#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:34:30 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/06/7700686.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_7700686
loop_
_publ_author_name
'Ren, Xiaoyu'
'Wesolek, Marcel'
'Braunstein, Pierre'
_publ_section_title
;
 Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic
 NimineCNHCNamine pincer ligands and
 catalytic ethylene oligomerization.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12895
_journal_page_last               12909
_journal_paper_doi               10.1039/c9dt02400j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C44 H68 Cu4 I4 N8'
_chemical_formula_sum            'C44 H68 Cu4 I4 N8'
_chemical_formula_weight         1470.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2013
_audit_update_record
;
2019-02-11 deposited with the CCDC.    2019-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.744(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.7098(8)
_cell_length_b                   8.6227(2)
_cell_length_c                   22.1783(10)
_cell_measurement_reflns_used    9023
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     2608.5(2)
_computing_cell_refinement       'Denzo (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material
'SHELXL-2013 (Sheldrick, 2013) and PLATON (Spek, 2007)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0836
_diffrn_reflns_av_unetI/netI     0.0902
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14983
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.465
_diffrn_reflns_theta_min         1.493
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    4.013
_exptl_absorpt_correction_T_max  0.69225
_exptl_absorpt_correction_T_min  0.48912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULSCAN in PLATON; Spek, 2009)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_description       prism
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.164
_refine_diff_density_min         -3.176
_refine_diff_density_rms         0.482
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         5963
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1020
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0740P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4031
_reflns_number_total             5963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02400j2.cif
_cod_data_source_block           pbxr160406
_cod_depositor_comments
'Adding full bibliography for 7700685--7700692.cif.'
_cod_database_code               7700686
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.1190(6) 0.2362(7) 0.8810(4) 0.0304(16) Uani 1 1 d . .
C2 C 0.1162(6) 0.2301(7) 0.7775(4) 0.0325(17) Uani 1 1 d . .
H2 H 0.1334 0.2065 0.7431 0.039 Uiso 1 1 calc R U
C3 C 0.0397(6) 0.3182(8) 0.7692(4) 0.0329(17) Uani 1 1 d . .
H3 H -0.0073 0.3689 0.7280 0.039 Uiso 1 1 calc R U
C4 C 0.2496(5) 0.0838(7) 0.8752(4) 0.0269(15) Uani 1 1 d . .
C5 C 0.3183(6) 0.1036(8) 0.9519(4) 0.0357(18) Uani 1 1 d . .
H5A H 0.2886 0.0585 0.9777 0.054 Uiso 1 1 calc R U
H5B H 0.3306 0.2143 0.9629 0.054 Uiso 1 1 calc R U
H5C H 0.3803 0.0509 0.9651 0.054 Uiso 1 1 calc R U
C6 C 0.3443(5) -0.1002(7) 0.8579(3) 0.0265(15) Uani 1 1 d . .
C7 C 0.3536(6) -0.2375(7) 0.8954(4) 0.0296(16) Uani 1 1 d . .
C8 C 0.4344(5) -0.3307(8) 0.9125(4) 0.0339(17) Uani 1 1 d . .
H8 H 0.4421 -0.4239 0.9375 0.041 Uiso 1 1 calc R U
C9 C 0.5046(6) -0.2927(8) 0.8942(4) 0.0378(18) Uani 1 1 d . .
H9 H 0.5587 -0.3595 0.9062 0.045 Uiso 1 1 calc R U
C10 C 0.4945(6) -0.1556(9) 0.8583(4) 0.0355(17) Uani 1 1 d . .
H10 H 0.5435 -0.1270 0.8472 0.043 Uiso 1 1 calc R U
C11 C 0.4139(5) -0.0599(8) 0.8385(3) 0.0274(15) Uani 1 1 d . .
C12 C 0.2775(6) -0.2853(8) 0.9144(3) 0.0292(16) Uani 1 1 d . .
H12 H 0.2452 -0.1885 0.9178 0.035 Uiso 1 1 calc R U
C13 C 0.2003(8) -0.3816(15) 0.8585(5) 0.087(3) Uani 1 1 d . .
