#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:52:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179310 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320764.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_4320764
loop_
_publ_author_name
'Volker Raab'
'Jennifer Kipke'
'Olaf Burghaus'
'Jörg Sundermeyer'
_publ_contact_author
;
         Joerg Sundermeyer
         Fachbereich Chemie der Universität
         Philipps Universität Marburg
         Hans-Meerwein-Str.
         35032 Marburg
         Bundesrepublik Deutschland
;
_publ_contact_author_email       jsu@chemie.uni-marburg.de
_publ_contact_author_fax         '+49 6421 2828917 '
_publ_contact_author_phone       '+49 6421 2825693 '
_publ_section_title
;
 Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of
 Tris(2-aminoethyl)amine as Constraint Geometry Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6964
_journal_page_last               6971
_journal_paper_doi               10.1021/ic010563r
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C24 H48 Cl Cu N10 O4'
_chemical_formula_weight         639.71
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 104.458(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.122(2)
_cell_length_b                   11.7901(12)
_cell_length_c                   17.423(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      19.439
_cell_measurement_theta_min      17.512
_cell_volume                     3008.0(6)
_computing_cell_refinement       'CAD4 EXPRESS'
_computing_data_collection       'CAD4 EXPRESS'
_computing_data_reduction        'XCAD4 (Harms, 1997)'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       Omega-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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5477
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.863
_exptl_absorpt_correction_T_max  0.8814
_exptl_absorpt_correction_T_min  0.6529
_exptl_crystal_colour            FARBLOS
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       QUADER
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.217
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0794P)²+5.1090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                4368
_reflns_number_total             5265
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010563r_1.cif
_cod_data_source_block           vr03
_cod_original_cell_volume        3007.9(6)
_cod_database_code               4320764
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.66143(3) 0.74259(3) 0.02162(2) 0.02649(15) Uani 1 1 d . . .
C1 C 0.5424(2) 0.6273(3) 0.1042(2) 0.0333(8) Uani 1 1 d . . .
H1A H 0.4877 0.6203 0.0593 0.040 Uiso 1 1 calc R . .
H1B H 0.5239 0.6111 0.1537 0.040 Uiso 1 1 calc R . .
C2 C 0.6141(3) 0.5411(3) 0.0943(2) 0.0359(8) Uani 1 1 d . . .
H2A H 0.6656 0.5410 0.1423 0.043 Uiso 1 1 calc R . .
H2B H 0.5869 0.4642 0.0878 0.043 Uiso 1 1 calc R . .
C3 C 0.6833(2) 0.4903(3) -0.0107(2) 0.0289(7) Uani 1 1 d . . .
C4 C 0.7559(3) 0.4486(4) -0.1219(3) 0.0465(10) Uani 1 1 d . . .
H4A H 0.8047 0.5020 -0.1265 0.056 Uiso 1 1 calc R . .
H4B H 0.7239 0.4237 -0.1760 0.056 Uiso 1 1 calc R . .
C5 C 0.7982(3) 0.3470(4) -0.0742(3) 0.0481(10) Uani 1 1 d . . .
H5A H 0.8541 0.3697 -0.0341 0.058 Uiso 1 1 calc R . .
H5B H 0.8150 0.2893 -0.1094 0.058 Uiso 1 1 calc R . .
C6 C 0.7284(3) 0.2992(4) -0.0343(3) 0.0453(10) Uani 1 1 d . . .
H6A H 0.6716 0.2804 -0.0746 0.054 Uiso 1 1 calc R . .
H6B H 0.7522 0.2287 -0.0056 0.054 Uiso 1 1 calc R . .
C7 C 0.6463(3) 0.6040(4) -0.1306(2) 0.0430(10) Uani 1 1 d . . .
H7A H 0.6041 0.6384 -0.1029 0.064 Uiso 1 1 calc R . .
H7B H 0.6123 0.5789 -0.1834 0.064 Uiso 1 1 calc R . .
