#------------------------------------------------------------------------------
#$Date: 2016-03-21 02:38:54 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178400 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/22/4022217.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_4022217
loop_
_publ_author_name
'Kevin M. Gillespie'
'Christopher J. Sanders'
'Paul O'Shaughnessy'
'Ian Westmoreland'
'Christopher P. Thickitt'
'Peter Scott'
_publ_section_title
;
 Enantioselective Aziridination Using Copper Complexes
 of Biaryl Schiff Bases
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3450
_journal_page_last               3458
_journal_paper_doi               10.1021/jo025515i
_journal_volume                  67
_journal_year                    2002
_chemical_formula_sum            'C39 H42 B Cl2 Cu F4 N4'
_chemical_formula_weight         788.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.700(2)
_cell_angle_beta                 96.215(2)
_cell_angle_gamma                101.893(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0255(9)
_cell_length_b                   14.6531(15)
_cell_length_c                   15.6437(16)
_cell_measurement_reflns_used    5062
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.77
_cell_volume                     1973.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0893
_diffrn_reflns_av_sigmaI/netI    0.2385
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7877
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.549
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         5062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.2221
_refine_ls_R_factor_gt           0.0915
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0490P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1388
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                2139
_reflns_number_total             5062
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo025515i_s2_2.cif
_cod_data_source_block           colm_[CuL2(CH3CN)2][BF4]
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4022217
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.44046(14) 0.29918(8) 0.17493(9) 0.0499(5) Uani 1 1 d .
N1 N 0.4339(8) 0.1562(5) 0.1638(6) 0.037(2) Uani 1 1 d .
N2 N 0.5614(9) 0.3376(5) 0.3005(6) 0.046(2) Uani 1 1 d .
N3 N 0.2433(9) 0.3347(6) 0.1576(6) 0.054(3) Uani 1 1 d .
N4 N 0.5581(10) 0.3563(6) 0.0881(6) 0.055(3) Uani 1 1 d .
C1 C 0.6785(12) 0.1334(6) 0.0114(7) 0.044(3) Uani 1 1 d .
C2 C 0.7175(12) 0.1532(7) -0.0672(9) 0.058(3) Uani 1 1 d .
H32A H 0.8212 0.1591 -0.0761 0.070 Uiso 1 1 calc R
C3 C 0.6134(15) 0.1650(6) -0.1343(8) 0.054(3) Uani 1 1 d .
C4 C 0.4618(14) 0.1599(7) -0.1190(8) 0.058(3) Uani 1 1 d .
H29A H 0.3891 0.1708 -0.1626 0.069 Uiso 1 1 calc R
C5 C 0.4166(12) 0.1392(6) -0.0410(8) 0.045(3) Uani 1 1 d .
C6 C 0.5246(12) 0.1269(6) 0.0252(7) 0.041(3) Uani 1 1 d .
C10 C 0.4811(11) 0.1021(6) 0.1081(7) 0.044(3) Uani 1 1 d .
H25A H 0.4896 0.0416 0.1197 0.053 Uiso 1 1 calc R
C7 C 0.7960(10) 0.1255(7) 0.0835(6) 0.059(3) Uani 1 1 d .
H34A H 0.7954 0.1720 0.1363 0.088 Uiso 1 1 calc R
H34B H 0.8975 0.1380 0.0651 0.088 Uiso 1 1 calc R
H34C H 0.7720 0.0612 0.0961 0.088 Uiso 1 1 calc R
C8 C 0.6584(12) 0.1838(7) -0.2218(7) 0.073(4) Uani 1 1 d .
H31A H 0.7675 0.2146 -0.2137 0.110 Uiso 1 1 calc R
H31B H 0.5980 0.2254 -0.2441 0.110 Uiso 1 1 calc R
H31C H 0.6387 0.1234 -0.2638 0.110 Uiso 1 1 calc R
C9 C 0.2497(10) 0.1352(6) -0.0270(6) 0.058(3) Uani 1 1 d .
H28A H 0.1853 0.1256 -0.0838 0.086 Uiso 1 1 calc R
H28B H 0.2432 0.1951 0.0096 0.086 Uiso 1 1 calc R
H28C H 0.2140 0.0824 0.0023 0.086 Uiso 1 1 calc R
C11 C 0.3910(13) 0.1199(7) 0.2412(9) 0.051(3) Uani 1 1 d .
C12 C 0.2447(11) 0.0674(6) 0.2410(7) 0.046(3) Uani 1 1 d .