H13A H 0.2309 -0.4678 0.8475 0.130 Uiso 1 1 calc R U
H13B H 0.1626 -0.3178 0.8170 0.130 Uiso 1 1 calc R U
H13C H 0.1565 -0.4227 0.8743 0.130 Uiso 1 1 calc R U
C14 C 0.3166(8) -0.3703(16) 0.9827(5) 0.087(3) Uani 1 1 d . .
H14A H 0.2617 -0.4031 0.9890 0.130 Uiso 1 1 calc R U
H14B H 0.3596 -0.3011 1.0209 0.130 Uiso 1 1 calc R U
H14C H 0.3537 -0.4616 0.9827 0.130 Uiso 1 1 calc R U
C15 C 0.4016(6) 0.0888(8) 0.7978(4) 0.0385(19) Uani 1 1 d . .
H15 H 0.3298 0.1055 0.7663 0.046 Uiso 1 1 calc R U
C16 C 0.4500(6) 0.0818(10) 0.7527(5) 0.048(2) Uani 1 1 d . .
H16A H 0.5214 0.0779 0.7825 0.072 Uiso 1 1 calc R U
H16B H 0.4320 0.1742 0.7231 0.072 Uiso 1 1 calc R U
H16C H 0.4276 -0.0112 0.7235 0.072 Uiso 1 1 calc R U
C17 C 0.4414(7) 0.2290(9) 0.8467(5) 0.057(3) Uani 1 1 d . .
H17A H 0.4042 0.2418 0.8711 0.086 Uiso 1 1 calc R U
H17B H 0.4346 0.3226 0.8196 0.086 Uiso 1 1 calc R U
H17C H 0.5107 0.2123 0.8806 0.086 Uiso 1 1 calc R U
C18 C -0.0220(6) 0.4143(8) 0.8478(5) 0.0390(19) Uani 1 1 d . .
H18A H -0.0711 0.4648 0.8042 0.047 Uiso 1 1 calc R U
H18B H 0.0166 0.4970 0.8812 0.047 Uiso 1 1 calc R U
C19 C -0.0756(6) 0.3191(8) 0.8774(4) 0.0337(17) Uani 1 1 d . .
H19A H -0.0270 0.2608 0.9187 0.040 Uiso 1 1 calc R U
H19B H -0.1112 0.3901 0.8923 0.040 Uiso 1 1 calc R U
C20 C -0.1471(6) 0.2070(8) 0.8241(4) 0.0341(18) Uani 1 1 d . .
H20A H -0.1944 0.2670 0.7830 0.041 Uiso 1 1 calc R U
H20B H -0.1105 0.1383 0.8093 0.041 Uiso 1 1 calc R U
C21 C -0.2700(6) 0.0127(10) 0.7871(4) 0.045(2) Uani 1 1 d . .
H21A H -0.3093 -0.0538 0.7997 0.067 Uiso 1 1 calc R U
H21B H -0.2315 -0.0520 0.7731 0.067 Uiso 1 1 calc R U
H21C H -0.3135 0.0803 0.7484 0.067 Uiso 1 1 calc R U
C22 C -0.2633(6) 0.2065(9) 0.8663(4) 0.044(2) Uani 1 1 d . .
H22A H -0.3016 0.2797 0.8286 0.067 Uiso 1 1 calc R U
H22B H -0.2202 0.2641 0.9088 0.067 Uiso 1 1 calc R U
H22C H -0.3078 0.1410 0.8743 0.067 Uiso 1 1 calc R U
Cu1 Cu 0.13828(8) 0.17548(11) 0.97056(5) 0.0402(3) Uani 1 1 d . .
Cu2 Cu -0.11394(7) -0.03726(9) 0.93206(5) 0.0334(2) Uani 1 1 d . .
N1 N 0.1643(4) 0.1813(6) 0.8456(3) 0.0268(13) Uani 1 1 d . .
N2 N 0.0444(5) 0.3190(6) 0.8335(3) 0.0356(15) Uani 1 1 d . .
N3 N 0.2591(4) -0.0046(6) 0.8332(3) 0.0252(12) Uani 1 1 d . .
N4 N -0.2034(4) 0.1082(6) 0.8472(3) 0.0290(13) Uani 1 1 d . .
I1 I 0.06096(4) -0.11341(5) 0.94663(2) 0.03021(15) Uani 1 1 d . .
I2 I 0.20814(4) 0.30407(5) 1.08631(3) 0.04197(18) Uani 1 1 d . .
