#------------------------------------------------------------------------------
#$Date: 2017-05-04 09:48:50 +0300 (Thu, 04 May 2017) $
#$Revision: 195981 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/58/4345812.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_4345812
loop_
_publ_author_name
'Loukopoulos, Edward'
'Kallitsakis, Michael'
'Tsoureas, Nikolaos'
'Abdul-Sada, Alaa'
'Chilton, Nicholas F.'
'Lykakis, Ioannis N.'
'Kostakis, George E.'
_publ_section_title
;
 Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4898
_journal_page_last               4910
_journal_paper_doi               10.1021/acs.inorgchem.6b03084
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C40 H32 Cu N12, 2(C F3 O3 S)'
_chemical_formula_sum            'C42 H32 Cu F6 N12 O6 S2'
_chemical_formula_weight         1042.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-10-19
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                115.336(5)
_cell_angle_beta                 104.428(4)
_cell_angle_gamma                93.558(3)
_cell_formula_units_Z            1
_cell_length_a                   9.0095(3)
_cell_length_b                   11.1490(4)
_cell_length_c                   12.0186(6)
_cell_measurement_reflns_used    8300
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.7040
_cell_measurement_theta_min      2.0640
_cell_volume                     1036.89(9)
_computing_data_collection
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type
;
Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC10 goniometer and HG Saturn 724+ detector
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17458
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.583
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    0.722
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       plate
_exptl_crystal_F_000             531
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.897
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0621P)²+0.2424P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1153
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3566
_reflns_number_total             4736
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b03084_si_002.cif
_cod_data_source_block           2016ncs0529za
_cod_original_cell_volume        1036.89(8)
_cod_database_code               4345812
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.209
_oxdiff_exptl_absorpt_empirical_full_max 2.516
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C16(H16), C2(H2), C5(H5), C12(H12), C19(H19), C18(H18), C10(H10),
 C3(H3), C17(H17), C4(H4), C11(H11)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cu1 Cu 0.5000 0.5000 0.5000 0.01209(13) Uani 1 2 d S T P
S002 S 0.53660(7) 0.86822(6) 0.72788(6) 0.01392(16) Uani 1 1 d . . .
F3 F 0.65638(18) 1.08729(15) 0.94886(15) 0.0230(4) Uani 1 1 d . . .
F2 F 0.81223(17) 0.94710(16) 0.90523(16) 0.0230(4) Uani 1 1 d . . .
F1 F 0.62045(18) 0.90446(16) 0.96717(16) 0.0240(4) Uani 1 1 d . . .
O1 O 0.55124(19) 0.72904(16) 0.69305(17) 0.0151(4) Uani 1 1 d . . .
O2 O 0.3876(2) 0.89988(18) 0.74038(19) 0.0230(5) Uani 1 1 d . . .
O3 O 0.6065(2) 0.92901(19) 0.66493(19) 0.0260(5) Uani 1 1 d . . .
N3 N 0.3526(2) 0.2528(2) 0.6333(2) 0.0125(5) Uani 1 1 d . . .
N4 N -0.1043(2) 0.3592(2) 0.5594(2) 0.0124(5) Uani 1 1 d . . .
N6 N -0.2759(2) 0.4831(2) 0.5580(2) 0.0126(5) Uani 1 1 d . . .
N5 N -0.2561(2) 0.3580(2) 0.5165(2) 0.0127(5) Uani 1 1 d . . .
N1 N 0.4531(2) 0.4162(2) 0.6092(2) 0.0129(5) Uani 1 1 d . . .
N2 N 0.3431(2) 0.3069(2) 0.5527(2) 0.0132(5) Uani 1 1 d . . .
C8 C 0.1267(3) 0.1467(2) 0.6663(3) 0.0128(5) Uani 1 1 d . . .
C13 C -0.0074(3) 0.1989(2) 0.6369(3) 0.0136(6) Uani 1 1 d . . .
C1 C 0.5354(3) 0.4338(2) 0.7305(3) 0.0127(5) Uani 1 1 d . . .
C6 C 0.4712(3) 0.3267(2) 0.7463(3) 0.0140(5) Uani 1 1 d . . .
C20 C -0.1328(3) 0.5691(2) 0.6307(2) 0.0113(5) Uani 1 1 d . . .
C9 C 0.1512(3) 0.1118(2) 0.7667(3) 0.0172(6) Uani 1 1 d . . .
H9 H 0.2388 0.0760 0.7862 0.021 Uiso 1 1 calc R . .