H7C H 0.6924 0.6599 -0.1359 0.064 Uiso 1 1 calc R . .
C8 C 0.7737(3) 0.3781(4) 0.0999(2) 0.0461(10) Uani 1 1 d . . .
H8A H 0.7575 0.4356 0.1346 0.069 Uiso 1 1 calc R . .
H8B H 0.8356 0.3927 0.0943 0.069 Uiso 1 1 calc R . .
H8C H 0.7714 0.3028 0.1230 0.069 Uiso 1 1 calc R . .
C10 C 0.5094(2) 0.8314(3) 0.07695(19) 0.0292(7) Uani 1 1 d . . .
H10A H 0.5352 0.9069 0.0948 0.035 Uiso 1 1 calc R . .
H10B H 0.4558 0.8188 0.0989 0.035 Uiso 1 1 calc R . .
C11 C 0.4791(2) 0.8290(3) -0.01368(19) 0.0299(8) Uani 1 1 d . . .
H11A H 0.4473 0.7568 -0.0318 0.036 Uiso 1 1 calc R . .
H11B H 0.4363 0.8923 -0.0331 0.036 Uiso 1 1 calc R . .
C12 C 0.5517(2) 0.8816(3) -0.11637(19) 0.0265(7) Uani 1 1 d . . .
C13 C 0.6381(3) 0.9216(3) -0.2183(2) 0.0370(8) Uani 1 1 d . . .
H13A H 0.6787 0.8575 -0.2231 0.044 Uiso 1 1 calc R . .
H13B H 0.6678 0.9926 -0.2292 0.044 Uiso 1 1 calc R . .
C14 C 0.5479(3) 0.9078(4) -0.2787(2) 0.0396(9) Uani 1 1 d . . .
H14A H 0.5350 0.8265 -0.2906 0.048 Uiso 1 1 calc R . .
H14B H 0.5495 0.9471 -0.3286 0.048 Uiso 1 1 calc R . .
C15 C 0.4751(3) 0.9590(3) -0.2438(2) 0.0372(8) Uani 1 1 d . . .
H15A H 0.4902 1.0391 -0.2291 0.045 Uiso 1 1 calc R . .
H15B H 0.4154 0.9571 -0.2834 0.045 Uiso 1 1 calc R . .
C16 C 0.7089(2) 0.9505(4) -0.0767(2) 0.0408(9) Uani 1 1 d . . .
H16A H 0.6956 0.9515 -0.0244 0.061 Uiso 1 1 calc R . .
H16B H 0.7321 1.0249 -0.0874 0.061 Uiso 1 1 calc R . .
H16C H 0.7549 0.8923 -0.0775 0.061 Uiso 1 1 calc R . .
C17 C 0.4075(3) 0.7965(4) -0.1897(2) 0.0383(9) Uani 1 1 d . . .
H17A H 0.4077 0.7574 -0.1400 0.058 Uiso 1 1 calc R . .
H17B H 0.4277 0.7440 -0.2255 0.058 Uiso 1 1 calc R . .
H17C H 0.3456 0.8230 -0.2146 0.058 Uiso 1 1 calc R . .
C20 C 0.6430(2) 0.7743(3) 0.1821(2) 0.0321(8) Uani 1 1 d . . .
H20A H 0.6753 0.7053 0.2068 0.039 Uiso 1 1 calc R . .
H20B H 0.6092 0.8063 0.2189 0.039 Uiso 1 1 calc R . .
C21 C 0.7122(2) 0.8604(3) 0.1686(2) 0.0334(8) Uani 1 1 d . . .
H21A H 0.6808 0.9321 0.1484 0.040 Uiso 1 1 calc R . .
H21B H 0.7571 0.8767 0.2194 0.040 Uiso 1 1 calc R . .
C22 C 0.8431(2) 0.8457(3) 0.11578(18) 0.0282(7) Uani 1 1 d . . .
