#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000270.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_7000270
loop_
_publ_author_name
'Palma, Aniello'
'Gallagher, John F.'
'Müller-Bunz, Helge'
'Wolowska, Joanna'
'McInnes, Eric J.L.'
'O'Shea, Donal F.'
_publ_section_title
;
 Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of
 tetraphenylazadipyrromethene
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              273
_journal_page_last               279
_journal_paper_doi               10.1039/b811764k
_journal_year                    2009
_chemical_formula_moiety         'C64 H44 Cu N6'
_chemical_formula_sum            'C64 H44 Cu N6'
_chemical_formula_weight         960.59
_chemical_melting_point          585
_chemical_name_systematic
;
?
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.8465(18)
_cell_length_b                   44.707(4)
_cell_length_c                   10.6333(10)
_cell_measurement_reflns_used    4554
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      2.2
_cell_volume                     9434.7(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14342
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.514
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3992
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   -0.003(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4755
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0618P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                4342
_reflns_number_total             4755
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b811764k.txt
_cod_data_source_block           Copper
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        9434.6(15)
_cod_database_code               7000270
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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 0.2500 0.2500 0.99621(4) 0.01690(12) Uani 1 2 d S . .
C1 C 0.19596(14) 0.15744(6) 1.1819(3) 0.0229(6) Uani 1 1 d . . .
H1 H 0.1543 0.1492 1.1548 0.027 Uiso 1 1 calc R . .
C2 C 0.24535(13) 0.13890(6) 1.2310(3) 0.0307(7) Uani 1 1 d . . .
H2 H 0.2370 0.1181 1.2393 0.037 Uiso 1 1 calc R . .
C3 C 0.30669(15) 0.15061(6) 1.2681(3) 0.0335(7) Uani 1 1 d . . .
H3 H 0.3409 0.1377 1.2993 0.040 Uiso 1 1 calc R . .
C4 C 0.31826(13) 0.18105(6) 1.2598(3) 0.0269(6) Uani 1 1 d . . .
H4 H 0.3604 0.1891 1.2854 0.032 Uiso 1 1 calc R . .
C5 C 0.26816(13) 0.19981(6) 1.2138(2) 0.0225(6) Uani 1 1 d . . .
H5 H 0.2756 0.2208 1.2109 0.027 Uiso 1 1 calc R . .
C6 C 0.20741(13) 0.18821(5) 1.1723(2) 0.0191(5) Uani 1 1 d . . .
C7 C 0.15405(13) 0.20726(5) 1.1191(2) 0.0179(5) Uani 1 1 d . . .
N1 N 0.16616(10) 0.23397(4) 1.0661(2) 0.0170(4) Uani 1 1 d . . .
C8 C 0.08416(13) 0.20066(5) 1.1190(2) 0.0205(5) Uani 1 1 d . . .
H8 H 0.0636 0.1831 1.1513 0.025 Uiso 1 1 calc R . .
C9 C 0.05178(13) 0.22440(5) 1.0638(2) 0.0188(5) Uani 1 1 d . . .
C10 C -0.02090(13) 0.22741(6) 1.0405(2) 0.0196(5) Uani 1 1 d . . .
C11 C -0.06639(13) 0.21266(6) 1.1195(3) 0.0246(6) Uani 1 1 d . . .
H11 H -0.0500 0.2012 1.1882 0.029 Uiso 1 1 calc R . .
C12 C -0.13493(14) 0.21456(6) 1.0987(3) 0.0290(6) Uani 1 1 d . . .
H12 H -0.1652 0.2043 1.1526 0.035 Uiso 1 1 calc R . .
C13 C -0.15958(13) 0.23128(6) 1.0002(3) 0.0311(6) Uani 1 1 d . . .
H13 H -0.2068 0.2325 0.9862 0.037 Uiso 1 1 calc R . .
C14 C -0.11537(15) 0.24627(6) 0.9214(3) 0.0288(6) Uani 1 1 d . . .
H14 H -0.1323 0.2581 0.8542 0.035 Uiso 1 1 calc R . .
C15 C -0.04640(13) 0.24404(6) 0.9406(3) 0.0238(6) Uani 1 1 d . . .
H15 H -0.0163 0.2540 0.8850 0.029 Uiso 1 1 calc R . .
C16 C 0.10389(12) 0.24568(5) 1.0318(2) 0.0154(5) Uani 1 1 d . . .
N2 N 0.09147(10) 0.27260(4) 0.9859(2) 0.0188(4) Uani 1 1 d . . .
C17 C 0.13818(12) 0.29184(5) 0.9467(2) 0.0171(5) Uani 1 1 d . . .