C15 C -0.0224(3) 0.4880(2) 0.6330(2) 0.0117(5) Uani 1 1 d . . .
C16 C 0.1371(3) 0.5405(2) 0.6998(2) 0.0136(5) Uani 1 1 d . . .
H16 H 0.2099 0.4850 0.7004 0.016 Uiso 1 1 calc R . .
C2 C 0.6607(3) 0.5339(3) 0.8287(3) 0.0173(6) Uani 1 1 d . . .
H2 H 0.7026 0.6071 0.8206 0.021 Uiso 1 1 calc R . .
C5 C 0.5302(3) 0.3105(3) 0.8564(3) 0.0190(6) Uani 1 1 d . . .
H5 H 0.4878 0.2381 0.8653 0.023 Uiso 1 1 calc R . .
C12 C -0.1105(3) 0.2150(3) 0.7087(3) 0.0197(6) Uani 1 1 d . . .
H12 H -0.1993 0.2495 0.6892 0.024 Uiso 1 1 calc R . .
C14 C -0.0474(3) 0.2326(2) 0.5247(3) 0.0147(6) Uani 1 1 d . . .
H14A H 0.0448 0.2395 0.4983 0.018 Uiso 1 1 calc R . .
H14B H -0.1268 0.1600 0.4519 0.018 Uiso 1 1 calc R . .
C19 C -0.0885(3) 0.7109(2) 0.6978(2) 0.0133(5) Uani 1 1 d . . .
H19 H -0.1609 0.7670 0.6983 0.016 Uiso 1 1 calc R . .
C7 C 0.2459(3) 0.1262(2) 0.5929(3) 0.0148(6) Uani 1 1 d . . .
H7A H 0.3064 0.0621 0.6067 0.018 Uiso 1 1 calc R . .
H7B H 0.1913 0.0876 0.5012 0.018 Uiso 1 1 calc R . .
C18 C 0.0675(3) 0.7617(3) 0.7626(3) 0.0159(6) Uani 1 1 d . . .
H18 H 0.1013 0.8550 0.8076 0.019 Uiso 1 1 calc R . .
C21 C 0.6619(3) 0.9560(3) 0.8956(3) 0.0164(6) Uani 1 1 d . . .
C10 C 0.0479(3) 0.1292(3) 0.8384(3) 0.0197(6) Uani 1 1 d . . .
H10 H 0.0669 0.1064 0.9059 0.024 Uiso 1 1 calc R . .
C3 C 0.7180(3) 0.5177(3) 0.9377(3) 0.0198(6) Uani 1 1 d . . .
H3 H 0.8015 0.5816 1.0050 0.024 Uiso 1 1 calc R . .
C17 C 0.1787(3) 0.6788(2) 0.7641(3) 0.0158(6) Uani 1 1 d . . .
H17 H 0.2830 0.7188 0.8099 0.019 Uiso 1 1 calc R . .
C4 C 0.6539(3) 0.4070(3) 0.9508(3) 0.0215(6) Uani 1 1 d . . .
H4 H 0.6975 0.3999 1.0259 0.026 Uiso 1 1 calc R . .
C11 C -0.0832(3) 0.1807(3) 0.8085(3) 0.0213(6) Uani 1 1 d . . .
H11 H -0.1534 0.1922 0.8557 0.026 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'
Cu Cu 0.3201 1.2651 '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'
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'
S S 0.1246 0.1234 '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
N6 Cu1 N6 180.0 1_655 2_566
N1 Cu1 N6 92.07(8) . 2_566
N1 Cu1 N6 92.07(8) 2_666 1_655
N1 Cu1 N6 87.93(8) 2_666 2_566
N1 Cu1 N6 87.93(8) . 1_655
N1 Cu1 N1 180.0 2_666 .
O1 S002 C21 101.94(11) . .
O2 S002 O1 115.69(11) . .
O2 S002 C21 101.99(13) . .
O3 S002 O1 115.32(12) . .
O3 S002 O2 115.42(12) . .
O3 S002 C21 103.45(12) . .
N2 N3 C6 111.49(18) . .
N2 N3 C7 119.76(19) . .
C6 N3 C7 128.7(2) . .
N5 N4 C15 110.8(2) . .
N5 N4 C14 120.20(19) . .
C15 N4 C14 129.0(2) . .
N5 N6 Cu1 113.49(14) . 1_455
N5 N6 C20 109.18(19) . .
