#------------------------------------------------------------------------------
#$Date: 2017-04-13 05:21:26 +0300 (Thu, 13 Apr 2017) $
#$Revision: 195407 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/27/7042705.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_7042705
loop_
_publ_author_name
'Cetin, Muhammet Mustafa'
'Hodson, Roman T.'
'Hart, C. Robin'
'Cordes, David Bradford'
'Findlater, Michael'
'Casadonte, Dominick J.'
'Cozzolino, Anthony Frank'
'Mayer, Michael Frederick'
_publ_section_title
;
 Synthesis, structural characterization, photophysical properties, DFT and
 TDDFT calculations, and photoredox catalysis studies of
 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT00400A
_journal_year                    2017
_chemical_formula_moiety         'C56 H48 Cu N4 O4, F6 P, C2 H3 N'
_chemical_formula_sum            'C58 H51 Cu F6 N5 O4 P'
_chemical_formula_weight         1090.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-02-12 deposited with the CCDC.
2017-04-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.458(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3697(16)
_cell_length_b                   32.873(6)
_cell_length_c                   18.214(3)
_cell_measurement_reflns_used    2155
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.53
_cell_measurement_theta_min      2.48
_cell_volume                     5002.2(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Bruker SHELXM'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX-II CCD'
_diffrn_measurement_method       '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  0.1226
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30457
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.546
_exptl_absorpt_correction_T_max  0.9892
_exptl_absorpt_correction_T_min  0.9081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0383P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                3533
_reflns_number_total             5955
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt00400a2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7042705
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Cu1 Cu 0.0000 0.398436(15) 0.2500 0.01905(14) Uani 1 2 d S
P1 P 0.0000 0.65064(3) 0.2500 0.0319(3) Uani 1 2 d S
F1 F -0.1011(3) 0.68484(6) 0.20619(12) 0.0582(6) Uani 1 1 d .
F2 F -0.1017(3) 0.61659(6) 0.20647(10) 0.0555(6) Uani 1 1 d .
F3 F 0.1255(2) 0.65059(5) 0.18700(10) 0.0450(5) Uani 1 1 d .
O1 O -0.4338(2) 0.53415(6) 0.39885(10) 0.0246(5) Uani 1 1 d .
O2 O 0.3997(3) 0.27330(6) 0.46564(11) 0.0343(6) Uani 1 1 d .
N1 N -0.0694(3) 0.43222(7) 0.15909(12) 0.0180(5) Uani 1 1 d .
N2 N 0.1202(3) 0.36541(7) 0.17542(12) 0.0191(5) Uani 1 1 d .
N31 N 0.0925(9) 0.1982(3) 0.1106(4) 0.085(3) Uani 0.50 1 d P
C1 C -0.1539(3) 0.46696(8) 0.15274(15) 0.0179(6) Uani 1 1 d .
C2 C -0.1854(3) 0.48566(9) 0.08377(15) 0.0223(7) Uani 1 1 d .
H2A H -0.2444 0.5104 0.0805 0.027 Uiso 1 1 calc R
C3 C -0.1319(3) 0.46854(9) 0.02190(15) 0.0238(7) Uani 1 1 d .
H3A H -0.1567 0.4807 -0.0247 0.029 Uiso 1 1 calc R
C4 C -0.0400(3) 0.43286(9) 0.02685(15) 0.0221(7) Uani 1 1 d .
C5 C 0.0192(4) 0.41316(10) -0.03585(16) 0.0286(8) Uani 1 1 d .
H5A H -0.0035 0.4244 -0.0834 0.034 Uiso 1 1 calc R
C6 C 0.1067(4) 0.37887(10) -0.02837(16) 0.0280(8) Uani 1 1 d .
H6A H 0.1442 0.3661 -0.0708 0.034 Uiso 1 1 calc R
C7 C 0.1439(3) 0.36144(9) 0.04232(16) 0.0240(7) Uani 1 1 d .
C8 C 0.2387(4) 0.32634(9) 0.05331(17) 0.0285(8) Uani 1 1 d .