C23 C 0.9751(3) 0.8283(4) 0.0549(2) 0.0426(9) Uani 1 1 d . . .
H23A H 0.9567 0.8402 -0.0032 0.051 Uiso 1 1 calc R . .
H23B H 1.0256 0.7724 0.0663 0.051 Uiso 1 1 calc R . .
C24 C 1.0091(3) 0.9389(4) 0.0949(3) 0.0525(11) Uani 1 1 d . . .
H24A H 0.9800 1.0033 0.0616 0.063 Uiso 1 1 calc R . .
H24B H 1.0760 0.9448 0.1027 0.063 Uiso 1 1 calc R . .
C25 C 0.9852(3) 0.9421(4) 0.1740(2) 0.0419(9) Uani 1 1 d . . .
H25A H 1.0136 0.8768 0.2068 0.050 Uiso 1 1 calc R . .
H25B H 1.0089 1.0127 0.2025 0.050 Uiso 1 1 calc R . .
C26 C 0.8663(2) 0.6728(3) 0.0464(2) 0.0363(8) Uani 1 1 d . . .
H26A H 0.8146 0.6473 0.0665 0.054 Uiso 1 1 calc R . .
H26B H 0.9161 0.6175 0.0610 0.054 Uiso 1 1 calc R . .
H26C H 0.8471 0.6797 -0.0114 0.054 Uiso 1 1 calc R . .
C27 C 0.8413(3) 1.0480(4) 0.1453(3) 0.0522(11) Uani 1 1 d . . .
H27A H 0.7751 1.0388 0.1366 0.078 Uiso 1 1 calc R . .
H27B H 0.8548 1.0813 0.0979 0.078 Uiso 1 1 calc R . .
H27C H 0.8642 1.0981 0.1908 0.078 Uiso 1 1 calc R . .
N1 N 0.57830(19) 0.7437(2) 0.10703(17) 0.0277(6) Uani 1 1 d . . .
N2 N 0.64789(19) 0.5696(2) 0.02469(16) 0.0293(6) Uani 1 1 d . . .
N3 N 0.6909(2) 0.5074(3) -0.08586(17) 0.0334(7) Uani 1 1 d . . .
N4 N 0.7088(2) 0.3830(3) 0.02159(18) 0.0358(7) Uani 1 1 d . . .
N5 N 0.55986(18) 0.8400(2) -0.04542(16) 0.0277(6) Uani 1 1 d . . .
N6 N 0.62624(19) 0.9251(3) -0.13666(16) 0.0310(6) Uani 1 1 d . . .
N7 N 0.46981(19) 0.8937(3) -0.17303(16) 0.0300(6) Uani 1 1 d . . .
N8 N 0.75958(18) 0.8153(2) 0.11093(15) 0.0275(6) Uani 1 1 d . . .
N9 N 0.89767(19) 0.7818(3) 0.08078(17) 0.0315(6) Uani 1 1 d . . .
N10 N 0.8856(2) 0.9373(3) 0.16102(17) 0.0340(7) Uani 1 1 d . . .
Cl1 Cl 0.60116(8) 1.24351(8) -0.30409(7) 0.0491(3) Uani 1 1 d . . .
O2 O 0.6835(4) 1.1942(5) -0.2565(4) 0.153(3) Uani 1 1 d . . .
O1 O 0.5670(6) 1.1624(5) -0.3590(3) 0.157(3) Uani 1 1 d . . .
O4 O 0.6253(3) 1.3452(3) -0.3373(3) 0.0824(12) Uani 1 1 d . . .
O3 O 0.5512(5) 1.2658(5) -0.2513(4) 0.148(3) 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'
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'
Cl Cl 0.1484 0.1585 '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'
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
N5 Cu1 N8 119.92(12) . . ?
N5 Cu1 N2 120.64(11) . . ?
N8 Cu1 N2 116.99(11) . . ?
N5 Cu1 N1 84.67(11) . . ?
