#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:47:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180316 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/30/7153056.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_7153056
loop_
_publ_author_name
'Saha, Manik Lal'
'Bats, Jan W.'
'Schmittel, Michael'
_publ_section_title
;
 Merging strong and weak coordination motifs in the integrative
 self-sorting of a 5-component trapezoid and scalene triangle.
;
_journal_issue                   34
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              5592
_journal_page_last               5595
_journal_paper_doi               10.1039/c3ob41258j
_journal_volume                  11
_journal_year                    2013
_chemical_formula_moiety         'C35 H32 Cu I N3 , F6 P'
_chemical_formula_sum            'C35 H32 Cu F6 I N3 P'
_chemical_formula_weight         830.05
_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                91.4930(10)
_cell_angle_beta                 113.8990(10)
_cell_angle_gamma                111.5580(10)
_cell_formula_units_Z            2
_cell_length_a                   11.8031(6)
_cell_length_b                   12.1213(6)
_cell_length_c                   14.0357(7)
_cell_measurement_reflns_used    6314
_cell_measurement_temperature    171(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      3
_cell_volume                     1670.96(15)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      171(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  SIEMENS_SMART_1K_CCD
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20122
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  1600
_diffrn_standards_number         488
_exptl_absorpt_coefficient_mu    1.689
_exptl_absorpt_correction_T_max  0.602
_exptl_absorpt_correction_T_min  0.531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.561
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.03P)²+1.3P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                6675
_reflns_number_total             8042
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            c3ob41258j.txt
_cod_data_source_block           compound_C3
_cod_original_cell_volume        1670.95(14)
_cod_database_code               7153056
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 0.36708(3) 0.61996(2) 0.24881(2) 0.02290(7) Uani 1 1 d .
I1 I 0.788524(18) 1.040759(16) 0.095103(15) 0.04136(6) Uani 1 1 d .
P1 P 0.0000 1.0000 0.5000 0.02598(17) Uani 1 2 d S
N1 N 0.28684(17) 0.45703(15) 0.27934(14) 0.0192(3) Uani 1 1 d .
C13 C 0.4166(2) 0.38115(19) 0.22529(18) 0.0221(4) Uani 1 1 d .
N3 N 0.48402(19) 0.72768(16) 0.19743(15) 0.0238(4) Uani 1 1 d .
F1 F -0.03777(18) 1.02473(16) 0.59345(14) 0.0492(4) Uani 1 1 d .
F2 F 0.10479(15) 0.95176(14) 0.57854(14) 0.0448(4) Uani 1 1 d .
N2 N 0.25384(17) 0.65687(15) 0.31826(14) 0.0197(4) Uani 1 1 d .
F3 F -0.11656(16) 0.86536(14) 0.46155(13) 0.0465(4) Uani 1 1 d .
F4 F -0.00661(17) 0.41964(17) -0.09528(13) 0.0512(4) Uani 1 1 d .
F5 F -0.16116(15) 0.45924(18) -0.06145(13) 0.0508(4) Uani 1 1 d .
C11 C 0.1714(2) 0.55290(19) 0.33246(16) 0.0191(4) Uani 1 1 d .
C22 C 0.3411(2) 0.87105(18) 0.32563(18) 0.0215(4) Uani 1 1 d .
C33 C 0.6571(2) 0.9035(2) 0.1362(2) 0.0293(5) Uani 1 1 d .
C1 C 0.3120(2) 0.36067(19) 0.26433(17) 0.0216(4) Uani 1 1 d .
C4 C 0.1148(2) 0.33582(19) 0.33168(17) 0.0220(4) Uani 1 1 d .
C26 C 0.3864(2) 1.0333(2) 0.23214(19) 0.0262(5) Uani 1 1 d .
H26A H 0.3543 1.0766 0.1796 0.031 Uiso 1 1 calc R
C28 C 0.5399(2) 0.8450(2) 0.47424(19) 0.0292(5) Uani 1 1 d .
H28A H 0.5339 0.7690 0.4423 0.044 Uiso 1 1 calc R
H28B H 0.4880 0.8276 0.5158 0.044 Uiso 1 1 calc R
H28C H 0.6354 0.8979 0.5210 0.044 Uiso 1 1 calc R
C12 C 0.1906(2) 0.44528(18) 0.31317(16) 0.0190(4) Uani 1 1 d .
C7 C 0.0731(2) 0.5468(2) 0.36648(18) 0.0230(4) Uani 1 1 d .