N3 N 0.20623(10) 0.28575(4) 0.9303(2) 0.0176(4) Uani 1 1 d . . .
C18 C 0.12404(13) 0.32240(5) 0.9086(2) 0.0176(5) Uani 1 1 d . . .
C19 C 0.05881(13) 0.33752(5) 0.8983(2) 0.0194(5) Uani 1 1 d . . .
C20 C -0.00223(12) 0.32476(6) 0.9361(3) 0.0236(6) Uani 1 1 d . . .
H20 H -0.0021 0.3057 0.9752 0.028 Uiso 1 1 calc R . .
C21 C -0.06256(14) 0.33938(6) 0.9178(3) 0.0280(6) Uani 1 1 d . . .
H21 H -0.1035 0.3302 0.9433 0.034 Uiso 1 1 calc R . .
C22 C -0.06375(13) 0.36755(6) 0.8622(3) 0.0260(6) Uani 1 1 d . . .
H22 H -0.1054 0.3776 0.8495 0.031 Uiso 1 1 calc R . .
C23 C -0.00366(13) 0.38091(6) 0.8253(3) 0.0262(6) Uani 1 1 d . . .
H23 H -0.0039 0.4002 0.7879 0.031 Uiso 1 1 calc R . .
C24 C 0.05623(13) 0.36591(6) 0.8434(3) 0.0234(6) Uani 1 1 d . . .
H24 H 0.0971 0.3752 0.8178 0.028 Uiso 1 1 calc R . .
C25 C 0.18579(12) 0.33379(5) 0.8733(2) 0.0196(5) Uani 1 1 d . . .
H25 H 0.1943 0.3537 0.8466 0.023 Uiso 1 1 calc R . .
C26 C 0.23418(13) 0.31085(5) 0.8835(2) 0.0185(5) Uani 1 1 d . . .
C27 C 0.30380(13) 0.31268(5) 0.8384(2) 0.0185(5) Uani 1 1 d . . .
C28 C 0.33826(13) 0.33993(6) 0.8433(3) 0.0246(6) Uani 1 1 d . . .
H28 H 0.3169 0.3571 0.8778 0.030 Uiso 1 1 calc R . .
C29 C 0.40361(14) 0.34199(6) 0.7978(3) 0.0277(6) Uani 1 1 d . . .
H29 H 0.4264 0.3607 0.8005 0.033 Uiso 1 1 calc R . .
C30 C 0.43563(13) 0.31743(6) 0.7490(3) 0.0305(6) Uani 1 1 d . . .
H30 H 0.4809 0.3189 0.7204 0.037 Uiso 1 1 calc R . .
C31 C 0.40149(13) 0.29028(6) 0.7414(3) 0.0290(6) Uani 1 1 d . . .
H31 H 0.4230 0.2733 0.7059 0.035 Uiso 1 1 calc R . .
C32 C 0.33666(13) 0.28815(6) 0.7855(3) 0.0231(6) Uani 1 1 d . . .
H32 H 0.3137 0.2696 0.7799 0.028 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'
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
N3 Cu1 N3 137.86(13) . 14 ?
N3 Cu1 N1 102.42(8) . 14 ?
N3 Cu1 N1 93.31(8) 14 14 ?
N3 Cu1 N1 93.31(8) . . ?
N3 Cu1 N1 102.42(8) 14 . ?
N1 Cu1 N1 135.41(13) 14 . ?
C2 C1 C6 120.1(3) . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 119.1(2) . . ?
C5 C6 C7 122.2(2) . . ?
C1 C6 C7 118.7(2) . . ?
N1 C7 C8 111.1(2) . . ?
N1 C7 C6 123.2(2) . . ?
C8 C7 C6 125.7(2) . . ?
C7 N1 C16 106.61(19) . . ?
C7 N1 Cu1 129.58(16) . . ?
C16 N1 Cu1 121.20(16) . . ?
C9 C8 C7 107.3(2) . . ?
C9 C8 H8 126.4 . . ?
C7 C8 H8 126.4 . . ?
C8 C9 C16 105.9(2) . . ?
C8 C9 C10 127.0(2) . . ?
C16 C9 C10 127.0(2) . . ?
C15 C10 C11 118.4(2) . . ?
C15 C10 C9 122.3(2) . . ?
C11 C10 C9 119.3(2) . . ?
C12 C11 C10 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C13 C12 C11 120.4(3) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 120.1(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C10 120.6(3) . . ?
C14 C15 H15 119.7 . . ?
C10 C15 H15 119.7 . . ?
N2 C16 N1 127.2(2) . . ?