C20 N6 Cu1 137.33(17) . 1_455
N6 N5 N4 108.23(18) . .
N2 N1 Cu1 117.92(16) . .
N2 N1 C1 109.04(19) . .
C1 N1 Cu1 131.60(16) . .
N1 N2 N3 108.07(18) . .
C13 C8 C7 122.9(2) . .
C9 C8 C13 118.5(3) . .
C9 C8 C7 118.6(2) . .
C8 C13 C14 121.9(3) . .
C12 C13 C8 119.4(2) . .
C12 C13 C14 118.6(2) . .
N1 C1 C6 107.4(2) . .
N1 C1 C2 131.6(2) . .
C6 C1 C2 121.0(2) . .
N3 C6 C1 104.0(2) . .
N3 C6 C5 133.4(2) . .
C5 C6 C1 122.6(2) . .
N6 C20 C15 106.8(2) . .
N6 C20 C19 132.5(2) . .
C15 C20 C19 120.7(2) . .
C8 C9 H9 119.2 . .
C10 C9 C8 121.5(2) . .
C10 C9 H9 119.2 . .
N4 C15 C20 105.0(2) . .
N4 C15 C16 132.0(2) . .
C20 C15 C16 123.0(2) . .
C15 C16 H16 122.1 . .
C17 C16 C15 115.7(2) . .
C17 C16 H16 122.1 . .
C1 C2 H2 121.9 . .
C3 C2 C1 116.1(2) . .
C3 C2 H2 121.9 . .
C6 C5 H5 121.9 . .
C4 C5 C6 116.1(2) . .
C4 C5 H5 121.9 . .
C13 C12 H12 119.5 . .
C11 C12 C13 121.1(2) . .
C11 C12 H12 119.5 . .
N4 C14 C13 111.5(2) . .
N4 C14 H14A 109.3 . .
N4 C14 H14B 109.3 . .
C13 C14 H14A 109.3 . .
C13 C14 H14B 109.3 . .
H14A C14 H14B 108.0 . .
C20 C19 H19 121.9 . .
C18 C19 C20 116.1(2) . .
C18 C19 H19 121.9 . .
N3 C7 C8 112.7(2) . .
N3 C7 H7A 109.0 . .
N3 C7 H7B 109.0 . .
C8 C7 H7A 109.0 . .
C8 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
C19 C18 H18 118.6 . .
C19 C18 C17 122.9(2) . .
C17 C18 H18 118.6 . .
F3 C21 S002 111.22(16) . .
F3 C21 F2 106.90(19) . .
F2 C21 S002 111.9(2) . .
F1 C21 S002 111.64(17) . .
F1 C21 F3 108.1(2) . .
F1 C21 F2 106.86(19) . .
C9 C10 H10 120.3 . .
C11 C10 C9 119.3(2) . .
C11 C10 H10 120.3 . .
C2 C3 H3 118.9 . .
C2 C3 C4 122.2(2) . .
C4 C3 H3 118.9 . .
C16 C17 C18 121.6(2) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C5 C4 C3 122.0(2) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C12 C11 H11 119.9 . .
C10 C11 C12 120.1(3) . .
C10 C11 H11 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N6 2.014(2) 1_655
Cu1 N6 2.014(2) 2_566
Cu1 N1 2.013(2) 2_666
Cu1 N1 2.013(2) .
S002 O1 1.4483(17) .
S002 O2 1.436(2) .
S002 O3 1.432(2) .
S002 C21 1.826(3) .
F3 C21 1.333(3) .
F2 C21 1.344(3) .
F1 C21 1.328(3) .
N3 N2 1.332(3) .
N3 C6 1.370(3) .
N3 C7 1.472(3) .
N4 N5 1.333(3) .
N4 C15 1.358(3) .
N4 C14 1.457(3) .
N6 Cu1 2.014(2) 1_455
N6 N5 1.306(3) .
N6 C20 1.384(3) .
N1 N2 1.317(3) .
N1 C1 1.383(3) .
C8 C13 1.405(3) .
C8 C9 1.392(3) .
C8 C7 1.521(4) .
C13 C12 1.388(4) .
C13 C14 1.516(3) .
C1 C6 1.400(3) .
C1 C2 1.401(3) .
C6 C5 1.390(3) .
C20 C15 1.388(3) .
C20 C19 1.407(3) .
C9 H9 0.9300 .
C9 C10 1.387(4) .
C15 C16 1.404(3) .
C16 H16 0.9300 .
C16 C17 1.371(3) .