H8A H 0.2808 0.3130 0.0125 0.034 Uiso 1 1 calc R
C9 C 0.2697(4) 0.31176(9) 0.12186(17) 0.0280(7) Uani 1 1 d .
H9A H 0.3327 0.2879 0.1289 0.034 Uiso 1 1 calc R
C10 C 0.2093(3) 0.33158(9) 0.18380(15) 0.0216(7) Uani 1 1 d .
C11 C 0.0870(3) 0.37989(8) 0.10558(15) 0.0207(7) Uani 1 1 d .
C12 C -0.0106(3) 0.41589(9) 0.09717(14) 0.0186(6) Uani 1 1 d .
C13 C -0.2187(3) 0.48490(8) 0.21896(14) 0.0165(6) Uani 1 1 d .
C14 C -0.2235(3) 0.52687(9) 0.22761(15) 0.0202(6) Uani 1 1 d .
H14A H -0.1792 0.5439 0.1919 0.024 Uiso 1 1 calc R
C15 C -0.2917(3) 0.54429(9) 0.28731(15) 0.0226(7) Uani 1 1 d .
H15A H -0.2929 0.5730 0.2927 0.027 Uiso 1 1 calc R
C16 C -0.3584(3) 0.51972(9) 0.33946(15) 0.0202(6) Uani 1 1 d .
C17 C -0.3484(3) 0.47710(9) 0.33416(14) 0.0190(6) Uani 1 1 d .
C18 C -0.2814(3) 0.46079(8) 0.27358(14) 0.0184(6) Uani 1 1 d .
H18A H -0.2776 0.4320 0.2687 0.022 Uiso 1 1 calc R
C19 C -0.4605(4) 0.57702(9) 0.40195(17) 0.0340(8) Uani 1 1 d .
H19A H -0.5227 0.5834 0.4444 0.051 Uiso 1 1 calc R
H19B H -0.5198 0.5859 0.3567 0.051 Uiso 1 1 calc R
H19C H -0.3574 0.5912 0.4069 0.051 Uiso 1 1 calc R
C20 C -0.4115(3) 0.45008(9) 0.39293(15) 0.0254(7) Uani 1 1 d .
H20A H -0.4107 0.4217 0.3764 0.038 Uiso 1 1 calc R
H20B H -0.5213 0.4581 0.4021 0.038 Uiso 1 1 calc R
H20C H -0.3436 0.4529 0.4384 0.038 Uiso 1 1 calc R
C21 C 0.2503(3) 0.31575(9) 0.25772(16) 0.0239(7) Uani 1 1 d .
C22 C 0.2760(4) 0.27432(9) 0.26888(17) 0.0277(7) Uani 1 1 d .
H22A H 0.2613 0.2562 0.2284 0.033 Uiso 1 1 calc R
C23 C 0.3223(4) 0.25903(9) 0.33728(18) 0.0300(8) Uani 1 1 d .
H23A H 0.3385 0.2306 0.3437 0.036 Uiso 1 1 calc R
C24 C 0.3451(4) 0.28500(9) 0.39635(17) 0.0273(7) Uani 1 1 d .
C25 C 0.3190(3) 0.32716(9) 0.38851(16) 0.0230(7) Uani 1 1 d .
C26 C 0.2734(3) 0.34139(9) 0.31906(16) 0.0229(7) Uani 1 1 d .
H26A H 0.2569 0.3698 0.3125 0.027 Uiso 1 1 calc R
C27 C 0.4486(4) 0.23169(10) 0.47481(19) 0.0459(10) Uani 1 1 d .
H27A H 0.4838 0.2269 0.5264 0.069 Uiso 1 1 calc R
H27B H 0.5371 0.2260 0.4434 0.069 Uiso 1 1 calc R
H27C H 0.3583 0.2137 0.4609 0.069 Uiso 1 1 calc R
C28 C 0.3435(4) 0.35510(9) 0.45280(16) 0.0283(7) Uani 1 1 d .