C24 C 0.5713(2) 1.0061(2) 0.3685(2) 0.0282(5) Uani 1 1 d .
H24A H 0.6664 1.0311 0.4098 0.034 Uiso 1 1 calc R
C8 C 0.0636(2) 0.6571(2) 0.38737(19) 0.0275(5) Uani 1 1 d .
H8A H -0.0016 0.6582 0.4103 0.033 Uiso 1 1 calc R
C23 C 0.4818(2) 0.90737(19) 0.38729(18) 0.0233(4) Uani 1 1 d .
C17 C 0.4747(3) 0.3715(2) 0.0804(2) 0.0308(5) Uani 1 1 d .
H17A H 0.4474 0.3456 0.0071 0.037 Uiso 1 1 calc R
C18 C 0.3752(2) 0.3414(2) 0.11676(19) 0.0262(5) Uani 1 1 d .
C15 C 0.6493(2) 0.4748(2) 0.2549(2) 0.0289(5) Uani 1 1 d .
H15A H 0.7429 0.5204 0.3020 0.035 Uiso 1 1 calc R
C14 C 0.5545(2) 0.4473(2) 0.29528(19) 0.0259(5) Uani 1 1 d .
C27 C 0.2928(2) 0.9351(2) 0.24832(18) 0.0243(5) Uani 1 1 d .
C2 C 0.2426(2) 0.2489(2) 0.28447(19) 0.0271(5) Uani 1 1 d .
H2A H 0.2636 0.1821 0.2752 0.033 Uiso 1 1 calc R
C6 C -0.0071(2) 0.4321(2) 0.38029(19) 0.0277(5) Uani 1 1 d .
H6A H -0.0761 0.4266 0.4009 0.033 Uiso 1 1 calc R
C31 C 0.6192(2) 0.7580(2) 0.24234(19) 0.0293(5) Uani 1 1 d .
H31A H 0.6552 0.7180 0.2965 0.035 Uiso 1 1 calc R
C32 C 0.7081(2) 0.8442(2) 0.2138(2) 0.0308(5) Uani 1 1 d .
H32A H 0.8025 0.8620 0.2471 0.037 Uiso 1 1 calc R
C25 C 0.5261(2) 1.0693(2) 0.2913(2) 0.0296(5) Uani 1 1 d .
F6 F 0.0229(2) 0.61223(18) -0.05698(16) 0.0611(5) Uani 1 1 d .
C10 C 0.2441(2) 0.76014(19) 0.33948(17) 0.0210(4) Uani 1 1 d .
C16 C 0.6117(3) 0.4379(2) 0.1476(2) 0.0303(5) Uani 1 1 d .
C35 C 0.4362(2) 0.7850(2) 0.1205(2) 0.0310(5) Uani 1 1 d .
H35A H 0.3412 0.7648 0.0871 0.037 Uiso 1 1 calc R
C5 C 0.0132(2) 0.3317(2) 0.36473(19) 0.0265(5) Uani 1 1 d .
H5A H -0.0405 0.2575 0.3758 0.032 Uiso 1 1 calc R
C3 C 0.1445(2) 0.2361(2) 0.31750(19) 0.0265(5) Uani 1 1 d .
H3A H 0.0971 0.1605 0.3307 0.032 Uiso 1 1 calc R
C29 C 0.6265(3) 1.1751(3) 0.2721(3) 0.0476(7) Uani 1 1 d .
H29A H 0.6753 1.2425 0.3337 0.071 Uiso 1 1 calc R
H29B H 0.5776 1.2010 0.2084 0.071 Uiso 1 1 calc R
H29C H 0.6918 1.1506 0.2617 0.071 Uiso 1 1 calc R
C30 C 0.1417(3) 0.8979(2) 0.1797(2) 0.0362(6) Uani 1 1 d .
H30A H 0.1287 0.9391 0.1195 0.054 Uiso 1 1 calc R
H30B H 0.1024 0.9206 0.2224 0.054 Uiso 1 1 calc R
H30C H 0.0965 0.8099 0.1530 0.054 Uiso 1 1 calc R
C9 C 0.1480(2) 0.7621(2) 0.37471(19) 0.0270(5) Uani 1 1 d .
H9A H 0.1422 0.8363 0.3895 0.032 Uiso 1 1 calc R
C34 C 0.5185(3) 0.8721(2) 0.0876(2) 0.0361(6) Uani 1 1 d .
H34A H 0.4804 0.9098 0.0322 0.043 Uiso 1 1 calc R
C21 C 0.2270(3) 0.2723(2) 0.0405(2) 0.0359(6) Uani 1 1 d .