N8 Cu1 N1 84.88(11) . . ?
N2 Cu1 N1 84.81(11) . . ?
N1 C1 C2 111.0(3) . . ?
N2 C2 C1 110.1(3) . . ?
N2 C3 N3 119.5(3) . . ?
N2 C3 N4 124.2(3) . . ?
N3 C3 N4 116.1(3) . . ?
N3 C4 C5 112.2(3) . . ?
C4 C5 C6 107.5(3) . . ?
N4 C6 C5 109.5(3) . . ?
N1 C10 C11 111.0(3) . . ?
N5 C11 C10 108.9(3) . . ?
N5 C12 N6 119.8(3) . . ?
N5 C12 N7 124.7(3) . . ?
N6 C12 N7 115.2(3) . . ?
N6 C13 C14 111.6(3) . . ?
C13 C14 C15 107.4(3) . . ?
N7 C15 C14 109.0(3) . . ?
N1 C20 C21 111.0(3) . . ?
N8 C21 C20 109.6(3) . . ?
N8 C22 N9 120.4(3) . . ?
N8 C22 N10 123.7(3) . . ?
N9 C22 N10 115.7(3) . . ?
N9 C23 C24 112.8(3) . . ?
C23 C24 C25 108.2(3) . . ?
N10 C25 C24 109.1(3) . . ?
C10 N1 C20 113.6(3) . . ?
C10 N1 C1 115.0(3) . . ?
C20 N1 C1 114.6(3) . . ?
C10 N1 Cu1 103.86(19) . . ?
C20 N1 Cu1 103.9(2) . . ?
C1 N1 Cu1 104.05(19) . . ?
C3 N2 C2 119.6(3) . . ?
C3 N2 Cu1 130.1(2) . . ?
C2 N2 Cu1 107.9(2) . . ?
C3 N3 C7 119.7(3) . . ?
C3 N3 C4 124.8(3) . . ?
C7 N3 C4 114.4(3) . . ?
C3 N4 C6 115.1(3) . . ?
C3 N4 C8 117.5(3) . . ?
C6 N4 C8 113.0(3) . . ?
C12 N5 C11 119.9(3) . . ?
C12 N5 Cu1 129.4(2) . . ?
C11 N5 Cu1 108.3(2) . . ?
C12 N6 C16 120.8(3) . . ?
C12 N6 C13 123.1(3) . . ?
C16 N6 C13 114.2(3) . . ?
C12 N7 C17 118.5(3) . . ?
C12 N7 C15 115.2(3) . . ?
C17 N7 C15 114.2(3) . . ?
C22 N8 C21 119.3(3) . . ?
C22 N8 Cu1 132.4(2) . . ?
C21 N8 Cu1 106.6(2) . . ?
C22 N9 C26 120.1(3) . . ?
C22 N9 C23 123.4(3) . . ?
C26 N9 C23 114.2(3) . . ?
C22 N10 C27 117.4(3) . . ?
C22 N10 C25 115.3(3) . . ?
C27 N10 C25 113.6(3) . . ?
O3 Cl1 O1 115.9(5) . . ?
O3 Cl1 O4 111.0(3) . . ?
O1 Cl1 O4 113.5(3) . . ?
O3 Cl1 O2 103.7(5) . . ?
O1 Cl1 O2 104.1(4) . . ?
O4 Cl1 O2 107.6(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 N5 2.036(3) . ?
Cu1 N8 2.051(3) . ?
Cu1 N2 2.051(3) . ?
Cu1 N1 2.174(3) . ?
C1 N1 1.472(4) . ?
C1 C2 1.527(5) . ?
C2 N2 1.468(4) . ?
C3 N2 1.306(4) . ?
C3 N3 1.358(4) . ?
C3 N4 1.399(5) . ?
C4 N3 1.465(5) . ?
C4 C5 1.506(6) . ?
C5 C6 1.511(6) . ?
C6 N4 1.468(5) . ?