H28A H 0.3382 0.3834 0.4357 0.042 Uiso 1 1 calc R
H28B H 0.4486 0.3499 0.4777 0.042 Uiso 1 1 calc R
H28C H 0.2598 0.3504 0.4872 0.042 Uiso 1 1 calc R
C31 C 0.0562(9) 0.1890(3) 0.1673(5) 0.052(2) Uani 0.50 1 d P
C32 C 0.0000 0.17843(18) 0.2500 0.0705(19) Uani 1 2 d S
H32A H 0.0730 0.1583 0.2732 0.106 Uiso 0.50 1 calc PR
H32B H -0.1090 0.1674 0.2464 0.106 Uiso 0.50 1 calc PR
H32C H 0.0024 0.2033 0.2798 0.106 Uiso 0.50 1 calc PR
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
N1 Cu1 N1 114.35(12) . 2
N1 Cu1 N2 83.00(9) . .
N1 Cu1 N2 134.13(9) 2 .
N1 Cu1 N2 134.13(9) . 2
N1 Cu1 N2 83.00(9) 2 2
N2 Cu1 N2 116.02(13) . 2
F2 P1 F2 90.43(17) 2 .
F2 P1 F1 89.69(12) 2 2
F2 P1 F1 179.71(13) . 2
F2 P1 F1 179.71(13) 2 .
F2 P1 F1 89.69(12) . .
F1 P1 F1 90.18(18) 2 .
F2 P1 F3 90.12(10) 2 .
F2 P1 F3 89.81(10) . .
F1 P1 F3 90.45(10) 2 .
F1 P1 F3 89.62(10) . .
F2 P1 F3 89.80(10) 2 2
F2 P1 F3 90.11(10) . 2
F1 P1 F3 89.63(10) 2 2
F1 P1 F3 90.46(10) . 2
F3 P1 F3 179.89(15) . 2
C16 O1 C19 117.0(2) . .
C24 O2 C27 116.8(3) . .
C1 N1 C12 118.4(2) . .
C1 N1 Cu1 130.69(18) . .
C12 N1 Cu1 110.81(18) . .
C10 N2 C11 118.3(2) . .
C10 N2 Cu1 130.92(19) . .
C11 N2 Cu1 110.53(18) . .
N1 C1 C2 121.1(3) . .
N1 C1 C13 119.1(2) . .
C2 C1 C13 119.8(2) . .
C3 C2 C1 120.3(3) . .
C3 C2 H2A 119.8 . .
C1 C2 H2A 119.8 . .
C2 C3 C4 120.0(3) . .
C2 C3 H3A 120.0 . .
C4 C3 H3A 120.0 . .
C3 C4 C12 117.1(3) . .
C3 C4 C5 122.9(3) . .
C12 C4 C5 119.9(3) . .
C6 C5 C4 120.8(3) . .
C6 C5 H5A 119.6 . .
C4 C5 H5A 119.6 . .
C5 C6 C7 121.0(3) . .
C5 C6 H6A 119.5 . .
C7 C6 H6A 119.5 . .
C8 C7 C11 116.9(3) . .
C8 C7 C6 123.2(3) . .
C11 C7 C6 119.9(3) . .
C9 C8 C7 119.9(3) . .
C9 C8 H8A 120.1 . .
C7 C8 H8A 120.1 . .
C8 C9 C10 121.0(3) . .
C8 C9 H9A 119.5 . .
C10 C9 H9A 119.5 . .
N2 C10 C9 120.7(3) . .
N2 C10 C21 119.8(3) . .
C9 C10 C21 119.5(3) . .
N2 C11 C7 123.3(3) . .
N2 C11 C12 117.8(2) . .
C7 C11 C12 118.9(3) . .
N1 C12 C4 123.0(3) . .
N1 C12 C11 117.7(2) . .
C4 C12 C11 119.3(3) . .
C14 C13 C18 117.9(3) . .
C14 C13 C1 120.3(2) . .
C18 C13 C1 121.8(2) . .
C15 C14 C13 121.1(3) . .
C15 C14 H14A 119.4 . .
C13 C14 H14A 119.4 . .
C14 C15 C16 119.9(3) . .
C14 C15 H15A 120.0 . .
C16 C15 H15A 120.0 . .
O1 C16 C15 124.2(3) . .
O1 C16 C17 115.6(2) . .