N2 C16 C9 123.5(2) . . ?
N1 C16 C9 109.0(2) . . ?
C16 N2 C17 125.0(2) . . ?
N2 C17 N3 126.1(2) . . ?
N2 C17 C18 124.1(2) . . ?
N3 C17 C18 109.7(2) . . ?
C26 N3 C17 106.5(2) . . ?
C26 N3 Cu1 129.22(17) . . ?
C17 N3 Cu1 123.31(16) . . ?
C25 C18 C17 104.6(2) . . ?
C25 C18 C19 126.5(2) . . ?
C17 C18 C19 128.7(2) . . ?
C24 C19 C20 117.3(2) . . ?
C24 C19 C18 118.9(2) . . ?
C20 C19 C18 123.8(2) . . ?
C21 C20 C19 121.2(3) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C22 120.3(3) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 119.6(2) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 119.4(3) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C23 C24 C19 122.1(2) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?
C18 C25 C26 108.4(2) . . ?
C18 C25 H25 125.8 . . ?
C26 C25 H25 125.8 . . ?
N3 C26 C25 110.7(2) . . ?
N3 C26 C27 123.8(2) . . ?
C25 C26 C27 125.2(2) . . ?
C32 C27 C28 118.1(2) . . ?
C32 C27 C26 121.9(2) . . ?
C28 C27 C26 119.9(2) . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 120.8(3) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 119.6(2) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C32 C31 C30 119.8(3) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C27 121.4(2) . . ?
C31 C32 H32 119.3 . . ?
C27 C32 H32 119.3 . . ?
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 N3 1.949(2) . ?
Cu1 N3 1.949(2) 14 ?
Cu1 N1 1.958(2) 14 ?
Cu1 N1 1.958(2) . ?
C1 C2 1.386(4) . ?
C1 C6 1.398(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.383(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.472(3) . ?
C7 N1 1.343(3) . ?
C7 C8 1.418(4) . ?
N1 C16 1.391(3) . ?
C8 C9 1.373(4) . ?
C8 H8 0.9500 . ?
C9 C16 1.446(3) . ?
C9 C10 1.470(4) . ?
C10 C15 1.392(4) . ?
C10 C11 1.398(4) . ?
C11 C12 1.381(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.377(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 N2 1.322(3) . ?
N2 C17 1.332(3) . ?
C17 N3 1.389(3) . ?
C17 C18 1.452(3) . ?
N3 C26 1.347(3) . ?
C18 C25 1.379(4) . ?
C18 C19 1.464(3) . ?
C19 C24 1.398(4) . ?
C19 C20 1.398(4) . ?
C20 C21 1.378(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.392(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.409(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.465(3) . ?
C27 C32 1.394(4) . ?
C27 C28 1.398(3) . ?
C28 C29 1.387(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.371(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.373(4) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C15 H15 N2 0.95 2.53 3.058(3) 115 . yes
C20 H20 N2 0.95 2.38 3.029(3) 126 . yes
C12 H12 Cg1 0.95 2.80 3.560(3) 138 6 yes
C31 H31 Cg2 0.95 2.80 3.602(3) 143 9_554 yes
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
C6 C1 C2 C3 -1.4(4) . . . . ?
C1 C2 C3 C4 1.9(5) . . . . ?
C2 C3 C4 C5 -0.1(4) . . . . ?
C3 C4 C5 C6 -2.2(4) . . . . ?
C4 C5 C6 C1 2.7(4) . . . . ?
C4 C5 C6 C7 -177.9(2) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
C2 C1 C6 C7 179.7(3) . . . . ?
C5 C6 C7 N1 24.2(4) . . . . ?
C1 C6 C7 N1 -156.4(2) . . . . ?
C5 C6 C7 C8 -154.2(3) . . . . ?
C1 C6 C7 C8 25.2(4) . . . . ?
C8 C7 N1 C16 0.9(3) . . . . ?
C6 C7 N1 C16 -177.7(2) . . . . ?
C8 C7 N1 Cu1 -160.48(18) . . . . ?
C6 C7 N1 Cu1 20.9(4) . . . . ?
N3 Cu1 N1 C7 173.0(2) . . . . ?
N3 Cu1 N1 C7 32.4(2) 14 . . . ?
N1 Cu1 N1 C7 -75.5(2) 14 . . . ?
N3 Cu1 N1 C16 14.0(2) . . . . ?
N3 Cu1 N1 C16 -126.68(18) 14 . . . ?
N1 Cu1 N1 C16 125.41(19) 14 . . . ?
N1 C7 C8 C9 -0.2(3) . . . . ?