H5A H 0.1727 0.0516 0.1888 0.056 Uiso 1 1 calc R
C13 C 0.2020(12) 0.0376(7) 0.3155(9) 0.055(3) Uani 1 1 d .
H4A H 0.1025 0.0000 0.3146 0.066 Uiso 1 1 calc R
C14 C 0.3067(13) 0.0637(7) 0.3913(8) 0.050(3) Uani 1 1 d .
H3A H 0.2765 0.0449 0.4432 0.060 Uiso 1 1 calc R
C15 C 0.4541(12) 0.1162(7) 0.3947(8) 0.044(3) Uani 1 1 d .
C16 C 0.4990(12) 0.1440(7) 0.3172(8) 0.043(3) Uani 1 1 d .
C17 C 0.5601(11) 0.1432(7) 0.4799(7) 0.065(3) Uani 1 1 d .
H1A H 0.5863 0.2125 0.4988 0.098 Uiso 1 1 calc R
H1B H 0.6536 0.1205 0.4724 0.098 Uiso 1 1 calc R
H1C H 0.5097 0.1141 0.5244 0.098 Uiso 1 1 calc R
C18 C 0.6580(11) 0.1966(7) 0.3150(6) 0.037(3) Uani 1 1 d .
C19 C 0.7786(12) 0.1509(7) 0.3191(6) 0.050(3) Uani 1 1 d .
C20 C 0.9257(11) 0.2018(8) 0.3184(6) 0.053(3) Uani 1 1 d .
H11A H 1.0086 0.1712 0.3217 0.064 Uiso 1 1 calc R
C21 C 0.9532(11) 0.2981(8) 0.3127(6) 0.054(3) Uani 1 1 d .
H12A H 1.0543 0.3326 0.3120 0.065 Uiso 1 1 calc R
C22 C 0.8329(12) 0.3426(7) 0.3083(6) 0.044(3) Uani 1 1 d .
H13A H 0.8510 0.4077 0.3038 0.053 Uiso 1 1 calc R
C23 C 0.6869(12) 0.2930(7) 0.3105(6) 0.039(3) Uani 1 1 d .
C24 C 0.7522(10) 0.0440(6) 0.3194(7) 0.062(3) Uani 1 1 d .
H10A H 0.6511 0.0113 0.2866 0.094 Uiso 1 1 calc R
H10B H 0.7572 0.0342 0.3800 0.094 Uiso 1 1 calc R
H10C H 0.8313 0.0185 0.2918 0.094 Uiso 1 1 calc R
C25 C 0.5346(11) 0.3860(6) 0.3698(8) 0.049(3) Uani 1 1 d .
H15A H 0.5929 0.3839 0.4235 0.059 Uiso 1 1 calc R
C26 C 0.4201(11) 0.4459(7) 0.3746(7) 0.043(3) Uani 1 1 d .
C27 C 0.3116(12) 0.4307(7) 0.4308(7) 0.044(3) Uani 1 1 d .
C28 C 0.2097(11) 0.4899(8) 0.4393(7) 0.058(3) Uani 1 1 d .
H19A H 0.1343 0.4793 0.4767 0.069 Uiso 1 1 calc R
C29 C 0.2159(12) 0.5643(7) 0.3941(8) 0.055(3) Uani 1 1 d .
C30 C 0.3230(13) 0.5780(7) 0.3386(7) 0.058(3) Uani 1 1 d .
H22A H 0.3245 0.6280 0.3069 0.070 Uiso 1 1 calc R
C31 C 0.4296(12) 0.5220(7) 0.3265(7) 0.057(3) Uani 1 1 d .
C32 C 0.3017(11) 0.3478(7) 0.4798(7) 0.068(3) Uani 1 1 d .
H18A H 0.2858 0.2879 0.4375 0.102 Uiso 1 1 calc R
H18B H 0.2158 0.3454 0.5134 0.102 Uiso 1 1 calc R
H18C H 0.3972 0.3571 0.5199 0.102 Uiso 1 1 calc R
C33 C 0.1011(11) 0.6272(7) 0.4059(7) 0.081(4) Uani 1 1 d .
H21A H 0.0941 0.6447 0.4684 0.121 Uiso 1 1 calc R
H21B H 0.0003 0.5924 0.3741 0.121 Uiso 1 1 calc R
H21C H 0.1352 0.6849 0.3827 0.121 Uiso 1 1 calc R
C34 C 0.5527(12) 0.5444(7) 0.2695(7) 0.077(4) Uani 1 1 d .