H21A H 0.2173 0.2563 -0.0318 0.054 Uiso 1 1 calc R
H21B H 0.1766 0.3203 0.0427 0.054 Uiso 1 1 calc R
H21C H 0.1906 0.1952 0.0611 0.054 Uiso 1 1 calc R
C19 C 0.6014(3) 0.4893(3) 0.4123(2) 0.0379(6) Uani 1 1 d .
H19A H 0.7008 0.5203 0.4500 0.057 Uiso 1 1 calc R
H19B H 0.5606 0.4211 0.4410 0.057 Uiso 1 1 calc R
H19C H 0.5733 0.5538 0.4218 0.057 Uiso 1 1 calc R
P2 P 0.0000 0.5000 0.0000 0.02866(19) Uani 1 2 d S
C20 C 0.7176(3) 0.4675(3) 0.1074(3) 0.0457(7) Uani 1 1 d .
H20A H 0.7560 0.4070 0.1194 0.069 Uiso 1 1 calc R
H20B H 0.7901 0.5480 0.1456 0.069 Uiso 1 1 calc R
H20C H 0.6756 0.4667 0.0311 0.069 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'
I I -0.4742 1.8119 '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'
F F 0.0171 0.0103 '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
N3 Cu1 N1 150.04(7) . .
N3 Cu1 N2 128.66(7) . .
N1 Cu1 N2 81.25(7) . .
F2 P1 F2 179.998(1) . 2_576
F2 P1 F3 90.62(8) . 2_576
F2 P1 F3 89.38(8) 2_576 2_576
F2 P1 F3 89.38(8) . .
F2 P1 F3 90.62(8) 2_576 .
F3 P1 F3 180.0 2_576 .
F2 P1 F1 89.09(9) . .
F2 P1 F1 90.91(9) 2_576 .
F3 P1 F1 89.87(9) 2_576 .
F3 P1 F1 90.13(9) . .
F2 P1 F1 90.91(9) . 2_576
F2 P1 F1 89.09(9) 2_576 2_576
F3 P1 F1 90.13(9) 2_576 2_576
F3 P1 F1 89.87(9) . 2_576
F1 P1 F1 179.998(1) . 2_576
C1 N1 C12 118.98(18) . .
C1 N1 Cu1 127.22(14) . .
C12 N1 Cu1 113.68(13) . .
C14 C13 C18 120.6(2) . .
C14 C13 C1 119.7(2) . .
C18 C13 C1 119.5(2) . .
C35 N3 C31 116.8(2) . .
C35 N3 Cu1 120.77(15) . .
C31 N3 Cu1 122.19(16) . .
C10 N2 C11 119.08(18) . .
C10 N2 Cu1 130.20(14) . .
C11 N2 Cu1 110.41(13) . .
N2 C11 C7 123.50(19) . .
N2 C11 C12 116.77(18) . .
C7 C11 C12 119.72(19) . .
C27 C22 C23 120.4(2) . .
C27 C22 C10 120.35(19) . .
C23 C22 C10 119.15(19) . .
C32 C33 C34 118.8(2) . .
C32 C33 I1 120.26(17) . .
C34 C33 I1 120.98(19) . .
N1 C1 C2 121.13(19) . .
N1 C1 C13 115.29(18) . .
C2 C1 C13 123.58(19) . .
C12 C4 C3 117.30(19) . .
C12 C4 C5 118.8(2) . .
C3 C4 C5 123.9(2) . .
C25 C26 C27 121.4(2) . .
N1 C12 C4 122.90(19) . .
N1 C12 C11 116.82(18) . .
C4 C12 C11 120.27(18) . .
C11 C7 C8 116.4(2) . .
C11 C7 C6 118.68(19) . .
C8 C7 C6 124.9(2) . .
C25 C24 C23 122.1(2) . .
C9 C8 C7 120.1(2) . .
C24 C23 C22 118.5(2) . .
C24 C23 C28 118.6(2) . .
C22 C23 C28 122.9(2) . .
C16 C17 C18 122.3(2) . .
C17 C18 C13 118.3(2) . .
C17 C18 C21 120.6(2) . .
C13 C18 C21 121.0(2) . .
C14 C15 C16 122.2(2) . .
C15 C14 C13 118.7(2) . .
C15 C14 C19 119.8(2) . .
C13 C14 C19 121.5(2) . .
C26 C27 C22 118.9(2) . .
C26 C27 C30 119.2(2) . .