C6 C7 C8 C9 178.4(2) . . . . ?
C7 C8 C9 C16 -0.7(3) . . . . ?
C7 C8 C9 C10 178.7(2) . . . . ?
C8 C9 C10 C15 -150.6(3) . . . . ?
C16 C9 C10 C15 28.6(4) . . . . ?
C8 C9 C10 C11 28.1(4) . . . . ?
C16 C9 C10 C11 -152.7(3) . . . . ?
C15 C10 C11 C12 0.0(4) . . . . ?
C9 C10 C11 C12 -178.7(2) . . . . ?
C10 C11 C12 C13 -0.6(4) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
C12 C13 C14 C15 1.0(5) . . . . ?
C13 C14 C15 C10 -1.6(4) . . . . ?
C11 C10 C15 C14 1.0(4) . . . . ?
C9 C10 C15 C14 179.8(2) . . . . ?
C7 N1 C16 N2 174.0(2) . . . . ?
Cu1 N1 C16 N2 -22.7(3) . . . . ?
C7 N1 C16 C9 -1.3(3) . . . . ?
Cu1 N1 C16 C9 161.96(17) . . . . ?
C8 C9 C16 N2 -174.3(2) . . . . ?
C10 C9 C16 N2 6.3(4) . . . . ?
C8 C9 C16 N1 1.3(3) . . . . ?
C10 C9 C16 N1 -178.1(2) . . . . ?
N1 C16 N2 C17 10.6(4) . . . . ?
C9 C16 N2 C17 -174.7(2) . . . . ?
C16 N2 C17 N3 9.8(4) . . . . ?
C16 N2 C17 C18 -173.4(2) . . . . ?
N2 C17 N3 C26 176.8(2) . . . . ?
C18 C17 N3 C26 -0.4(3) . . . . ?
N2 C17 N3 Cu1 -13.8(3) . . . . ?
C18 C17 N3 Cu1 169.00(17) . . . . ?
N3 Cu1 N3 C26 -78.7(2) 14 . . . ?
N1 Cu1 N3 C26 30.7(2) 14 . . . ?
N1 Cu1 N3 C26 168.7(2) . . . . ?
N3 Cu1 N3 C17 114.47(19) 14 . . . ?
N1 Cu1 N3 C17 -136.17(18) 14 . . . ?
N1 Cu1 N3 C17 1.83(19) . . . . ?
N2 C17 C18 C25 -178.8(2) . . . . ?
N3 C17 C18 C25 -1.5(3) . . . . ?
N2 C17 C18 C19 -3.7(4) . . . . ?
N3 C17 C18 C19 173.5(2) . . . . ?
C25 C18 C19 C24 2.5(4) . . . . ?
C17 C18 C19 C24 -171.5(2) . . . . ?
C25 C18 C19 C20 -179.9(3) . . . . ?
C17 C18 C19 C20 6.1(4) . . . . ?
C24 C19 C20 C21 1.2(4) . . . . ?
C18 C19 C20 C21 -176.4(3) . . . . ?
C19 C20 C21 C22 -0.8(4) . . . . ?
C20 C21 C22 C23 -0.1(4) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C22 C23 C24 C19 -0.1(4) . . . . ?
C20 C19 C24 C23 -0.8(4) . . . . ?
C18 C19 C24 C23 177.0(2) . . . . ?
C17 C18 C25 C26 2.8(3) . . . . ?
C19 C18 C25 C26 -172.4(2) . . . . ?
C17 N3 C26 C25 2.2(3) . . . . ?
Cu1 N3 C26 C25 -166.38(18) . . . . ?
C17 N3 C26 C27 -172.3(2) . . . . ?
Cu1 N3 C26 C27 19.1(4) . . . . ?
C18 C25 C26 N3 -3.2(3) . . . . ?
C18 C25 C26 C27 171.1(2) . . . . ?
N3 C26 C27 C32 30.5(4) . . . . ?
C25 C26 C27 C32 -143.2(3) . . . . ?
N3 C26 C27 C28 -152.1(3) . . . . ?
C25 C26 C27 C28 34.2(4) . . . . ?
C32 C27 C28 C29 -0.8(4) . . . . ?
C26 C27 C28 C29 -178.3(2) . . . . ?
C27 C28 C29 C30 -0.8(4) . . . . ?
C28 C29 C30 C31 2.0(4) . . . . ?
C29 C30 C31 C32 -1.5(5) . . . . ?
C30 C31 C32 C27 -0.1(4) . . . . ?
C28 C27 C32 C31 1.3(4) . . . . ?
C26 C27 C32 C31 178.7(3) . . . . ?