H24A H 0.5566 0.6077 0.2561 0.115 Uiso 1 1 calc R
H24B H 0.5289 0.4969 0.2147 0.115 Uiso 1 1 calc R
H24C H 0.6521 0.5430 0.3007 0.115 Uiso 1 1 calc R
C35 C 0.1392(13) 0.3624(7) 0.1375(7) 0.052(3) Uani 1 1 d .
C36 C 0.0016(10) 0.3998(7) 0.1139(7) 0.076(4) Uani 1 1 d .
H36A H 0.0213 0.4674 0.1407 0.114 Uiso 1 1 calc R
H36B H -0.0865 0.3646 0.1355 0.114 Uiso 1 1 calc R
H36C H -0.0203 0.3919 0.0500 0.114 Uiso 1 1 calc R
C37 C 0.5991(12) 0.3836(7) 0.0303(8) 0.046(3) Uani 1 1 d .
C38 C 0.6423(11) 0.4206(7) -0.0469(7) 0.074(4) Uani 1 1 d .
H38A H 0.5517 0.4078 -0.0915 0.111 Uiso 1 1 calc R
H38B H 0.7193 0.3893 -0.0706 0.111 Uiso 1 1 calc R
H38C H 0.6848 0.4893 -0.0303 0.111 Uiso 1 1 calc R
C001 C -0.1100(11) 0.8006(8) 0.3562(7) 0.068(4) Uani 1 1 d .
Cl1 Cl 0.0022(3) 0.8681(2) 0.4527(2) 0.0942(12) Uani 1 1 d .
Cl2 Cl -0.3019(3) 0.8089(2) 0.3584(2) 0.0899(11) Uani 1 1 d .
B1 B 0.897(2) 0.6562(14) 0.1410(14) 0.091(6) Uani 1 1 d .
F1 F 0.7587(11) 0.6255(6) 0.0939(7) 0.178(5) Uani 1 1 d .
F2 F 0.9983(11) 0.6258(6) 0.0945(6) 0.172(4) Uani 1 1 d .
F3 F 0.8963(10) 0.6093(6) 0.2114(6) 0.131(3) Uani 1 1 d .
F4 F 0.9300(8) 0.7495(5) 0.1654(5) 0.112(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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
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_publ_flag
N3 Cu1 N4 104.3(4) y
N3 Cu1 N1 116.7(3) y
N4 Cu1 N1 112.1(3) y
N3 Cu1 N2 116.8(3) y
N4 Cu1 N2 112.2(3) y
N1 Cu1 N2 94.9(3) y
C10 N1 C11 116.9(8) ?
C10 N1 Cu1 129.5(7) ?
C11 N1 Cu1 112.8(6) ?
C25 N2 C23 116.1(9) ?
C25 N2 Cu1 131.0(7) ?
C23 N2 Cu1 112.6(6) ?
C35 N3 Cu1 168.8(10) ?
C37 N4 Cu1 167.5(10) ?
C2 C1 C6 118.1(10) ?
C2 C1 C7 121.7(10) ?
C6 C1 C7 120.1(10) ?
C1 C2 C3 123.5(11) ?
C2 C3 C4 117.7(11) ?
C2 C3 C8 122.5(12) ?
C4 C3 C8 119.8(11) ?
C5 C4 C3 120.8(11) ?
C4 C5 C6 120.0(10) ?
C4 C5 C9 118.9(10) ?
C6 C5 C9 121.0(11) ?
C5 C6 C1 119.8(10) ?
C5 C6 C10 121.9(10) ?
C1 C6 C10 118.2(10) ?
N1 C10 C6 123.5(9) ?
C12 C11 C16 120.6(11) ?
C12 C11 N1 121.0(12) ?
C16 C11 N1 118.3(10) ?
C13 C12 C11 120.9(11) ?
C12 C13 C14 118.6(10) ?
C13 C14 C15 122.5(11) ?
C14 C15 C16 118.6(11) ?
C14 C15 C17 119.3(11) ?
C16 C15 C17 122.1(10) ?
C11 C16 C15 118.7(10) ?
C11 C16 C18 119.8(10) ?
C15 C16 C18 121.5(10) ?
C19 C18 C23 119.7(9) ?
C19 C18 C16 120.5(9) ?
C23 C18 C16 119.8(9) ?
C20 C19 C18 119.3(10) ?
C20 C19 C24 118.8(9) ?