C22 C27 C30 121.9(2) . .
C3 C2 C1 120.2(2) . .
C5 C6 C7 121.6(2) . .
N3 C31 C32 123.5(2) . .
C33 C32 C31 118.7(2) . .
C24 C25 C26 118.6(2) . .
C24 C25 C29 120.6(2) . .
C26 C25 C29 120.9(2) . .
N2 C10 C9 121.0(2) . .
N2 C10 C22 115.98(18) . .
C9 C10 C22 122.98(19) . .
C17 C16 C15 117.8(2) . .
C17 C16 C20 121.5(2) . .
C15 C16 C20 120.6(2) . .
N3 C35 C34 123.1(2) . .
C6 C5 C4 120.9(2) . .
C2 C3 C4 119.4(2) . .
C8 C9 C10 119.8(2) . .
C35 C34 C33 119.1(2) . .
F6 P2 F6 180.0 . 2_565
F6 P2 F4 90.16(10) . 2_565
F6 P2 F4 89.84(10) 2_565 2_565
F6 P2 F4 89.84(10) . .
F6 P2 F4 90.16(10) 2_565 .
F4 P2 F4 180.0 2_565 .
F6 P2 F5 89.96(10) . .
F6 P2 F5 90.04(10) 2_565 .
F4 P2 F5 89.80(8) 2_565 .
F4 P2 F5 90.20(8) . .
F6 P2 F5 90.04(10) . 2_565
F6 P2 F5 89.96(10) 2_565 2_565
F4 P2 F5 90.20(8) 2_565 2_565
F4 P2 F5 89.80(8) . 2_565
F5 P2 F5 180.0 . 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.9135(18) .
Cu1 N1 1.9948(18) .
Cu1 N2 2.0997(17) .
I1 C33 2.094(2) .
P1 F2 1.5960(14) .
P1 F2 1.5960(14) 2_576
P1 F3 1.5969(15) 2_576
P1 F3 1.5969(15) .
P1 F1 1.6001(16) .
P1 F1 1.6002(16) 2_576
N1 C1 1.338(3) .
N1 C12 1.363(3) .
C13 C14 1.401(3) .
C13 C18 1.406(3) .
C13 C1 1.489(3) .
N3 C35 1.343(3) .
N3 C31 1.349(3) .
N2 C10 1.336(3) .
N2 C11 1.358(3) .
F4 P2 1.5922(15) .
F5 P2 1.6013(14) .
C11 C7 1.403(3) .
C11 C12 1.440(3) .
C22 C27 1.404(3) .
C22 C23 1.407(3) .
C22 C10 1.490(3) .
C33 C32 1.376(4) .
C33 C34 1.383(3) .
C1 C2 1.406(3) .
C4 C12 1.401(3) .
C4 C3 1.407(3) .
C4 C5 1.437(3) .
C26 C25 1.394(3) .
C26 C27 1.393(3) .
C28 C23 1.511(3) .
C7 C8 1.415(3) .
C7 C6 1.436(3) .
C24 C25 1.385(4) .
C24 C23 1.390(3) .
C8 C9 1.366(3) .
C17 C16 1.386(4) .
C17 C18 1.397(3) .
C18 C21 1.506(3) .
C15 C14 1.391(3) .
C15 C16 1.393(3) .
C14 C19 1.508(3) .
C27 C30 1.518(3) .
C2 C3 1.373(3) .
C6 C5 1.352(3) .
C31 C32 1.381(3) .
C25 C29 1.511(3) .
F6 P2 1.5889(18) .
C10 C9 1.416(3) .
C16 C20 1.503(3) .
C35 C34 1.381(3) .