C2 H2 0.9300 .
C2 C3 1.375(3) .
C5 H5 0.9300 .
C5 C4 1.365(4) .
C12 H12 0.9300 .
C12 C11 1.380(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C19 H19 0.9300 .
C19 C18 1.372(3) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C18 H18 0.9300 .
C18 C17 1.407(4) .
C10 H10 0.9300 .
C10 C11 1.380(4) .
C3 H3 0.9300 .
C3 C4 1.415(4) .
C17 H17 0.9300 .
C4 H4 0.9300 .
C11 H11 0.9300 .
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
Cu1 N6 N5 N4 179.39(15) 1_455
Cu1 N6 C20 C15 179.7(2) 1_455
Cu1 N6 C20 C19 1.5(5) 1_455
Cu1 N1 N2 N3 167.40(16) .
Cu1 N1 C1 C6 -164.83(19) .
Cu1 N1 C1 C2 15.3(5) .
O1 S002 C21 F3 -176.07(18) .
O1 S002 C21 F2 64.48(18) .
O1 S002 C21 F1 -55.2(2) .
O2 S002 C21 F3 -56.2(2) .
O2 S002 C21 F2 -175.66(16) .
O2 S002 C21 F1 64.7(2) .
O3 S002 C21 F3 63.9(2) .
O3 S002 C21 F2 -55.52(19) .
O3 S002 C21 F1 -175.20(19) .
N3 C6 C5 C4 179.1(3) .
N4 C15 C16 C17 179.4(3) .
N6 C20 C15 N4 1.6(3) .
N6 C20 C15 C16 -179.1(2) .
N6 C20 C19 C18 178.8(3) .
N5 N4 C15 C20 -1.7(3) .
N5 N4 C15 C16 179.0(3) .
N5 N4 C14 C13 -104.7(2) .
N5 N6 C20 C15 -0.9(3) .
N5 N6 C20 C19 -179.1(3) .
N1 C1 C6 N3 -0.8(3) .
N1 C1 C6 C5 177.7(3) .
N1 C1 C2 C3 -178.2(3) .
N2 N3 C6 C1 0.5(3) .
N2 N3 C6 C5 -177.8(3) .
N2 N3 C7 C8 -110.4(3) .
N2 N1 C1 C6 0.8(3) .
N2 N1 C1 C2 -179.1(3) .
C8 C13 C12 C11 0.1(4) .
C8 C13 C14 N4 -138.6(2) .
C8 C9 C10 C11 0.8(4) .
C13 C8 C9 C10 -0.9(4) .
C13 C8 C7 N3 78.6(3) .
C13 C12 C11 C10 -0.1(4) .
C1 N1 N2 N3 -0.5(3) .
C1 C6 C5 C4 1.1(4) .
C1 C2 C3 C4 -0.4(4) .
C6 N3 N2 N1 0.0(3) .
C6 N3 C7 C8 71.9(3) .
C6 C1 C2 C3 1.9(4) .
C6 C5 C4 C3 0.4(5) .
C20 N6 N5 N4 -0.2(3) .
C20 C15 C16 C17 0.2(4) .
C20 C19 C18 C17 -0.6(4) .
C9 C8 C13 C12 0.4(3) .
C9 C8 C13 C14 -176.8(2) .
C9 C8 C7 N3 -101.6(2) .
C9 C10 C11 C12 -0.3(4) .
C15 N4 N5 N6 1.2(3) .
C15 N4 C14 C13 75.8(3) .
C15 C20 C19 C18 0.8(4) .
C15 C16 C17 C18 0.1(4) .
C2 C1 C6 N3 179.1(2) .
C2 C1 C6 C5 -2.4(4) .
C2 C3 C4 C5 -0.8(5) .
C12 C13 C14 N4 44.3(3) .
C14 N4 N5 N6 -178.4(2) .
C14 N4 C15 C20 177.8(3) .
C14 N4 C15 C16 -1.5(5) .
C14 C13 C12 C11 177.3(2) .
C19 C20 C15 N4 -180.0(2) .
C19 C20 C15 C16 -0.6(4) .
C19 C18 C17 C16 0.2(4) .
C7 N3 N2 N1 -178.1(2) .
C7 N3 C6 C1 178.4(2) .
C7 N3 C6 C5 0.1(5) .
C7 C8 C13 C12 -179.8(2) .
C7 C8 C13 C14 3.0(3) .
C7 C8 C9 C10 179.3(2) .