C18 C19 C24 121.8(9) ?
C19 C20 C21 120.5(9) ?
C22 C21 C20 119.7(9) ?
C23 C22 C21 120.2(10) ?
C22 C23 C18 120.5(9) ?
C22 C23 N2 120.0(10) ?
C18 C23 N2 119.3(9) ?
N2 C25 C26 125.8(10) ?
C27 C26 C31 121.4(9) ?
C27 C26 C25 118.6(10) ?
C31 C26 C25 119.9(10) ?
C28 C27 C26 118.8(10) ?
C28 C27 C32 120.8(10) ?
C26 C27 C32 120.3(9) ?
C27 C28 C29 121.3(11) ?
C30 C29 C28 119.1(10) ?
C30 C29 C33 121.7(11) ?
C28 C29 C33 119.2(12) ?
C29 C30 C31 123.2(11) ?
C30 C31 C26 116.1(11) ?
C30 C31 C34 121.2(11) ?
C26 C31 C34 122.7(9) ?
N3 C35 C36 178.3(12) ?
N4 C37 C38 176.1(13) ?
Cl1 C001 Cl2 109.2(6) ?
F4 B1 F1 110.5(14) ?
F4 B1 F2 112.3(18) ?
F1 B1 F2 108.8(15) ?
F4 B1 F3 113.2(15) ?
F1 B1 F3 106.5(17) ?
F2 B1 F3 105.2(13) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N3 1.958(9) y
Cu1 N4 2.000(9) y
Cu1 N1 2.061(7) y
Cu1 N2 2.068(8) y
N1 C10 1.247(10) ?
N1 C11 1.460(12) ?
N2 C25 1.268(11) ?
N2 C23 1.426(11) ?
N3 C35 1.133(11) ?
N4 C37 1.117(12) ?
C1 C2 1.376(13) ?
C1 C6 1.415(12) ?
C1 C7 1.499(12) ?
C2 C3 1.388(13) ?
C3 C4 1.404(13) ?
C3 C8 1.521(13) ?
C4 C5 1.389(13) ?
C5 C6 1.404(12) ?
C5 C9 1.536(12) ?
C6 C10 1.476(12) ?
C11 C12 1.384(12) ?
C11 C16 1.398(13) ?
C12 C13 1.376(13) ?
C13 C14 1.380(12) ?
C14 C15 1.383(12) ?
C15 C16 1.415(13) ?
C15 C17 1.496(12) ?
C16 C18 1.490(12) ?
C18 C19 1.391(11) ?
C18 C23 1.399(11) ?
C19 C20 1.385(11) ?
C19 C24 1.535(12) ?
C20 C21 1.401(12) ?
C21 C22 1.378(11) ?
C22 C23 1.374(11) ?
C25 C26 1.488(12) ?
C26 C27 1.394(12) ?
C26 C31 1.441(13) ?
C27 C28 1.390(12) ?
C27 C32 1.535(12) ?
C28 C29 1.390(13) ?
C29 C30 1.375(13) ?
C29 C33 1.529(12) ?
C30 C31 1.395(12) ?
C31 C34 1.517(13) ?
C35 C36 1.493(13) ?
C37 C38 1.463(14) ?
C001 Cl1 1.742(10) ?
C001 Cl2 1.764(9) ?
B1 F4 1.317(17) ?
B1 F1 1.328(17) ?
B1 F2 1.328(17) ?
B1 F3 1.39(2) ?
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
N3 Cu1 N1 C10 114.1(9) y
N4 Cu1 N1 C10 -6.1(10) y
N2 Cu1 N1 C10 -122.5(9) y
N3 Cu1 N1 C11 -77.2(7) y
N4 Cu1 N1 C11 162.5(7) y
N2 Cu1 N1 C11 46.2(7) y
N3 Cu1 N2 C25 -4.5(10) y
N4 Cu1 N2 C25 115.9(9) y
N1 Cu1 N2 C25 -127.8(9) y
N3 Cu1 N2 C23 168.4(6) y
N4 Cu1 N2 C23 -71.3(7) y
N1 Cu1 N2 C23 45.0(7) y
N4 Cu1 N3 C35 0(5) y
N1 Cu1 N3 C35 -125(5) y
N2 Cu1 N3 C35 124(5) y
N3 Cu1 N4 C37 -37(4) y
N1 Cu1 N4 C37 90(4) y
N2 Cu1 N4 C37 -165(4) y
C6 C1 C2 C3 -1.5(15) ?