P2 F6 1.5890(18) 2_565
P2 F4 1.5922(15) 2_565
P2 F5 1.6013(14) 2_565
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
N3 Cu1 N1 C1 1.2(3)
N2 Cu1 N1 C1 -175.75(19)
N3 Cu1 N1 C12 -174.73(15)
N2 Cu1 N1 C12 8.34(14)
N1 Cu1 N3 C35 125.16(19)
N2 Cu1 N3 C35 -58.7(2)
N1 Cu1 N3 C31 -60.9(3)
N2 Cu1 N3 C31 115.24(18)
N3 Cu1 N2 C10 -0.6(2)
N1 Cu1 N2 C10 177.4(2)
N3 Cu1 N2 C11 172.80(13)
N1 Cu1 N2 C11 -9.16(14)
C10 N2 C11 C7 1.4(3)
Cu1 N2 C11 C7 -172.87(17)
C10 N2 C11 C12 -177.18(19)
Cu1 N2 C11 C12 8.6(2)
C12 N1 C1 C2 -1.0(3)
Cu1 N1 C1 C2 -176.74(16)
C12 N1 C1 C13 178.82(18)
Cu1 N1 C1 C13 3.1(3)
C14 C13 C1 N1 74.6(3)
C18 C13 C1 N1 -100.8(2)
C14 C13 C1 C2 -105.6(3)
C18 C13 C1 C2 79.0(3)
C1 N1 C12 C4 -0.9(3)
Cu1 N1 C12 C4 175.34(16)
C1 N1 C12 C11 177.44(19)
Cu1 N1 C12 C11 -6.3(2)
C3 C4 C12 N1 2.1(3)
C5 C4 C12 N1 -178.5(2)
C3 C4 C12 C11 -176.2(2)
C5 C4 C12 C11 3.2(3)
N2 C11 C12 N1 -1.9(3)
C7 C11 C12 N1 179.43(19)
N2 C11 C12 C4 176.49(19)
C7 C11 C12 C4 -2.1(3)
N2 C11 C7 C8 -0.7(3)
C12 C11 C7 C8 177.8(2)
N2 C11 C7 C6 -179.1(2)
C12 C11 C7 C6 -0.6(3)
C11 C7 C8 C9 -0.3(3)
C6 C7 C8 C9 177.9(2)
C25 C24 C23 C22 0.0(3)
C25 C24 C23 C28 -179.0(2)
C27 C22 C23 C24 -1.2(3)
C10 C22 C23 C24 175.68(19)
C27 C22 C23 C28 177.7(2)
C10 C22 C23 C28 -5.4(3)
C16 C17 C18 C13 0.6(4)
C16 C17 C18 C21 178.2(2)
C14 C13 C18 C17 -1.2(3)
C1 C13 C18 C17 174.2(2)
C14 C13 C18 C21 -178.8(2)
C1 C13 C18 C21 -3.4(3)
C16 C15 C14 C13 -0.6(3)
C16 C15 C14 C19 179.7(2)
C18 C13 C14 C15 1.2(3)
C1 C13 C14 C15 -174.2(2)
C18 C13 C14 C19 -179.1(2)
C1 C13 C14 C19 5.5(3)
C25 C26 C27 C22 -0.4(3)
C25 C26 C27 C30 -178.5(2)
C23 C22 C27 C26 1.4(3)
C10 C22 C27 C26 -175.44(19)
C23 C22 C27 C30 179.5(2)
C10 C22 C27 C30 2.6(3)
N1 C1 C2 C3 1.7(3)
C13 C1 C2 C3 -178.1(2)
C11 C7 C6 C5 2.2(3)
C8 C7 C6 C5 -176.0(2)
C35 N3 C31 C32 0.6(4)
Cu1 N3 C31 C32 -173.58(18)
C34 C33 C32 C31 -2.0(4)
I1 C33 C32 C31 177.08(18)
N3 C31 C32 C33 0.7(4)
C23 C24 C25 C26 1.0(3)
C23 C24 C25 C29 -179.1(2)
C27 C26 C25 C24 -0.7(3)
C27 C26 C25 C29 179.3(2)
C11 N2 C10 C9 -1.0(3)
Cu1 N2 C10 C9 171.94(16)
C11 N2 C10 C22 177.94(19)
Cu1 N2 C10 C22 -9.1(3)
C27 C22 C10 N2 116.2(2)
C23 C22 C10 N2 -60.7(3)
C27 C22 C10 C9 -64.9(3)
C23 C22 C10 C9 118.2(2)
C18 C17 C16 C15 0.0(4)
C18 C17 C16 C20 178.9(2)
C14 C15 C16 C17 0.0(4)
C14 C15 C16 C20 -178.9(2)
C31 N3 C35 C34 -0.6(4)
Cu1 N3 C35 C34 173.7(2)
C7 C6 C5 C4 -1.2(4)
C12 C4 C5 C6 -1.6(3)
C3 C4 C5 C6 177.8(2)
C1 C2 C3 C4 -0.4(4)
C12 C4 C3 C2 -1.4(3)
C5 C4 C3 C2 179.3(2)
C7 C8 C9 C10 0.7(4)
N2 C10 C9 C8 0.0(3)
C22 C10 C9 C8 -178.9(2)
N3 C35 C34 C33 -0.8(4)
C32 C33 C34 C35 2.0(4)
I1 C33 C34 C35 -177.00(19)