C15 C16 C17 120.2(3) . .
C18 C17 C16 118.2(2) . .
C18 C17 C20 121.0(3) . .
C16 C17 C20 120.8(2) . .
C17 C18 C13 122.5(3) . .
C17 C18 H18A 118.7 . .
C13 C18 H18A 118.7 . .
O1 C19 H19A 109.5 . .
O1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C26 117.3(3) . .
C22 C21 C10 120.5(3) . .
C26 C21 C10 122.1(3) . .
C23 C22 C21 121.4(3) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C22 C23 C24 119.9(3) . .
C22 C23 H23A 120.0 . .
C24 C23 H23A 120.0 . .
O2 C24 C23 124.6(3) . .
O2 C24 C25 114.2(3) . .
C23 C24 C25 121.1(3) . .
C26 C25 C24 117.3(3) . .
C26 C25 C28 121.8(3) . .
C24 C25 C28 120.8(3) . .
C25 C26 C21 122.9(3) . .
C25 C26 H26A 118.6 . .
C21 C26 H26A 118.6 . .
O2 C27 H27A 109.5 . .
O2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N31 C31 C32 176.6(9) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.049(2) .
Cu1 N1 2.049(2) 2
Cu1 N2 2.050(2) .
Cu1 N2 2.050(2) 2
P1 F2 1.589(2) 2
P1 F2 1.589(2) .
P1 F1 1.592(2) 2
P1 F1 1.592(2) .
P1 F3 1.6018(18) .
P1 F3 1.6018(18) 2
O1 C16 1.370(3) .
O1 C19 1.429(3) .
O2 C24 1.371(3) .
O2 C27 1.435(3) .
N1 C1 1.345(3) .
N1 C12 1.367(3) .
N2 C10 1.343(3) .
N2 C11 1.371(3) .
N31 C31 1.134(10) .
C1 C2 1.409(4) .
C1 C13 1.475(4) .
C2 C3 1.360(4) .
C2 H2A 0.9500 .
C3 C4 1.402(4) .
C3 H3A 0.9500 .
C4 C12 1.405(4) .
C4 C5 1.427(4) .
C5 C6 1.346(4) .
C5 H5A 0.9500 .
C6 C7 1.427(4) .
C6 H6A 0.9500 .
C7 C8 1.408(4) .
C7 C11 1.410(4) .
C8 C9 1.348(4) .
C8 H8A 0.9500 .
C9 C10 1.422(4) .
C9 H9A 0.9500 .
C10 C21 1.465(4) .
C11 C12 1.441(4) .
C13 C14 1.389(4) .
C13 C18 1.399(4) .
C14 C15 1.382(4) .
C14 H14A 0.9500 .
C15 C16 1.389(4) .
C15 H15A 0.9500 .
C16 C17 1.407(4) .
C17 C18 1.376(4) .
C17 C20 1.511(4) .
C18 H18A 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.392(4) .
C21 C26 1.404(4) .
C22 C23 1.377(4) .
C22 H22A 0.9500 .
C23 C24 1.378(4) .
C23 H23A 0.9500 .
C24 C25 1.409(4) .
C25 C26 1.381(4) .
C25 C28 1.493(4) .
C26 H26A 0.9500 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C31 C32 1.643(9) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
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
N1 Cu1 N1 C1 -38.9(2) 2
N2 Cu1 N1 C1 -174.5(2) .
N2 Cu1 N1 C1 65.7(3) 2
N1 Cu1 N1 C12 138.2(2) 2
N2 Cu1 N1 C12 2.57(18) .
N2 Cu1 N1 C12 -117.20(19) 2
N1 Cu1 N2 C10 -177.4(2) .
N1 Cu1 N2 C10 65.2(3) 2
N2 Cu1 N2 C10 -41.3(2) 2
N1 Cu1 N2 C11 -3.94(18) .
N1 Cu1 N2 C11 -121.30(18) 2
N2 Cu1 N2 C11 132.17(19) 2
C12 N1 C1 C2 1.7(4) .
Cu1 N1 C1 C2 178.62(19) .
