
C9 C10 1.370(8) y
C9 H9a 0.95 ?
C10 C11 1.382(8) y
C10 H10a 0.95 ?
C11 H11a 0.95 ?
C12 H12a 0.99 ?
C12 H12b 0.99 ?
C13 C14 1.365(8) y
C13 C18 1.369(7) y
C13 C19 1.506(8) y
C14 C15 1.384(10) y
C14 H14a 0.95 ?
C15 C16 1.369(12) y
C15 H15a 0.95 ?
C16 C17 1.373(13) y
C16 H16a 0.95 ?
C17 C18 1.368(10) y
C17 H17a 0.95 ?
C18 H18a 0.95 ?
C19 H19a 0.99 ?
C19 H19b 0.99 ?
C20 C21 1.403(7) y
C20 C32 1.492(8) y
C21 C22 1.365(8) y
C21 H21a 0.95 ?
C22 C23 1.392(8) y
C22 H22a 0.95 ?
C23 C31 1.415(7) y
C23 C24 1.440(8) y
C24 C25 1.342(9) y
C24 H24a 0.95 ?
C25 C26 1.432(8) y
C25 H25a 0.95 ?
C26 C27 1.406(8) y
C26 C30 1.409(6) y
C27 C28 1.362(9) y
C27 H27a 0.95 ?
C28 C29 1.412(7) y
C28 H28a 0.95 ?
C29 C33 1.498(8) y
C30 C31 1.428(6) y
C32 H32a 0.98 ?
C32 H32b 0.98 ?
C32 H32c 0.98 ?
C33 H33a 0.98 ?
C33 H33b 0.98 ?
C33 H33c 0.98 ?
C5 H5a 0.98 ?
C5 H5b 0.98 ?
C5 H5c 0.98 ?
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_publ_flag
N2 CU1 N1 C2 -0.7(4) y
N4 CU1 N1 C2 125.5(3) y
N3 CU1 N1 C2 -131.7(3) y
N2 CU1 N1 C12 -179.0(3) y
N4 CU1 N1 C12 -52.7(4) y
N3 CU1 N1 C12 50.1(4) y
N1 CU1 N2 C4 -4.1(4) y
N4 CU1 N2 C4 -145.7(4) y
N3 CU1 N2 C4 125.1(4) y
N1 CU1 N2 C19 179.9(3) y
N4 CU1 N2 C19 38.4(4) y
N3 CU1 N2 C19 -50.8(4) y
N1 CU1 N3 C20 44.0(5) y
N2 CU1 N3 C20 -75.9(4) y
N4 CU1 N3 C20 177.8(4) y
N1 CU1 N3 C31 -135.6(3) y
N2 CU1 N3 C31 104.5(3) y
N4 CU1 N3 C31 -1.8(3) y
N1 CU1 N4 C29 -64.2(5) y
N2 CU1 N4 C29 58.1(4) y
N3 CU1 N4 C29 177.0(4) y
N1 CU1 N4 C30 122.0(3) y
N2 CU1 N4 C30 -115.6(3) y
N3 CU1 N4 C30 3.2(3) y
C12 N1 C2 C3 -178.4(4) y
CU1 N1 C2 C3 3.3(6) y
C12 N1 C2 C1 1.3(6) y
CU1 N1 C2 C1 -176.9(3) y
N1 C2 C3 C4 -1.6(8) y
C1 C2 C3 C4 178.6(5) y
C19 N2 C4 C3 -177.6(4) y
CU1 N2 C4 C3 6.7(6) y
C19 N2 C4 C5 1.9(7) y
CU1 N2 C4 C5 -173.8(4) y
C2 C3 C4 N2 -4.2(8) y
C2 C3 C4 C5 176.3(5) y
C11 C6 C7 C8 -0.1(8) y
C12 C6 C7 C8 -179.9(5) y
C6 C7 C8 C9 0.7(8) y
C7 C8 C9 C10 -0.8(9) y
C8 C9 C10 C11 0.1(8) y
C9 C10 C11 C6 0.5(8) y
C7 C6 C11 C10 -0.6(7) y
C12 C6 C11 C10 179.3(4) y
C2 N1 C12 C6 -87.9(5) y
CU1 N1 C12 C6 90.4(4) y
C7 C6 C12 N1 4.1(7) y
C11 C6 C12 N1 -175.8(4) y
C18 C13 C14 C15 -0.2(9) y
C19 C13 C14 C15 -179.9(6) y
C13 C14 C15 C16 -0.3(11) y
C14 C15 C16 C17 0.9(11) y
C15 C16 C17 C18 -0.9(11) y
C16 C17 C18 C13 0.3(11) y
C14 C13 C18 C17 0.3(9) y
C19 C13 C18 C17 180.0(6) y
C4 N2 C19 C13 -114.0(5) y
CU1 N2 C19 C13 61.9(5) y
C14 C13 C19 N2 52.4(7) y
C18 C13 C19 N2 -127.3(5) y
C31 N3 C20 C21 0.8(7) y
CU1 N3 C20 C21 -178.8(3) y
C31 N3 C20 C32 -178.1(4) y
CU1 N3 C20 C32 2.3(7) y
N3 C20 C21 C22 -1.1(8) y
C32 C20 C21 C22 177.7(5) y
C20 C21 C22 C23 -0.1(8) y
C21 C22 C23 C31 1.5(8) y
C21 C22 C23 C24 -178.1(5) y
C22 C23 C24 C25 179.5(5) y
C31 C23 C24 C25 -0.1(8) y
C23 C24 C25 C26 1.5(8) y
C24 C25 C26 C27 177.9(5) y
C24 C25 C26 C30 -0.9(8) y
C30 C26 C27 C28 -0.4(7) y
C25 C26 C27 C28 -179.2(5) y
C26 C27 C28 C29 -0.4(8) y
C30 N4 C29 C28 -2.2(7) y
CU1 N4 C29 C28 -175.7(4) y
C30 N4 C29 C33 177.7(5) y
CU1 N4 C29 C33 4.2(7) y
C27 C28 C29 N4 1.8(8) y
C27 C28 C29 C33 -178.1(5) y
C29 N4 C30 C26 1.3(6) y
CU1 N4 C30 C26 175.8(3) y
C29 N4 C30 C31 -178.7(4) y
CU1 N4 C30 C31 -4.2(5) y
C27 C26 C30 N4 0.0(6) y
C25 C26 C30 N4 178.9(4) y
C27 C26 C30 C31 180.0(4) y
C25 C26 C30 C31 -1.2(6) y
C20 N3 C31 C23 0.7(7) y
CU1 N3 C31 C23 -179.7(3) y
C20 N3 C31 C30 -179.5(4) y
CU1 N3 C31 C30 0.1(5) y
C22 C23 C31 N3 -1.8(7) y
C24 C23 C31 N3 177.8(4) y
C22 C23 C31 C30 178.4(4) y
C24 C23 C31 C30 -2.0(7) y
N4 C30 C31 N3 2.8(6) y
C26 C30 C31 N3 -177.2(4) y
N4 C30 C31 C23 -177.4(4) y
C26 C30 C31 C23 2.6(7) y