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'
Cu Cu 0.3201 1.2651 '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'
I I -0.4742 1.8119 '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
N2 C1 N1 103.6(6) . .
N2 C1 Cu1 126.0(6) . .
N1 C1 Cu1 129.2(5) . .
C3 C2 N1 106.7(6) . .
C3 C2 H2 126.6 . .
N1 C2 H2 126.6 . .
C2 C3 N2 105.7(6) . .
C2 C3 H3 127.2 . .
N2 C3 H3 127.2 . .
N3 C4 N1 116.1(6) . .
N3 C4 C5 128.2(7) . .
N1 C4 C5 115.6(6) . .
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 . .
C11 C6 C7 121.4(6) . .
C11 C6 N3 117.6(6) . .
C7 C6 N3 120.8(6) . .
C8 C7 C6 117.3(7) . .
C8 C7 C12 120.7(6) . .
C6 C7 C12 122.0(6) . .
C7 C8 C9 122.4(7) . .
C7 C8 H8 118.8 . .
C9 C8 H8 118.8 . .
C8 C9 C10 119.1(7) . .
C8 C9 H9 120.4 . .
C10 C9 H9 120.4 . .
C11 C10 C9 120.9(7) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C6 118.9(6) . .
C10 C11 C15 121.0(7) . .
C6 C11 C15 120.1(6) . .
C13 C12 C7 110.7(6) . .
C13 C12 C14 108.8(8) . .
C7 C12 C14 115.4(7) . .
C13 C12 H12 107.2 . .
C7 C12 H12 107.2 . .
C14 C12 H12 107.2 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C11 C15 C16 113.4(6) . .
C11 C15 C17 111.0(6) . .
C16 C15 C17 109.4(7) . .
C11 C15 H15 107.6 . .
C16 C15 H15 107.6 . .
C17 C15 H15 107.6 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 C19 112.9(6) . .
N2 C18 H18A 109.0 . .
C19 C18 H18A 109.0 . .
N2 C18 H18B 109.0 . .
C19 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C20 C19 C18 111.1(6) . .
C20 C19 H19A 109.4 . .
C18 C19 H19A 109.4 . .
C20 C19 H19B 109.4 . .
C18 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
N4 C20 C19 115.9(6) . .
N4 C20 H20A 108.3 . .
C19 C20 H20A 108.3 . .
N4 C20 H20B 108.3 . .
C19 C20 H20B 108.3 . .
H20A C20 H20B 107.4 . .
N4 C21 H21A 109.5 . .
N4 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N4 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N4 C22 H22A 109.5 . .
N4 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N4 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C1 Cu1 I2 134.7(2) . .
C1 Cu1 Cu2 161.4(2) . 3_557
I2 Cu1 Cu2 61.97(3) . 3_557
C1 Cu1 I1 102.8(2) . .
I2 Cu1 I1 122.43(4) . .
Cu2 Cu1 I1 60.96(3) 3_557 .
N4 Cu2 I2 107.68(16) . 3_557
N4 Cu2 Cu1 133.65(16) . 3_557
I2 Cu2 Cu1 56.06(3) 3_557 3_557
N4 Cu2 I1 116.18(16) . .
I2 Cu2 I1 105.42(3) 3_557 .
Cu1 Cu2 I1 110.13(4) 3_557 .
N4 Cu2 I1 109.84(16) . 3_557
I2 Cu2 I1 116.07(3) 3_557 3_557
Cu1 Cu2 I1 60.44(3) 3_557 3_557
I1 Cu2 I1 101.84(3) . 3_557
C2 N1 C1 111.2(6) . .
C2 N1 C4 124.0(6) . .
C1 N1 C4 124.8(6) . .
C1 N2 C3 112.7(6) . .
C1 N2 C18 124.5(7) . .
C3 N2 C18 122.5(6) . .
C4 N3 C6 119.6(6) . .
C21 N4 C22 108.3(6) . .
C21 N4 C20 106.6(6) . .
C22 N4 C20 110.0(6) . .
C21 N4 Cu2 109.5(4) . .
C22 N4 Cu2 108.7(4) . .
C20 N4 Cu2 113.5(4) . .
Cu2 I1 Cu1 97.56(3) . .