C7 C1 C2 C3 -177.3(9) ?
C1 C2 C3 C4 2.5(15) ?
C1 C2 C3 C8 -178.0(9) ?
C2 C3 C4 C5 -3.1(14) ?
C8 C3 C4 C5 177.5(9) ?
C3 C4 C5 C6 2.7(14) ?
C3 C4 C5 C9 179.5(8) ?
C4 C5 C6 C1 -1.6(13) ?
C9 C5 C6 C1 -178.3(8) ?
C4 C5 C6 C10 -178.2(9) ?
C9 C5 C6 C10 5.0(13) ?
C2 C1 C6 C5 0.9(13) ?
C7 C1 C6 C5 176.8(8) ?
C2 C1 C6 C10 177.7(9) ?
C7 C1 C6 C10 -6.4(13) ?
C11 N1 C10 C6 178.1(9) ?
Cu1 N1 C10 C6 -13.6(15) ?
C5 C6 C10 N1 -66.3(13) ?
C1 C6 C10 N1 117.0(11) ?
C10 N1 C11 C12 -87.1(11) ?
Cu1 N1 C11 C12 102.6(8) ?
C10 N1 C11 C16 96.3(11) ?
Cu1 N1 C11 C16 -73.9(9) ?
C16 C11 C12 C13 0.0(14) ?
N1 C11 C12 C13 -176.4(8) ?
C11 C12 C13 C14 1.9(14) ?
C12 C13 C14 C15 -1.9(15) ?
C13 C14 C15 C16 -0.2(14) ?
C13 C14 C15 C17 178.9(9) ?
C12 C11 C16 C15 -2.0(14) ?
N1 C11 C16 C15 174.5(8) ?
C12 C11 C16 C18 177.1(8) ?
N1 C11 C16 C18 -6.4(13) ?
C14 C15 C16 C11 2.1(13) ?
C17 C15 C16 C11 -177.0(8) ?
C14 C15 C16 C18 -177.0(8) ?
C17 C15 C16 C18 3.9(14) ?
C11 C16 C18 C19 -108.0(11) ?
C15 C16 C18 C19 71.1(13) ?
C11 C16 C18 C23 73.3(12) ?
C15 C16 C18 C23 -107.6(11) ?
C23 C18 C19 C20 -0.2(15) ?
C16 C18 C19 C20 -178.9(10) ?
C23 C18 C19 C24 -176.9(9) ?
C16 C18 C19 C24 4.4(15) ?
C18 C19 C20 C21 -0.6(16) ?
C24 C19 C20 C21 176.2(9) ?
C19 C20 C21 C22 0.3(16) ?
C20 C21 C22 C23 0.8(15) ?
C21 C22 C23 C18 -1.6(15) ?
C21 C22 C23 N2 -176.2(9) ?
C19 C18 C23 C22 1.3(15) ?
C16 C18 C23 C22 180.0(9) ?
C19 C18 C23 N2 175.9(8) ?
C16 C18 C23 N2 -5.4(14) ?
C25 N2 C23 C22 -85.7(12) ?
Cu1 N2 C23 C22 100.3(9) ?
C25 N2 C23 C18 99.6(11) ?
Cu1 N2 C23 C18 -74.3(10) ?
C23 N2 C25 C26 174.0(9) ?
Cu1 N2 C25 C26 -13.4(16) ?
N2 C25 C26 C27 126.2(11) ?
N2 C25 C26 C31 -58.1(14) ?
C31 C26 C27 C28 0.8(14) ?
C25 C26 C27 C28 176.4(9) ?
C31 C26 C27 C32 178.7(9) ?
C25 C26 C27 C32 -5.7(13) ?
C26 C27 C28 C29 -1.1(14) ?
C32 C27 C28 C29 -178.9(9) ?
C27 C28 C29 C30 1.4(15) ?
C27 C28 C29 C33 -180.0(9) ?
C28 C29 C30 C31 -1.6(16) ?
C33 C29 C30 C31 179.8(9) ?
C29 C30 C31 C26 1.3(15) ?
C29 C30 C31 C34 -175.6(10) ?
C27 C26 C31 C30 -0.9(14) ?
C25 C26 C31 C30 -176.5(9) ?
C27 C26 C31 C34 175.9(9) ?
C25 C26 C31 C34 0.4(14) ?
Cu1 N3 C35 C36 -136(36) ?
Cu1 N4 C37 C38 30(20) ?