C7 N3 1.448(5) . ?
C8 N4 1.470(5) . ?
C10 N1 1.468(4) . ?
C10 C11 1.531(5) . ?
C11 N5 1.466(4) . ?
C12 N5 1.307(4) . ?
C12 N6 1.363(4) . ?
C12 N7 1.384(4) . ?
C13 N6 1.478(4) . ?
C13 C14 1.510(5) . ?
C14 C15 1.510(5) . ?
C15 N7 1.473(4) . ?
C16 N6 1.447(5) . ?
C17 N7 1.466(5) . ?
C20 N1 1.469(4) . ?
C20 C21 1.517(5) . ?
C21 N8 1.472(4) . ?
C22 N8 1.295(4) . ?
C22 N9 1.368(4) . ?
C22 N10 1.395(4) . ?
C23 N9 1.462(5) . ?
C23 C24 1.507(6) . ?
C24 C25 1.510(6) . ?
C25 N10 1.467(5) . ?
C26 N9 1.447(5) . ?
C27 N10 1.461(5) . ?
Cl1 O3 1.354(5) . ?
Cl1 O1 1.360(5) . ?
Cl1 O4 1.418(4) . ?
Cl1 O2 1.435(6) . ?
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
N1 C1 C2 N2 -54.4(4) . . . . ?
N3 C4 C5 C6 31.2(5) . . . . ?
C4 C5 C6 N4 -63.6(4) . . . . ?
N1 C10 C11 N5 -55.3(4) . . . . ?
N6 C13 C14 C15 27.8(4) . . . . ?
C13 C14 C15 N7 -63.9(4) . . . . ?
N1 C20 C21 N8 -56.4(4) . . . . ?
N9 C23 C24 C25 26.2(5) . . . . ?
C23 C24 C25 N10 -61.7(5) . . . . ?
C11 C10 N1 C20 149.9(3) . . . . ?
C11 C10 N1 C1 -75.2(3) . . . . ?
C11 C10 N1 Cu1 37.8(3) . . . . ?
C21 C20 N1 C10 -75.4(4) . . . . ?
C21 C20 N1 C1 149.6(3) . . . . ?
C21 C20 N1 Cu1 36.7(3) . . . . ?
C2 C1 N1 C10 150.6(3) . . . . ?
C2 C1 N1 C20 -75.0(4) . . . . ?
C2 C1 N1 Cu1 37.7(3) . . . . ?
N5 Cu1 N1 C10 -11.9(2) . . . . ?
N8 Cu1 N1 C10 108.8(2) . . . . ?
N2 Cu1 N1 C10 -133.4(2) . . . . ?
N5 Cu1 N1 C20 -131.0(2) . . . . ?
N8 Cu1 N1 C20 -10.2(2) . . . . ?
N2 Cu1 N1 C20 107.5(2) . . . . ?
N5 Cu1 N1 C1 108.7(2) . . . . ?
N8 Cu1 N1 C1 -130.5(2) . . . . ?
N2 Cu1 N1 C1 -12.8(2) . . . . ?
N3 C3 N2 C2 161.6(3) . . . . ?
N4 C3 N2 C2 -13.5(5) . . . . ?
N3 C3 N2 Cu1 -38.3(4) . . . . ?
N4 C3 N2 Cu1 146.6(3) . . . . ?
C1 C2 N2 C3 -156.1(3) . . . . ?
C1 C2 N2 Cu1 39.8(3) . . . . ?
N5 Cu1 N2 C3 102.7(3) . . . . ?
N8 Cu1 N2 C3 -95.1(3) . . . . ?
N1 Cu1 N2 C3 -176.7(3) . . . . ?
N5 Cu1 N2 C2 -95.5(2) . . . . ?
N8 Cu1 N2 C2 66.7(2) . . . . ?
N1 Cu1 N2 C2 -14.8(2) . . . . ?
N2 C3 N3 C7 -10.3(5) . . . . ?