Cu2 I1 Cu2 78.16(3) . 3_557
Cu1 I1 Cu2 58.60(3) . 3_557
Cu1 I2 Cu2 61.97(3) . 3_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.329(9) .
C1 N1 1.378(9) .
C1 Cu1 1.928(7) .
C2 C3 1.354(10) .
C2 N1 1.377(9) .
C2 H2 0.9500 .
C3 N2 1.392(9) .
C3 H3 0.9500 .
C4 N3 1.267(8) .
C4 N1 1.436(9) .
C4 C5 1.506(10) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C11 1.403(10) .
C6 C7 1.413(10) .
C6 N3 1.430(8) .
C7 C8 1.388(10) .
C7 C12 1.507(10) .
C8 C9 1.388(11) .
C8 H8 0.9500 .
C9 C10 1.390(11) .
C9 H9 0.9500 .
C10 C11 1.388(10) .
C10 H10 0.9500 .
C11 C15 1.523(10) .
C12 C13 1.484(13) .
C12 C14 1.513(12) .
C12 H12 1.0000 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.529(11) .
C15 C17 1.534(11) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 N2 1.480(9) .
C18 C19 1.537(10) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.509(10) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 N4 1.489(9) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 N4 1.471(9) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 N4 1.477(9) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
Cu1 I2 2.4958(11) .
Cu1 Cu2 2.6553(13) 3_557
Cu1 I1 2.7060(10) .
Cu2 N4 2.114(6) .
Cu2 I2 2.6552(10) 3_557
Cu2 Cu1 2.6553(13) 3_557
Cu2 I1 2.6841(11) .
Cu2 I1 2.7198(10) 3_557
I1 Cu2 2.7198(10) 3_557
I2 Cu2 2.6552(10) 3_557
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
N1 C2 C3 N2 -0.2(7)
C11 C6 C7 C8 0.2(10)
N3 C6 C7 C8 174.7(6)
C11 C6 C7 C12 -177.7(6)
N3 C6 C7 C12 -3.2(9)
C6 C7 C8 C9 0.3(10)
C12 C7 C8 C9 178.2(7)
C7 C8 C9 C10 0.8(11)
C8 C9 C10 C11 -2.3(11)
C9 C10 C11 C6 2.8(11)
C9 C10 C11 C15 -178.8(7)
C7 C6 C11 C10 -1.7(10)
N3 C6 C11 C10 -176.3(6)
C7 C6 C11 C15 179.8(6)
N3 C6 C11 C15 5.2(9)
C8 C7 C12 C13 -88.7(9)
C6 C7 C12 C13 89.1(9)
C8 C7 C12 C14 35.4(10)
C6 C7 C12 C14 -146.8(8)
C10 C11 C15 C16 28.4(10)
C6 C11 C15 C16 -153.1(7)
C10 C11 C15 C17 -95.2(8)
C6 C11 C15 C17 83.3(9)
N2 C18 C19 C20 -67.2(9)
C18 C19 C20 N4 180.0(6)
C3 C2 N1 C1 0.5(8)
C3 C2 N1 C4 179.6(6)
N2 C1 N1 C2 -0.6(7)
Cu1 C1 N1 C2 167.3(5)
N2 C1 N1 C4 -179.7(6)
Cu1 C1 N1 C4 -11.8(10)
N3 C4 N1 C2 -26.3(9)
C5 C4 N1 C2 151.8(6)
N3 C4 N1 C1 152.6(6)
C5 C4 N1 C1 -29.3(9)
N1 C1 N2 C3 0.5(8)
Cu1 C1 N2 C3 -167.9(5)
N1 C1 N2 C18 -174.2(6)
Cu1 C1 N2 C18 17.4(10)
C2 C3 N2 C1 -0.2(8)
C2 C3 N2 C18 174.6(6)
C19 C18 N2 C1 -59.0(10)
C19 C18 N2 C3 126.8(7)
N1 C4 N3 C6 177.1(5)
C5 C4 N3 C6 -0.7(10)
C11 C6 N3 C4 -108.2(7)
C7 C6 N3 C4 77.2(8)
C19 C20 N4 C21 178.3(6)
C19 C20 N4 C22 61.1(8)
C19 C20 N4 Cu2 -61.0(7)