C12 N1 C1 C13 179.8(2) .
Cu1 N1 C1 C13 -3.4(4) .
N1 C1 C2 C3 0.7(4) .
C13 C1 C2 C3 -177.3(2) .
C1 C2 C3 C4 -2.2(4) .
C2 C3 C4 C12 1.4(4) .
C2 C3 C4 C5 179.6(3) .
C3 C4 C5 C6 -179.9(3) .
C12 C4 C5 C6 -1.7(4) .
C4 C5 C6 C7 -0.5(4) .
C5 C6 C7 C8 -178.1(3) .
C5 C6 C7 C11 0.8(4) .
C11 C7 C8 C9 0.6(4) .
C6 C7 C8 C9 179.6(3) .
C7 C8 C9 C10 -0.7(4) .
C11 N2 C10 C9 1.0(4) .
Cu1 N2 C10 C9 174.1(2) .
C11 N2 C10 C21 178.6(2) .
Cu1 N2 C10 C21 -8.3(4) .
C8 C9 C10 N2 -0.1(4) .
C8 C9 C10 C21 -177.7(3) .
C10 N2 C11 C7 -1.1(4) .
Cu1 N2 C11 C7 -175.5(2) .
C10 N2 C11 C12 179.1(2) .
Cu1 N2 C11 C12 4.7(3) .
C8 C7 C11 N2 0.3(4) .
C6 C7 C11 N2 -178.7(3) .
C8 C7 C11 C12 -180.0(3) .
C6 C7 C11 C12 1.0(4) .
C1 N1 C12 C4 -2.7(4) .
Cu1 N1 C12 C4 179.9(2) .
C1 N1 C12 C11 176.7(2) .
Cu1 N1 C12 C11 -0.8(3) .
C3 C4 C12 N1 1.1(4) .
C5 C4 C12 N1 -177.2(3) .
C3 C4 C12 C11 -178.2(2) .
C5 C4 C12 C11 3.5(4) .
N2 C11 C12 N1 -2.7(4) .
C7 C11 C12 N1 177.5(2) .
N2 C11 C12 C4 176.6(2) .
C7 C11 C12 C4 -3.2(4) .
N1 C1 C13 C14 143.5(3) .
C2 C1 C13 C14 -38.4(4) .
N1 C1 C13 C18 -38.5(4) .
C2 C1 C13 C18 139.6(3) .
C18 C13 C14 C15 -1.6(4) .
C1 C13 C14 C15 176.5(2) .
C13 C14 C15 C16 -0.7(4) .
C19 O1 C16 C15 7.4(4) .
C19 O1 C16 C17 -173.8(2) .
C14 C15 C16 O1 -177.4(2) .
C14 C15 C16 C17 3.8(4) .
O1 C16 C17 C18 176.6(2) .
C15 C16 C17 C18 -4.5(4) .
O1 C16 C17 C20 -2.5(4) .
C15 C16 C17 C20 176.3(2) .
C16 C17 C18 C13 2.2(4) .
C20 C17 C18 C13 -178.6(2) .
C14 C13 C18 C17 0.8(4) .
C1 C13 C18 C17 -177.2(2) .
N2 C10 C21 C22 151.1(3) .
C9 C10 C21 C22 -31.2(4) .
N2 C10 C21 C26 -32.2(4) .
C9 C10 C21 C26 145.4(3) .
C26 C21 C22 C23 0.0(4) .
C10 C21 C22 C23 176.8(3) .
C21 C22 C23 C24 -0.4(5) .
C27 O2 C24 C23 5.5(4) .
C27 O2 C24 C25 -172.0(3) .
C22 C23 C24 O2 -176.1(3) .
C22 C23 C24 C25 1.2(5) .
O2 C24 C25 C26 176.1(2) .
C23 C24 C25 C26 -1.5(4) .
O2 C24 C25 C28 -2.6(4) .
C23 C24 C25 C28 179.8(3) .
C24 C25 C26 C21 1.0(4) .
C28 C25 C26 C21 179.7(3) .
C22 C21 C26 C25 -0.3(4) .
C10 C21 C26 C25 -177.0(3) .