N4 C3 N3 C7 165.2(3) . . . . ?
N2 C3 N3 C4 156.9(3) . . . . ?
N4 C3 N3 C4 -27.6(5) . . . . ?
C5 C4 N3 C3 13.9(5) . . . . ?
C5 C4 N3 C7 -178.3(3) . . . . ?
N2 C3 N4 C6 167.4(3) . . . . ?
N3 C3 N4 C6 -7.9(4) . . . . ?
N2 C3 N4 C8 -55.8(5) . . . . ?
N3 C3 N4 C8 128.9(3) . . . . ?
C5 C6 N4 C3 53.3(4) . . . . ?
C5 C6 N4 C8 -85.4(4) . . . . ?
N6 C12 N5 C11 159.3(3) . . . . ?
N7 C12 N5 C11 -15.5(5) . . . . ?
N6 C12 N5 Cu1 -40.7(5) . . . . ?
N7 C12 N5 Cu1 144.6(3) . . . . ?
C10 C11 N5 C12 -154.6(3) . . . . ?
C10 C11 N5 Cu1 41.6(3) . . . . ?
N8 Cu1 N5 C12 100.7(3) . . . . ?
N2 Cu1 N5 C12 -97.6(3) . . . . ?
N1 Cu1 N5 C12 -178.4(3) . . . . ?
N8 Cu1 N5 C11 -97.5(2) . . . . ?
N2 Cu1 N5 C11 64.2(2) . . . . ?
N1 Cu1 N5 C11 -16.5(2) . . . . ?
N5 C12 N6 C16 -14.6(5) . . . . ?
N7 C12 N6 C16 160.7(3) . . . . ?
N5 C12 N6 C13 148.9(3) . . . . ?
N7 C12 N6 C13 -35.8(5) . . . . ?
C14 C13 N6 C12 21.9(5) . . . . ?
C14 C13 N6 C16 -173.6(3) . . . . ?
N5 C12 N7 C17 -49.0(5) . . . . ?
N6 C12 N7 C17 136.0(3) . . . . ?
N5 C12 N7 C15 170.7(3) . . . . ?
N6 C12 N7 C15 -4.3(4) . . . . ?
C14 C15 N7 C12 53.9(4) . . . . ?
C14 C15 N7 C17 -88.1(4) . . . . ?
N9 C22 N8 C21 159.9(3) . . . . ?
N10 C22 N8 C21 -14.6(5) . . . . ?
N9 C22 N8 Cu1 -37.3(5) . . . . ?
N10 C22 N8 Cu1 148.2(3) . . . . ?
C20 C21 N8 C22 -149.7(3) . . . . ?
C20 C21 N8 Cu1 43.5(3) . . . . ?
N5 Cu1 N8 C22 -101.6(3) . . . . ?
N2 Cu1 N8 C22 96.0(3) . . . . ?
N1 Cu1 N8 C22 177.6(3) . . . . ?
N5 Cu1 N8 C21 62.7(2) . . . . ?
N2 Cu1 N8 C21 -99.6(2) . . . . ?
N1 Cu1 N8 C21 -18.1(2) . . . . ?
N8 C22 N9 C26 -7.6(5) . . . . ?
N10 C22 N9 C26 167.4(3) . . . . ?
N8 C22 N9 C23 154.1(3) . . . . ?
N10 C22 N9 C23 -30.9(5) . . . . ?
C24 C23 N9 C22 20.3(5) . . . . ?
C24 C23 N9 C26 -177.0(3) . . . . ?
N8 C22 N10 C27 -55.8(5) . . . . ?
N9 C22 N10 C27 129.4(4) . . . . ?
N8 C22 N10 C25 166.2(3) . . . . ?
N9 C22 N10 C25 -8.6(4) . . . . ?
C24 C25 N10 C22 54.7(4) . . . . ?
C24 C25 N10 C27 -84.9(4) . . . . ?
